data_2m7v_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 2m7v _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 59.3 t0 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.836 0.351 . . . . 0.0 110.558 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 65.8 ttt180 -55.67 -30.71 61.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.561 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 2.5 mm100 -70.31 -31.99 69.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.694 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -56.63 -55.18 37.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.595 -179.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 20.7 pt -59.75 -32.32 49.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.663 -179.04 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 444' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -78.22 -50.34 12.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.658 -179.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -55.77 -23.2 28.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.64 179.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 446' ' ' THR . . . . . . . . . . . . . 74.2 m -73.17 -58.92 2.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.68 -179.47 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 447' ' ' LEU . . . . . 0.421 ' H ' ' HG ' ' A' ' 447' ' ' LEU . 16.9 mt -39.81 -57.61 1.53 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.694 -179.291 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 448' ' ' VAL . . . . . . . . . . . . . 7.5 p -57.68 -38.44 64.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.648 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -56.11 -44.69 79.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.687 178.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 450' ' ' LYS . . . . . . . . . . . . . 49.0 mttm -71.92 -40.9 68.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.603 178.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . -49.2 -50.29 28.85 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 452' ' ' ARG . . . . . . . . . . . . . 66.0 ttp85 -57.51 -42.97 83.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.784 0.326 . . . . 0.0 110.631 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 39.9 tp10 -75.74 -36.49 59.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.633 -179.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 44.2 mt -68.92 -58.97 3.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.65 -179.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 455' ' ' LEU . . . . . . . . . . . . . 96.4 mt -70.02 -25.43 63.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.54 179.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . 60.88 42.35 13.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.648 -176.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 457' ' ' CYS . . . . . 0.549 ' SG ' ' NH1' ' A' ' 559' ' ' ARG . 97.0 m -91.29 -159.16 0.61 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.542 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 458' ' ' ASP . . . . . 0.445 ' OD2' ' OG ' ' A' ' 556' ' ' SER . 64.3 m-20 -116.01 -27.47 6.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.638 -178.569 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 459' ' ' ARG . . . . . 0.42 ' O ' ' O ' ' A' ' 553' ' ' HIS . 6.8 ttp180 -148.54 142.4 25.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.771 179.776 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 460' ' ' VAL . . . . . . . . . . . . . 60.7 t -147.91 144.48 19.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.334 -179.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 461' ' ' ILE . . . . . . . . . . . . . 13.5 pt -142.39 150.27 18.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.867 0.365 . . . . 0.0 110.849 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 462' ' ' VAL . . . . . . . . . . . . . 47.8 t -110.5 133.11 57.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.35 179.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 463' ' ' TYR . . . . . 0.568 ' CE1' ' CD1' ' A' ' 551' ' ' ILE . 0.9 OUTLIER -146.23 143.52 29.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.753 -178.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 464' ' ' ALA . . . . . . . . . . . . . . . -135.73 164.81 27.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.388 178.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 465' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -104.3 103.69 13.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.611 -179.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 466' ' ' ASP . . . . . 0.596 ' CG ' ' H ' ' A' ' 467' ' ' ASP . 31.5 t0 -72.25 -156.96 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.598 178.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 467' ' ' ASP . . . . . 0.596 ' H ' ' CG ' ' A' ' 466' ' ' ASP . 84.4 m-20 -85.19 18.03 2.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.529 -179.756 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 468' ' ' ASN . . . . . . . . . . . . . 10.0 m-20 -127.25 7.67 6.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.605 -178.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 469' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 61.42 18.1 9.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.562 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 470' ' ' VAL . . . . . . . . . . . . . 89.7 t -103.4 137.96 29.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.613 179.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -62.23 97.72 0.17 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 472' ' ' THR . . . . . . . . . . . . . 50.8 m -56.62 132.43 51.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.791 0.329 . . . . 0.0 110.673 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 473' ' ' VAL . . . . . . . . . . . . . 5.1 m -79.54 70.7 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.565 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 2.4 t -59.53 -66.78 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.632 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -154.56 146.01 23.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.585 179.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 476' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -124.91 131.76 53.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.605 179.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 12.2 t -133.06 115.33 14.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.529 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 478' ' ' VAL . . . . . . . . . . . . . 8.9 m -125.07 128.94 73.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.638 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 479' ' ' ALA . . . . . . . . . . . . . . . -57.28 166.64 1.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.551 179.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -60.89 143.2 55.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.518 -179.249 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 100.85 -29.94 11.38 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.921 -0.871 . . . . 0.0 110.921 178.009 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 482' ' ' TRP . . . . . . . . . . . . . 10.4 m95 -100.88 142.33 24.41 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 120.877 0.37 . . . . 0.0 110.669 178.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 483' ' ' PRO . . . . . 0.447 ' CD ' ' HZ2' ' A' ' 531' ' ' LYS . 62.8 Cg_endo -74.06 166.0 30.67 Favored 'Trans proline' 0 C--N 1.304 -1.807 0 C-N-CA 122.856 2.371 . . . . 0.0 112.078 -179.478 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -78.86 118.64 21.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.627 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -76.56 -9.94 59.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.496 -179.056 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 486' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -53.36 -23.86 10.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.581 -179.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 487' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -71.36 -10.25 59.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.542 -179.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 488' ' ' GLN . . . . . 0.471 ' NE2' ' CD2' ' A' ' 530' ' ' LEU . 23.4 mt-30 -108.59 115.23 29.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.526 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 489' ' ' VAL . . . . . . . . . . . . . 61.9 t -92.32 112.82 26.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.529 179.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 490' ' ' ILE . . . . . 0.414 HD12 HG23 ' A' ' 490' ' ' ILE . 65.0 mt -46.32 105.02 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.544 -179.432 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -79.42 -33.66 42.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.561 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 492' ' ' ASP . . . . . . . . . . . . . 39.5 t0 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.591 -179.65 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 . . . . . 0 N--CA 1.458 -0.065 0 CA-C-O 120.815 0.34 . . . . 0.0 110.573 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 49.9 ttt85 -60.65 -17.8 49.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.544 -179.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -107.24 -0.68 22.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.582 -178.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . 81.92 37.75 15.3 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.941 -0.863 . . . . 0.0 110.941 179.161 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 507' ' ' ARG . . . . . . . . . . . . . 24.2 ttm180 -72.17 146.03 47.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.815 0.341 . . . . 0.0 110.59 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 69.3 mt -108.1 124.83 64.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.497 179.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 509' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -114.39 119.8 38.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.561 -178.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 510' ' ' ALA . . . . . . . . . . . . . . . -128.93 101.45 6.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.664 178.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 511' ' ' THR . . . . . . . . . . . . . 4.4 m -111.18 105.12 13.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.581 -179.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 512' ' ' THR . . . . . . . . . . . . . 41.4 p -52.41 -20.28 2.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.508 179.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 513' ' ' ASP . . . . . 0.423 ' OD1' ' O ' ' A' ' 513' ' ' ASP . 12.1 p30 -169.0 116.86 0.65 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.48 -178.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 514' ' ' ILE . . . . . . . . . . . . . 84.6 mt -68.06 -0.38 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.552 179.045 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 515' ' ' PHE . . . . . 0.4 ' H ' ' C ' ' A' ' 513' ' ' ASP . 6.9 m-85 -74.8 -30.77 61.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.529 -179.151 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 85.0 mttt -95.2 28.42 2.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.562 179.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -133.85 139.63 46.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.479 -177.035 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . 46.53 48.86 16.6 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 176.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 519' ' ' LEU . . . . . 0.452 ' O ' ' OG1' ' A' ' 520' ' ' THR . 7.5 mt -59.96 159.83 8.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.814 0.34 . . . . 0.0 110.627 177.473 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 520' ' ' THR . . . . . 0.452 ' OG1' ' O ' ' A' ' 519' ' ' LEU . 5.6 p 60.58 26.66 16.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.562 179.197 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -144.91 165.9 26.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.468 179.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 522' ' ' CYS . . . . . 0.707 ' O ' ' CG ' ' A' ' 523' ' ' HIS . 0.8 OUTLIER -59.23 120.39 9.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.494 178.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 523' ' ' HIS . . . . . 0.707 ' CG ' ' O ' ' A' ' 522' ' ' CYS . 16.1 m170 -172.81 -81.22 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.665 -178.3 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 524' ' ' LEU . . . . . 0.588 ' O ' ' HB2' ' A' ' 528' ' ' ARG . 0.8 OUTLIER -50.51 -37.45 39.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.777 178.731 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 525' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 -57.15 -43.25 82.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.676 -177.004 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 526' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -96.46 -7.78 33.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.541 -178.149 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 14.3 mt -105.09 -19.22 13.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.58 -178.331 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 528' ' ' ARG . . . . . 0.619 ' N ' ' CD ' ' A' ' 529' ' ' PRO . 0.6 OUTLIER -66.75 -46.11 55.95 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.301 -178.583 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 529' ' ' PRO . . . . . 0.619 ' CD ' ' N ' ' A' ' 528' ' ' ARG . 45.7 Cg_exo -53.99 -47.08 29.04 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.821 2.348 . . . . 0.0 112.193 -176.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 530' ' ' LEU . . . . . 0.471 ' CD2' ' NE2' ' A' ' 488' ' ' GLN . 87.6 mt -67.47 -7.88 29.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.673 -178.067 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 531' ' ' LYS . . . . . 0.447 ' HZ2' ' CD ' ' A' ' 483' ' ' PRO . 28.7 mtmt 60.84 27.44 17.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.538 178.505 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 532' ' ' VAL . . . . . 0.447 ' O ' ' CG2' ' A' ' 532' ' ' VAL . 25.7 m -75.82 108.78 8.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.633 179.209 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -94.93 -16.45 22.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.371 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -130.93 139.18 50.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.106 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -128.13 119.55 25.53 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.675 -0.41 . . . . 0.0 111.17 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 536' ' ' LEU . . . . . . . . . . . . . 58.8 tp -133.11 128.31 35.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.89 177.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 58.6 t -130.05 147.67 33.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.059 0.457 . . . . 0.0 111.111 -177.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 538' ' ' VAL . . . . . . . . . . . . . 28.8 m -140.25 132.21 14.47 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.064 178.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 539' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -71.97 134.66 23.9 Favored 'Trans proline' 0 C--N 1.304 -1.801 0 C-N-CA 122.756 2.304 . . . . 0.0 112.5 -175.215 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 540' ' ' MET . . . . . 0.53 ' SD ' ' O ' ' A' ' 573' ' ' ALA . 7.8 ttt -130.15 117.08 19.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.105 176.664 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 541' ' ' VAL . . . . . . . . . . . . . 23.3 m . . . . . 0 C--N 1.329 -0.315 0 CA-C-O 120.962 0.41 . . . . 0.0 111.142 -175.973 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 546' ' ' LEU . . . . . . . . . . . . . 25.3 tp . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.774 0.321 . . . . 0.0 110.579 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 547' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -113.9 -53.49 2.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.56 -179.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -173.52 -178.03 43.18 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 549' ' ' LEU . . . . . . . . . . . . . 4.9 mp -142.69 142.57 32.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.892 0.377 . . . . 0.0 110.548 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 550' ' ' LEU . . . . . 0.53 ' CD1' ' N ' ' A' ' 550' ' ' LEU . 7.7 mp -95.33 126.35 40.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.283 179.542 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 551' ' ' ILE . . . . . 0.568 ' CD1' ' CE1' ' A' ' 463' ' ' TYR . 4.5 mt -118.66 140.89 40.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.869 -179.144 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -124.53 114.08 18.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.229 178.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 553' ' ' HIS . . . . . 0.535 ' CE1' ' CG2' ' A' ' 551' ' ' ILE . 54.5 m80 -109.71 129.18 55.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.804 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 554' ' ' GLN . . . . . 0.446 ' CD ' ' O ' ' A' ' 557' ' ' GLU . 39.3 tt0 -91.88 117.11 29.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.668 174.54 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -91.25 -3.78 56.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.483 -175.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 556' ' ' SER . . . . . 0.445 ' OG ' ' OD2' ' A' ' 458' ' ' ASP . 1.5 m -97.86 -30.96 12.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.568 -178.39 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 557' ' ' GLU . . . . . 0.446 ' O ' ' CD ' ' A' ' 554' ' ' GLN . 4.7 pt-20 174.63 150.25 0.26 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.366 -178.564 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 558' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -72.5 125.84 11.02 Favored 'Trans proline' 0 C--N 1.305 -1.749 0 C-N-CA 122.785 2.323 . . . . 0.0 112.278 178.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 559' ' ' ARG . . . . . 0.549 ' NH1' ' SG ' ' A' ' 457' ' ' CYS . 16.8 ptm180 -116.22 140.77 48.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.325 -177.159 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 560' ' ' GLN . . . . . . . . . . . . . 43.2 tp60 -78.57 117.08 19.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.605 176.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 561' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -59.74 147.75 36.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.341 -177.068 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -94.07 139.27 31.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.801 177.816 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 563' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -47.8 -42.89 27.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.536 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 564' ' ' ILE . . . . . . . . . . . . . 5.8 mm -74.55 -35.56 38.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.529 179.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 88.2 mt-10 -66.03 -35.87 81.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.579 -178.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 566' ' ' ILE . . . . . . . . . . . . . 96.6 mt -67.67 -48.31 76.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.597 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 58.2 t0 -61.16 -46.23 91.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.588 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 568' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -62.18 -44.12 97.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.526 -179.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 569' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -65.65 -42.32 91.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.502 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 91.3 p -60.45 -32.89 71.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.556 177.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 62.4 mm-40 -66.02 -40.25 90.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.498 177.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 14.7 tp -57.87 -43.77 86.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.485 178.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 573' ' ' ALA . . . . . 0.53 ' O ' ' SD ' ' A' ' 540' ' ' MET . . . -66.7 -45.21 79.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.446 179.481 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 574' ' ' SER . . . . . . . . . . . . . 28.5 m -58.54 -32.1 68.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.538 179.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 24.0 m -61.74 -46.19 90.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.591 -179.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -48.09 -38.13 17.66 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 179.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 19.4 m -58.51 -38.62 78.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.794 0.33 . . . . 0.0 110.516 178.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 57.5 mt -55.66 -50.64 69.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.594 178.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 86.4 t -68.89 -52.67 32.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.545 -178.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 580' ' ' LEU . . . . . 0.493 ' O ' ' N ' ' A' ' 584' ' ' HIS . 95.6 mt -54.13 -43.5 70.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.491 -179.169 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -55.52 -40.53 71.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.706 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 582' ' ' ARG . . . . . . . . . . . . . 68.4 mtm180 -74.3 -50.98 16.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.665 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 10.8 mp -68.37 -52.68 30.43 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.652 -179.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 584' ' ' HIS . . . . . 0.561 ' O ' ' NE2' ' A' ' 588' ' ' GLN . 83.4 t60 -46.87 -38.65 10.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.654 -179.08 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 585' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -81.96 -52.82 6.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.574 -179.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 39.7 mt -61.34 -44.71 96.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.712 -178.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 587' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -59.07 -46.86 87.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.618 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 588' ' ' GLN . . . . . 0.66 ' NE2' ' N ' ' A' ' 588' ' ' GLN . 0.3 OUTLIER -68.29 -46.9 69.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.733 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 589' ' ' THR . . . . . . . . . . . . . 53.1 m -58.44 -34.58 70.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.645 -178.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 590' ' ' ILE . . . . . . . . . . . . . 12.4 mt . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.537 -179.185 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 439' ' ' ASP . . . . . 0.532 ' CG ' ' H ' ' A' ' 440' ' ' ARG . 42.3 t0 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.726 0.298 . . . . 0.0 110.654 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 440' ' ' ARG . . . . . 0.532 ' H ' ' CG ' ' A' ' 439' ' ' ASP . 46.3 ttp180 -54.86 -32.65 60.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.562 -179.823 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 2.2 mm100 -69.83 -34.5 73.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.692 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -56.77 -55.22 37.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.656 -179.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 23.7 pt -59.21 -30.73 44.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.628 -178.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 444' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -79.58 -50.4 10.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.698 -179.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -55.94 -24.23 36.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.683 179.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 446' ' ' THR . . . . . 0.441 ' O ' ' N ' ' A' ' 449' ' ' ALA . 91.1 m -72.86 -59.26 2.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.658 -179.224 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 447' ' ' LEU . . . . . 0.428 ' H ' ' HG ' ' A' ' 447' ' ' LEU . 16.4 mt -38.65 -56.59 1.3 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.568 -179.61 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 448' ' ' VAL . . . . . . . . . . . . . 4.4 p -58.09 -37.56 62.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.666 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 449' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 446' ' ' THR . . . -57.28 -46.18 83.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.608 179.357 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 450' ' ' LYS . . . . . . . . . . . . . 50.1 mttm -70.96 -42.62 69.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.644 179.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . -48.34 -48.61 27.01 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 452' ' ' ARG . . . . . . . . . . . . . 70.4 ttp85 -57.75 -43.71 85.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.79 0.329 . . . . 0.0 110.607 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -74.63 -38.05 62.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.63 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 37.8 mt -67.59 -58.04 5.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.643 -179.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 455' ' ' LEU . . . . . . . . . . . . . 94.5 mt -70.19 -25.44 63.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.555 179.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . 61.06 42.72 12.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.637 -177.092 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 457' ' ' CYS . . . . . 0.59 ' SG ' ' NH1' ' A' ' 559' ' ' ARG . 98.7 m -91.47 -158.91 0.6 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.463 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -118.04 -27.15 6.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.631 -178.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 459' ' ' ARG . . . . . 0.449 ' O ' ' O ' ' A' ' 553' ' ' HIS . 12.7 ttp85 -147.99 142.24 26.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.768 179.778 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 460' ' ' VAL . . . . . . . . . . . . . 86.6 t -149.0 145.54 17.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.335 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 461' ' ' ILE . . . . . . . . . . . . . 13.1 pt -143.31 150.87 17.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.919 0.39 . . . . 0.0 110.792 -179.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 462' ' ' VAL . . . . . . . . . . . . . 55.9 t -109.93 131.07 61.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.366 177.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 463' ' ' TYR . . . . . 0.577 ' O ' ' CD1' ' A' ' 463' ' ' TYR . 0.0 OUTLIER -144.5 144.61 31.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.638 -177.435 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 464' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 472' ' ' THR . . . -139.54 167.17 22.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.325 177.412 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 465' ' ' PHE . . . . . 0.524 ' O ' ' CD2' ' A' ' 465' ' ' PHE . 19.2 p90 -102.62 105.69 16.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.577 -179.292 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 466' ' ' ASP . . . . . 0.584 ' CG ' ' H ' ' A' ' 467' ' ' ASP . 31.3 t0 -71.58 -159.81 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.544 178.76 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 467' ' ' ASP . . . . . 0.584 ' H ' ' CG ' ' A' ' 466' ' ' ASP . 87.4 m-20 -89.19 15.33 9.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.579 -179.77 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 468' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -125.96 13.07 7.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.643 -179.178 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 469' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 59.6 17.31 6.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.546 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 470' ' ' VAL . . . . . . . . . . . . . 75.2 t -102.02 135.66 37.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.584 179.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -57.17 99.7 0.1 Allowed Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 472' ' ' THR . . . . . 0.443 ' N ' ' O ' ' A' ' 464' ' ' ALA . 20.3 m -55.4 132.18 47.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.827 0.346 . . . . 0.0 110.582 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 473' ' ' VAL . . . . . . . . . . . . . 42.5 t -86.8 77.93 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.544 -179.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 1.6 t -68.87 -68.33 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.671 179.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -153.33 144.55 23.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.536 179.12 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 476' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -125.08 131.68 53.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.595 179.186 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 10.0 t -132.73 115.51 15.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.512 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 478' ' ' VAL . . . . . 0.417 HG12 HH11 ' A' ' 459' ' ' ARG . 4.3 m -124.79 128.43 73.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.573 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 479' ' ' ALA . . . . . . . . . . . . . . . -57.07 166.98 0.92 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.513 179.364 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -60.73 142.89 55.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.573 -179.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 100.86 -29.7 11.9 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 177.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 482' ' ' TRP . . . . . . . . . . . . . 11.7 m95 -100.39 144.61 28.79 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 120.944 0.402 . . . . 0.0 110.664 178.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 483' ' ' PRO . . . . . 0.415 ' CD ' ' HZ3' ' A' ' 531' ' ' LYS . 63.9 Cg_endo -74.4 166.59 29.1 Favored 'Trans proline' 0 C--N 1.304 -1.767 0 C-N-CA 122.779 2.319 . . . . 0.0 112.039 -179.524 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -78.89 118.72 21.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.568 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -75.64 -10.77 59.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.533 -179.303 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 486' ' ' ARG . . . . . . . . . . . . . 57.4 ttt180 -53.02 -33.02 49.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.561 -179.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 487' ' ' ASP . . . . . . . . . . . . . 55.6 t0 -68.3 -14.16 62.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.507 -179.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -106.32 116.47 31.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.497 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 489' ' ' VAL . . . . . . . . . . . . . 91.1 t -99.54 117.58 44.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.443 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 11.3 mm -48.67 110.22 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.602 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -78.91 -27.91 43.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.554 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 492' ' ' ASP . . . . . . . . . . . . . 17.7 t0 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.523 -179.864 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 503' ' ' TYR . . . . . 0.525 ' CD1' ' CD2' ' A' ' 549' ' ' LEU . 86.0 m-85 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.851 0.358 . . . . 0.0 110.562 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 68.6 ttt180 -62.13 -15.91 48.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.639 -179.157 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 15.3 pt20 -107.14 -1.43 21.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.673 -178.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . 84.67 37.47 10.49 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.27 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 507' ' ' ARG . . . . . . . . . . . . . 72.4 ttt180 -73.95 145.47 44.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.809 0.338 . . . . 0.0 110.513 179.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 66.1 mt -106.84 123.65 62.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.575 179.399 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 509' ' ' GLN . . . . . . . . . . . . . 61.4 tp60 -113.28 118.5 34.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.546 -179.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 510' ' ' ALA . . . . . . . . . . . . . . . -128.17 101.11 6.12 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.62 178.288 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 511' ' ' THR . . . . . . . . . . . . . 4.7 m -110.46 103.2 11.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.542 -179.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 512' ' ' THR . . . . . . . . . . . . . 6.8 m -51.0 -19.64 1.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.533 179.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 513' ' ' ASP . . . . . 0.541 ' OD1' ' NZ ' ' A' ' 516' ' ' LYS . 8.3 p30 -169.29 118.2 0.66 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.51 -179.419 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 514' ' ' ILE . . . . . . . . . . . . . 79.7 mt -70.54 -0.11 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.566 178.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 515' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -74.98 -31.16 61.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.552 -178.395 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 516' ' ' LYS . . . . . 0.541 ' NZ ' ' OD1' ' A' ' 513' ' ' ASP . 10.8 pttm -97.23 29.08 3.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.559 179.326 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -131.67 142.36 49.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.532 -177.205 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . 43.41 47.46 6.99 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 176.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 519' ' ' LEU . . . . . . . . . . . . . 10.3 mt -54.76 167.12 0.4 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.722 0.296 . . . . 0.0 110.615 177.227 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 520' ' ' THR . . . . . . . . . . . . . 2.1 m 52.76 30.99 9.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.563 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 521' ' ' GLU . . . . . 0.401 ' HG2' ' N ' ' A' ' 522' ' ' CYS . 63.2 tt0 -146.2 163.0 36.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.489 179.459 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 522' ' ' CYS . . . . . 0.677 ' O ' ' CG ' ' A' ' 523' ' ' HIS . 0.9 OUTLIER -60.3 123.53 17.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.541 178.716 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 523' ' ' HIS . . . . . 0.677 ' CG ' ' O ' ' A' ' 522' ' ' CYS . 13.3 m170 -172.21 -80.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.68 -178.591 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 524' ' ' LEU . . . . . 0.619 ' O ' ' HB2' ' A' ' 528' ' ' ARG . 0.7 OUTLIER -48.9 -34.34 12.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.75 178.412 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 525' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -56.7 -40.99 76.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.702 -178.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 526' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -101.97 -7.94 21.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.539 -179.151 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 15.0 mt -106.62 -28.33 10.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.53 -177.32 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 528' ' ' ARG . . . . . 0.694 ' N ' ' CD ' ' A' ' 529' ' ' PRO . 0.0 OUTLIER -66.93 -41.12 34.43 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.316 -177.791 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 529' ' ' PRO . . . . . 0.694 ' CD ' ' N ' ' A' ' 528' ' ' ARG . 31.2 Cg_exo -58.0 -44.96 35.25 Favored 'Trans proline' 0 C--N 1.306 -1.71 0 C-N-CA 123.0 2.466 . . . . 0.0 112.161 -178.792 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 80.1 mt -68.18 -4.97 15.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.615 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 531' ' ' LYS . . . . . 0.415 ' HZ3' ' CD ' ' A' ' 483' ' ' PRO . 26.6 mtmt 60.83 26.84 16.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.508 178.397 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 532' ' ' VAL . . . . . 0.447 ' O ' ' CG2' ' A' ' 532' ' ' VAL . 27.0 m -75.53 107.74 6.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.615 178.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 80.9 mtp180 -94.12 -14.9 25.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.365 -179.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -133.81 141.51 47.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.152 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -128.95 120.32 25.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.922 0.391 . . . . 0.0 111.163 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 536' ' ' LEU . . . . . . . . . . . . . 63.2 tp -131.75 127.92 37.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.949 -0.568 . . . . 0.0 109.939 177.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 68.8 t -130.86 147.55 33.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.954 0.407 . . . . 0.0 111.213 -178.161 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 538' ' ' VAL . . . . . . . . . . . . . 31.0 m -140.07 133.71 15.35 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.069 178.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 539' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -72.34 135.38 24.49 Favored 'Trans proline' 0 C--N 1.304 -1.781 0 C-N-CA 122.752 2.301 . . . . 0.0 112.455 -175.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 540' ' ' MET . . . . . 0.516 ' SD ' ' O ' ' A' ' 573' ' ' ALA . 4.6 ttp -127.9 119.77 26.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.109 177.014 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 541' ' ' VAL . . . . . . . . . . . . . 18.6 m . . . . . 0 C--N 1.329 -0.325 0 CA-C-O 121.029 0.442 . . . . 0.0 111.076 -176.68 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 546' ' ' LEU . . . . . . . . . . . . . 15.6 tp . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.817 0.341 . . . . 0.0 110.574 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 547' ' ' PHE . . . . . . . . . . . . . 60.5 t80 -112.4 -45.83 3.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.504 -178.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -172.62 -179.65 43.54 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.838 -0.905 . . . . 0.0 110.838 -178.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 549' ' ' LEU . . . . . 0.525 ' CD2' ' CD1' ' A' ' 503' ' ' TYR . 2.6 mp -138.43 143.01 39.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.868 0.366 . . . . 0.0 110.543 -179.287 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -92.47 121.26 33.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.346 178.38 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 551' ' ' ILE . . . . . 0.539 ' CG2' ' CE1' ' A' ' 553' ' ' HIS . 3.7 mt -112.72 135.15 53.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.911 -178.542 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -124.75 115.12 20.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.216 178.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 553' ' ' HIS . . . . . 0.539 ' CE1' ' CG2' ' A' ' 551' ' ' ILE . 42.3 m80 -110.52 129.21 55.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.791 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 554' ' ' GLN . . . . . 0.452 ' CD ' ' O ' ' A' ' 557' ' ' GLU . 43.5 tt0 -90.24 113.61 25.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.683 174.327 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -87.74 -5.2 58.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.44 -175.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 556' ' ' SER . . . . . . . . . . . . . 9.1 t -95.56 -31.61 13.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.522 -177.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 557' ' ' GLU . . . . . 0.452 ' O ' ' CD ' ' A' ' 554' ' ' GLN . 4.1 pt-20 174.3 151.17 0.26 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.33 -178.655 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 558' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -72.37 125.53 10.82 Favored 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 122.762 2.308 . . . . 0.0 112.212 178.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 559' ' ' ARG . . . . . 0.59 ' NH1' ' SG ' ' A' ' 457' ' ' CYS . 16.8 ptm180 -116.84 140.28 49.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.348 -177.287 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 560' ' ' GLN . . . . . . . . . . . . . 38.9 tp60 -77.51 116.45 18.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.626 176.066 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 561' ' ' TRP . . . . . . . . . . . . . 1.1 m95 -57.83 148.27 25.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.379 -176.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -95.61 139.06 32.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.843 178.119 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 563' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -46.94 -43.63 19.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.526 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 564' ' ' ILE . . . . . . . . . . . . . 1.1 mt -74.73 -35.04 35.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.56 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -66.45 -36.1 81.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.564 -179.079 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 566' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.14 -49.24 69.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.56 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -62.29 -47.43 84.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.635 -179.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 568' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -63.05 -44.32 96.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.541 -179.219 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 569' ' ' PHE . . . . . . . . . . . . . 54.4 t80 -63.13 -42.0 99.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.518 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 22.5 t -60.45 -39.37 87.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.44 178.236 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -58.1 -40.5 81.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.455 178.066 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 14.9 tp -58.16 -45.13 87.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.467 178.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 573' ' ' ALA . . . . . 0.516 ' O ' ' SD ' ' A' ' 540' ' ' MET . . . -65.07 -45.6 84.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.482 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 574' ' ' SER . . . . . 0.468 ' O ' ' OG ' ' A' ' 577' ' ' SER . 21.2 m -60.41 -32.21 71.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.548 179.791 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 30.1 m -57.47 -51.73 68.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.527 -178.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -51.34 -37.67 39.86 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.555 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 577' ' ' SER . . . . . 0.468 ' OG ' ' O ' ' A' ' 574' ' ' SER . 15.6 p -59.95 -33.87 72.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.79 0.328 . . . . 0.0 110.576 179.631 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 45.3 mt -59.12 -52.45 65.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.593 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 89.5 t -69.84 -45.39 77.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.525 -179.245 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 580' ' ' LEU . . . . . 0.49 ' O ' ' N ' ' A' ' 584' ' ' HIS . 34.7 mt -58.05 -38.0 75.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.503 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -53.44 -52.01 60.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.704 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 582' ' ' ARG . . . . . 0.417 ' O ' ' CB ' ' A' ' 586' ' ' LEU . 78.4 mtp180 -78.72 -40.69 32.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.705 -179.432 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 19.2 tp -67.72 -55.75 11.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.606 -179.173 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 584' ' ' HIS . . . . . 0.49 ' N ' ' O ' ' A' ' 580' ' ' LEU . 79.7 t60 -49.25 -43.71 43.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.581 -179.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 585' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -78.99 -49.68 12.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.648 -179.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 586' ' ' LEU . . . . . 0.417 ' CB ' ' O ' ' A' ' 582' ' ' ARG . 31.9 tp -51.54 -50.17 60.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.648 -179.667 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 587' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -59.2 -39.36 82.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.665 179.182 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 588' ' ' GLN . . . . . 0.512 HE21 ' CA ' ' A' ' 588' ' ' GLN . 0.0 OUTLIER -66.82 -50.57 62.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.65 -179.904 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 589' ' ' THR . . . . . . . . . . . . . 68.9 p -58.14 -30.98 66.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.609 -179.102 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 590' ' ' ILE . . . . . . . . . . . . . 3.1 mm . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.609 -179.666 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 59.8 t0 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.859 0.361 . . . . 0.0 110.576 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 69.9 ttt180 -55.62 -30.57 61.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.569 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 2.2 mm100 -70.0 -35.23 74.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.66 -179.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -56.26 -55.68 30.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.606 -179.106 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 24.3 pt -57.69 -29.66 35.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.776 -179.027 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 444' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -80.57 -48.41 12.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.716 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -56.61 -25.57 53.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.767 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 446' ' ' THR . . . . . 0.422 ' O ' ' N ' ' A' ' 449' ' ' ALA . 58.0 m -71.61 -59.84 2.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.628 -179.242 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 447' ' ' LEU . . . . . 0.449 ' H ' ' HG ' ' A' ' 447' ' ' LEU . 16.0 mt -38.97 -56.78 1.35 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.626 -179.674 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 448' ' ' VAL . . . . . . . . . . . . . 5.8 p -59.12 -37.49 68.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.7 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 449' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 446' ' ' THR . . . -56.15 -45.43 79.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.669 179.399 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 450' ' ' LYS . . . . . . . . . . . . . 53.1 mttm -70.95 -41.42 71.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.582 178.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . -49.2 -49.47 30.81 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 452' ' ' ARG . . . . . . . . . . . . . 59.6 ttp180 -57.39 -43.24 83.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.734 0.302 . . . . 0.0 110.561 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -76.25 -37.26 57.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.64 -179.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 41.7 mt -68.02 -58.35 4.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.578 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 455' ' ' LEU . . . . . . . . . . . . . 88.7 mt -70.32 -25.39 63.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.495 179.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . 60.66 42.47 13.75 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.656 -176.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 457' ' ' CYS . . . . . 0.546 ' SG ' ' CG2' ' A' ' 460' ' ' VAL . 1.8 p -90.48 -160.45 0.7 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.461 -179.751 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 458' ' ' ASP . . . . . 0.598 ' CG ' HE21 ' A' ' 554' ' ' GLN . 73.6 m-20 -115.62 -28.32 6.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.545 -178.17 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 459' ' ' ARG . . . . . . . . . . . . . 7.5 ttp180 -148.14 142.91 26.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.777 179.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 460' ' ' VAL . . . . . 0.546 ' CG2' ' SG ' ' A' ' 457' ' ' CYS . 55.9 t -148.38 144.86 18.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.324 -179.759 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 461' ' ' ILE . . . . . . . . . . . . . 13.9 pt -142.8 151.66 17.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.891 0.377 . . . . 0.0 110.866 -179.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 462' ' ' VAL . . . . . . . . . . . . . 38.3 t -109.58 130.19 63.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.368 178.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 463' ' ' TYR . . . . . 0.518 ' OH ' ' CE2' ' A' ' 465' ' ' PHE . 0.1 OUTLIER -148.64 145.33 27.7 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.684 -178.865 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 464' ' ' ALA . . . . . . . . . . . . . . . -139.1 169.66 17.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.344 179.011 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 465' ' ' PHE . . . . . 0.518 ' CE2' ' OH ' ' A' ' 463' ' ' TYR . 62.6 m-85 -100.14 103.25 14.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.579 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 466' ' ' ASP . . . . . 0.585 ' CG ' ' H ' ' A' ' 467' ' ' ASP . 31.1 t0 -70.84 -160.51 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.551 178.629 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 467' ' ' ASP . . . . . 0.585 ' H ' ' CG ' ' A' ' 466' ' ' ASP . 89.9 m-20 -89.47 14.56 11.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.586 -179.733 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 468' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -125.79 12.95 7.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.608 -179.093 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 469' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 60.26 17.61 7.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.619 -179.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 470' ' ' VAL . . . . . . . . . . . . . 76.4 t -104.36 137.47 33.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.631 179.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -67.93 91.03 0.22 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.866 -0.894 . . . . 0.0 110.866 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 472' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -54.25 134.78 44.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.782 0.325 . . . . 0.0 110.628 179.758 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 473' ' ' VAL . . . . . . . . . . . . . 3.3 m -83.08 76.61 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.529 -178.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 2.8 t -59.7 -67.1 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.564 178.34 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -151.17 141.92 22.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.581 179.079 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 476' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -123.76 129.97 51.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.554 179.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 477' ' ' SER . . . . . 0.45 ' O ' ' O ' ' A' ' 460' ' ' VAL . 9.1 t -132.08 114.68 14.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.488 -179.793 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 478' ' ' VAL . . . . . . . . . . . . . 8.9 m -125.72 129.05 72.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.589 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 479' ' ' ALA . . . . . . . . . . . . . . . -56.41 166.41 0.88 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.57 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -60.67 143.32 54.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.598 -179.063 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 100.72 -29.86 11.52 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.809 -0.916 . . . . 0.0 110.809 177.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 482' ' ' TRP . . . . . . . . . . . . . 19.1 m95 -99.57 142.79 25.25 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 120.973 0.416 . . . . 0.0 110.613 179.225 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 483' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -72.54 166.67 29.17 Favored 'Trans proline' 0 C--N 1.304 -1.766 0 C-N-CA 122.884 2.389 . . . . 0.0 112.085 -179.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -80.12 120.46 24.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.558 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -76.21 -11.46 59.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.521 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 486' ' ' ARG . . . . . . . . . . . . . 49.5 ttt85 -54.94 -33.3 62.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.571 -179.37 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 487' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -67.98 -13.15 61.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.485 -179.333 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -106.01 116.0 31.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.554 179.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 489' ' ' VAL . . . . . . . . . . . . . 93.7 t -101.95 121.09 52.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.537 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 9.6 mm -47.54 108.75 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.606 -179.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -79.28 -23.49 43.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.587 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 492' ' ' ASP . . . . . . . . . . . . . 15.5 t0 . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.57 -179.588 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 503' ' ' TYR . . . . . 0.425 ' CG ' ' CD2' ' A' ' 549' ' ' LEU . 56.1 m-85 . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.816 0.341 . . . . 0.0 110.485 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 54.2 ttp180 -62.55 -13.94 36.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.568 -179.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -99.16 1.41 44.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.667 -179.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . 83.21 35.18 18.62 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 507' ' ' ARG . . . . . . . . . . . . . 23.6 ttm180 -78.3 134.94 37.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.749 0.309 . . . . 0.0 110.598 179.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 7.4 pt -105.53 123.68 60.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.496 179.089 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 509' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -117.59 119.97 36.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.575 -178.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 510' ' ' ALA . . . . . . . . . . . . . . . -127.24 100.08 5.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.579 178.053 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 511' ' ' THR . . . . . . . . . . . . . 3.9 m -110.7 103.5 12.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.531 -179.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 512' ' ' THR . . . . . . . . . . . . . 6.2 m -51.31 -19.59 1.34 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.52 179.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 513' ' ' ASP . . . . . 0.525 ' OD1' ' NZ ' ' A' ' 516' ' ' LYS . 18.2 p30 -169.86 117.24 0.57 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.544 -179.114 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 514' ' ' ILE . . . . . 0.475 ' O ' ' CG2' ' A' ' 514' ' ' ILE . 96.6 mt -69.72 0.66 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.582 179.055 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 515' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -74.49 -31.7 62.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.516 -178.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 516' ' ' LYS . . . . . 0.525 ' NZ ' ' OD1' ' A' ' 513' ' ' ASP . 9.4 pttm -97.87 29.33 3.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.509 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -130.8 141.66 50.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.489 -177.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 518' ' ' GLY . . . . . 0.412 ' O ' ' O ' ' A' ' 519' ' ' LEU . . . 42.55 44.28 5.22 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.901 -0.879 . . . . 0.0 110.901 177.352 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 519' ' ' LEU . . . . . 0.446 HD23 ' N ' ' A' ' 519' ' ' LEU . 2.2 mt -44.47 171.4 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.7 0.286 . . . . 0.0 110.701 178.417 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 520' ' ' THR . . . . . . . . . . . . . 30.0 p 46.52 37.34 4.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.524 178.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 46.5 tt0 -146.5 162.29 38.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.428 179.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 522' ' ' CYS . . . . . 0.707 ' O ' ' CG ' ' A' ' 523' ' ' HIS . 0.8 OUTLIER -61.14 125.43 23.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.497 178.159 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 523' ' ' HIS . . . . . 0.707 ' CG ' ' O ' ' A' ' 522' ' ' CYS . 12.8 m170 -173.72 -80.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.623 -178.58 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 524' ' ' LEU . . . . . 0.568 ' O ' ' N ' ' A' ' 528' ' ' ARG . 0.5 OUTLIER -50.47 -35.89 31.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.721 178.526 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 525' ' ' ASN . . . . . . . . . . . . . 53.9 t-20 -57.78 -42.96 85.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.685 -177.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 526' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -98.85 -8.7 25.35 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.607 -178.19 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 75.6 mt -106.93 -21.85 12.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.601 -177.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 528' ' ' ARG . . . . . 0.702 ' N ' ' CD ' ' A' ' 529' ' ' PRO . 0.7 OUTLIER -70.31 -40.68 12.26 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.203 -178.166 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 529' ' ' PRO . . . . . 0.702 ' CD ' ' N ' ' A' ' 528' ' ' ARG . 33.3 Cg_exo -57.72 -45.82 30.79 Favored 'Trans proline' 0 C--N 1.305 -1.735 0 C-N-CA 122.961 2.44 . . . . 0.0 112.196 -178.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 85.7 mt -75.07 3.63 8.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.64 179.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 3.4 mtmm 59.8 26.05 15.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.584 179.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 532' ' ' VAL . . . . . . . . . . . . . 56.0 t -73.99 104.97 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.588 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -106.45 -15.87 14.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.377 179.035 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -124.63 135.22 52.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.095 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 29.7 t30 -127.21 117.4 22.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.903 0.382 . . . . 0.0 111.206 -179.317 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 536' ' ' LEU . . . . . . . . . . . . . 64.3 tp -130.17 126.54 37.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.966 176.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 52.8 t -129.2 146.21 34.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.053 0.454 . . . . 0.0 111.189 -177.165 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 538' ' ' VAL . . . . . . . . . . . . . 34.5 m -140.62 129.91 13.11 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.03 178.104 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 539' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -72.47 133.26 20.41 Favored 'Trans proline' 0 C--N 1.304 -1.787 0 C-N-CA 122.74 2.293 . . . . 0.0 112.524 -174.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 540' ' ' MET . . . . . 0.546 ' SD ' ' O ' ' A' ' 573' ' ' ALA . 6.4 ttt -127.62 118.15 23.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.061 176.286 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 541' ' ' VAL . . . . . . . . . . . . . 17.1 m . . . . . 0 C--N 1.328 -0.343 0 CA-C-O 120.985 0.422 . . . . 0.0 111.143 -175.533 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 546' ' ' LEU . . . . . . . . . . . . . 27.4 tp . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.81 0.338 . . . . 0.0 110.562 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 547' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -114.53 -47.48 2.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.507 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -167.0 179.82 40.51 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 549' ' ' LEU . . . . . 0.443 HD12 ' N ' ' A' ' 549' ' ' LEU . 4.2 mp -142.64 139.55 31.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.796 0.332 . . . . 0.0 110.569 -179.748 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 550' ' ' LEU . . . . . 0.51 ' CD1' ' N ' ' A' ' 550' ' ' LEU . 9.0 mp -95.25 118.38 31.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.332 179.43 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 551' ' ' ILE . . . . . 0.503 ' CG2' ' CE1' ' A' ' 553' ' ' HIS . 3.3 mm -115.4 138.54 45.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.004 -178.65 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -124.72 114.11 18.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.116 178.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 553' ' ' HIS . . . . . 0.503 ' CE1' ' CG2' ' A' ' 551' ' ' ILE . 55.5 m80 -110.01 130.88 55.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.87 -179.729 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 554' ' ' GLN . . . . . 0.598 HE21 ' CG ' ' A' ' 458' ' ' ASP . 13.9 tp60 -88.95 115.78 26.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.676 174.239 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -91.24 -7.4 51.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.456 -176.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 556' ' ' SER . . . . . 0.459 ' OG ' ' OD2' ' A' ' 458' ' ' ASP . 3.1 m -95.16 -30.03 14.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.54 -177.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 173.35 148.42 0.22 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.413 -178.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 558' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -68.37 126.27 14.02 Favored 'Trans proline' 0 C--N 1.305 -1.747 0 C-N-CA 122.834 2.356 . . . . 0.0 112.208 178.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -119.7 141.69 49.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.347 -176.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 560' ' ' GLN . . . . . 0.435 ' O ' ' OE1' ' A' ' 562' ' ' GLN . 56.2 tp60 -79.38 118.89 21.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.665 176.303 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 561' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -60.87 144.74 52.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.275 -177.034 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 562' ' ' GLN . . . . . 0.453 ' N ' ' OE1' ' A' ' 562' ' ' GLN . 0.2 OUTLIER -90.69 137.93 31.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.871 177.215 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 563' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -45.98 -42.73 13.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.584 -178.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 564' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -71.09 -35.21 57.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.524 -179.567 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 565' ' ' GLU . . . . . 0.6 ' OE1' ' N ' ' A' ' 565' ' ' GLU . 3.1 mp0 -65.96 -38.09 87.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.556 -179.009 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 566' ' ' ILE . . . . . . . . . . . . . 81.6 mt -64.93 -49.1 81.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.642 -179.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -64.98 -49.63 69.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.653 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 568' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -61.53 -46.29 90.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.524 -178.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 569' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -62.84 -41.56 99.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.505 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 23.1 t -60.41 -40.22 90.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.534 177.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -58.39 -40.51 82.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.538 177.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 15.0 tp -57.93 -42.58 85.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.443 178.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 573' ' ' ALA . . . . . 0.546 ' O ' ' SD ' ' A' ' 540' ' ' MET . . . -66.19 -44.8 82.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.473 179.518 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 574' ' ' SER . . . . . . . . . . . . . 19.6 m -58.46 -31.26 67.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.537 179.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 17.5 m -64.55 -43.6 93.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.514 -179.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -48.68 -38.58 22.39 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 178.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 34.5 m -58.53 -40.06 81.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.799 0.333 . . . . 0.0 110.536 178.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 59.9 mt -54.35 -45.0 72.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.645 178.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 93.1 t -74.93 -51.15 22.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.466 -178.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 580' ' ' LEU . . . . . 0.568 ' O ' ' N ' ' A' ' 584' ' ' HIS . 95.5 mt -61.61 -43.51 98.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.499 -178.801 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -51.87 -52.01 52.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.683 -179.298 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 582' ' ' ARG . . . . . . . . . . . . . 84.0 mtt-85 -76.98 -41.91 41.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.695 -179.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 29.3 tp -70.34 -60.7 2.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.681 -179.219 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 584' ' ' HIS . . . . . 0.568 ' N ' ' O ' ' A' ' 580' ' ' LEU . 63.9 t60 -47.13 -41.87 18.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.612 -178.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 585' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -77.15 -51.04 11.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.687 -179.262 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 586' ' ' LEU . . . . . 0.452 ' O ' ' OG1' ' A' ' 589' ' ' THR . 28.9 tp -51.77 -49.82 61.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.617 -179.258 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 587' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -55.89 -38.54 70.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.621 179.057 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 588' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -66.67 -43.94 83.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.683 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 589' ' ' THR . . . . . 0.452 ' OG1' ' O ' ' A' ' 586' ' ' LEU . 68.3 p -59.42 -33.29 71.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.598 -179.112 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 590' ' ' ILE . . . . . . . . . . . . . 75.7 mt . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.585 -179.677 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 54.1 p30 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.813 0.34 . . . . 0.0 110.543 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -57.12 -33.02 66.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.58 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 2.8 mm100 -68.15 -32.44 72.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.639 -179.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -61.11 -54.76 40.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.582 -179.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 22.3 pt -61.1 -34.53 60.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.699 -179.118 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 444' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -78.53 -51.59 9.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.669 -179.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -55.61 -22.86 24.45 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.723 179.116 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 446' ' ' THR . . . . . 0.409 ' O ' ' N ' ' A' ' 449' ' ' ALA . 51.5 m -71.98 -58.62 3.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.679 -179.705 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 447' ' ' LEU . . . . . 0.458 ' H ' ' HG ' ' A' ' 447' ' ' LEU . 14.8 mt -39.37 -56.65 1.53 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.602 -179.795 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 448' ' ' VAL . . . . . . . . . . . . . 5.3 p -58.57 -37.62 66.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.682 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 449' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 446' ' ' THR . . . -56.17 -44.54 79.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.583 179.039 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 450' ' ' LYS . . . . . . . . . . . . . 77.2 mttt -72.27 -41.42 66.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.603 178.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . -49.46 -50.91 28.79 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 -179.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 452' ' ' ARG . . . . . 0.524 ' NH2' ' OG ' ' A' ' 477' ' ' SER . 27.9 ttm180 -57.82 -44.92 86.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.821 0.343 . . . . 0.0 110.614 -179.74 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -71.72 -37.84 70.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.622 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 41.4 mt -67.73 -57.77 5.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.649 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 455' ' ' LEU . . . . . . . . . . . . . 97.2 mt -71.23 -25.55 62.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.52 179.215 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . 60.17 44.18 13.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.666 -176.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 457' ' ' CYS . . . . . 0.575 ' SG ' ' CG2' ' A' ' 460' ' ' VAL . 3.1 p -91.6 -159.52 0.65 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.422 -179.803 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 458' ' ' ASP . . . . . 0.498 ' N ' ' NE2' ' A' ' 554' ' ' GLN . 53.8 t0 -115.83 -27.98 6.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.67 -178.136 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 459' ' ' ARG . . . . . . . . . . . . . 28.5 ttp85 -147.73 141.83 26.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.676 -179.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 460' ' ' VAL . . . . . 0.575 ' CG2' ' SG ' ' A' ' 457' ' ' CYS . 39.6 t -148.58 144.96 18.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.314 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 461' ' ' ILE . . . . . . . . . . . . . 13.7 pt -142.89 151.86 17.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.894 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 462' ' ' VAL . . . . . . . . . . . . . 33.7 t -112.07 132.47 60.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.349 179.125 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 463' ' ' TYR . . . . . 0.57 ' CE1' ' CD1' ' A' ' 551' ' ' ILE . 1.1 p90 -146.87 146.5 30.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.726 -178.795 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 464' ' ' ALA . . . . . . . . . . . . . . . -136.32 164.25 28.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.387 178.417 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 465' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -96.19 100.67 12.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.555 -179.008 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 466' ' ' ASP . . . . . 0.575 ' CG ' ' H ' ' A' ' 467' ' ' ASP . 29.3 t0 -74.2 -158.54 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.53 178.839 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 467' ' ' ASP . . . . . 0.575 ' H ' ' CG ' ' A' ' 466' ' ' ASP . 85.9 m-20 -93.17 15.53 15.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.501 -179.579 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 468' ' ' ASN . . . . . 0.501 ' O ' ' N ' ' A' ' 470' ' ' VAL . 0.4 OUTLIER -126.47 31.55 5.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.617 -178.639 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 469' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 44.04 17.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.594 179.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 470' ' ' VAL . . . . . 0.501 ' N ' ' O ' ' A' ' 468' ' ' ASN . 8.6 p -109.33 142.94 20.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.544 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -75.2 82.33 0.89 Allowed Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.901 -0.879 . . . . 0.0 110.901 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 472' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -42.04 142.98 0.63 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.815 0.34 . . . . 0.0 110.619 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 473' ' ' VAL . . . . . . . . . . . . . 91.2 t -88.03 92.78 3.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.511 -178.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 2.4 t -75.74 -67.98 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.632 177.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -149.48 138.08 20.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.58 178.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 476' ' ' GLU . . . . . 0.549 ' OE2' ' N ' ' A' ' 485' ' ' ALA . 73.5 tt0 -125.16 132.59 53.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.592 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 477' ' ' SER . . . . . 0.524 ' OG ' ' NH2' ' A' ' 452' ' ' ARG . 7.4 t -134.02 115.5 14.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.505 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 478' ' ' VAL . . . . . . . . . . . . . 24.7 m -122.85 126.73 74.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.562 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 479' ' ' ALA . . . . . . . . . . . . . . . -57.8 167.72 1.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.504 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -61.76 144.58 54.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.563 -179.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 102.16 -30.61 10.04 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 178.13 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 482' ' ' TRP . . . . . . . . . . . . . 13.2 m95 -101.91 138.85 19.9 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 120.987 0.423 . . . . 0.0 110.665 178.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 483' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -74.09 171.7 17.44 Favored 'Trans proline' 0 C--N 1.306 -1.695 0 C-N-CA 122.852 2.368 . . . . 0.0 112.088 -179.181 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -84.04 120.98 26.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.657 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 485' ' ' ALA . . . . . 0.549 ' N ' ' OE2' ' A' ' 476' ' ' GLU . . . -75.44 -7.16 53.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.496 -179.71 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 486' ' ' ARG . . . . . 0.433 ' N ' ' OE1' ' A' ' 476' ' ' GLU . 57.9 ttt85 -49.63 -33.91 16.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.56 -179.471 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 487' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -67.05 -17.55 64.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.529 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -106.76 115.66 30.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.547 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 489' ' ' VAL . . . . . . . . . . . . . 48.3 t -98.91 117.93 44.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.571 179.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 490' ' ' ILE . . . . . 0.622 ' CD1' ' N ' ' A' ' 490' ' ' ILE . 0.1 OUTLIER -48.62 138.49 3.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.59 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -107.1 -32.86 7.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.536 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 492' ' ' ASP . . . . . . . . . . . . . 45.9 t0 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.608 -179.847 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 54.1 m-85 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.918 0.389 . . . . 0.0 110.602 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 504' ' ' ARG . . . . . 0.564 ' C ' ' H ' ' A' ' 506' ' ' GLY . 57.7 ttt180 -60.43 -54.2 48.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.555 -179.736 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -61.31 3.31 0.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.619 179.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 506' ' ' GLY . . . . . 0.564 ' H ' ' C ' ' A' ' 504' ' ' ARG . . . 79.39 38.66 20.87 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 177.7 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 507' ' ' ARG . . . . . . . . . . . . . 23.5 ttm180 -68.57 137.46 54.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.792 0.329 . . . . 0.0 110.581 178.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 69.3 mt -106.53 123.57 61.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.566 179.4 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 509' ' ' GLN . . . . . . . . . . . . . 61.2 tp60 -114.21 118.52 34.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.528 -178.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 510' ' ' ALA . . . . . . . . . . . . . . . -128.15 101.12 6.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.553 178.202 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 511' ' ' THR . . . . . . . . . . . . . 4.1 m -111.5 104.04 12.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.592 -179.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 512' ' ' THR . . . . . . . . . . . . . 8.0 m -50.66 -19.96 1.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.488 179.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 513' ' ' ASP . . . . . 0.521 ' N ' ' OD1' ' A' ' 513' ' ' ASP . 6.1 p30 -169.79 117.54 0.59 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.532 -179.01 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 514' ' ' ILE . . . . . 0.431 ' O ' ' CG2' ' A' ' 514' ' ' ILE . 93.6 mt -69.23 1.19 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.578 179.425 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 515' ' ' PHE . . . . . 0.42 ' H ' ' C ' ' A' ' 513' ' ' ASP . 7.5 m-85 -77.37 -32.9 55.26 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.53 -178.136 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 34.1 pttt -96.2 27.94 3.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.51 179.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -131.33 123.28 27.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.578 -177.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . 60.93 43.87 98.83 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 177.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 519' ' ' LEU . . . . . . . . . . . . . 60.4 mt -46.17 169.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.806 0.336 . . . . 0.0 110.61 177.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 520' ' ' THR . . . . . . . . . . . . . 13.9 p 50.07 35.21 9.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.587 179.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 52.3 tt0 -146.14 163.73 34.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.479 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 522' ' ' CYS . . . . . 0.655 ' O ' ' CG ' ' A' ' 523' ' ' HIS . 0.7 OUTLIER -59.98 125.6 24.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.46 178.489 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 523' ' ' HIS . . . . . 0.655 ' CG ' ' O ' ' A' ' 522' ' ' CYS . 13.3 m170 -170.61 -82.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.674 -178.809 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 524' ' ' LEU . . . . . 0.552 ' O ' ' CB ' ' A' ' 528' ' ' ARG . 10.1 mt -48.11 -33.7 8.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.674 178.323 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 525' ' ' ASN . . . . . . . . . . . . . 55.8 t-20 -57.27 -43.51 83.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.679 -177.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 526' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -103.54 -7.48 20.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.592 -178.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 95.9 mt -107.18 -25.77 11.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.599 -176.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 528' ' ' ARG . . . . . 0.715 ' N ' ' CD ' ' A' ' 529' ' ' PRO . 16.8 tpt180 -68.63 -38.54 12.44 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.379 -177.293 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 529' ' ' PRO . . . . . 0.715 ' CD ' ' N ' ' A' ' 528' ' ' ARG . 34.9 Cg_exo -59.49 -45.63 25.19 Favored 'Trans proline' 0 C--N 1.306 -1.708 0 C-N-CA 122.812 2.341 . . . . 0.0 112.179 -178.238 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 530' ' ' LEU . . . . . 0.547 ' C ' ' HZ1' ' A' ' 531' ' ' LYS . 67.8 mt -70.03 -6.97 37.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.698 -179.023 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 531' ' ' LYS . . . . . 0.547 ' HZ1' ' C ' ' A' ' 530' ' ' LEU . 4.9 mtmp? 64.31 25.41 13.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.544 178.664 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 532' ' ' VAL . . . . . 0.429 ' O ' ' CG2' ' A' ' 532' ' ' VAL . 26.3 m -76.02 109.42 9.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.702 179.689 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 533' ' ' ARG . . . . . 0.521 ' NH1' ' O ' ' A' ' 555' ' ' ALA . 74.8 mtt85 -100.07 -14.11 18.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.319 179.6 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -130.13 138.48 50.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.103 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 23.1 t30 -128.49 118.25 22.74 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.703 -0.399 . . . . 0.0 111.157 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 536' ' ' LEU . . . . . . . . . . . . . 69.4 tp -130.76 128.16 40.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.998 177.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 58.6 t -130.69 147.51 33.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.052 0.453 . . . . 0.0 111.133 -177.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 538' ' ' VAL . . . . . . . . . . . . . 30.9 m -140.0 129.74 13.75 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.007 178.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 539' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -72.39 136.13 25.78 Favored 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 122.719 2.279 . . . . 0.0 112.51 -174.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 540' ' ' MET . . . . . 0.442 ' HB3' ' O ' ' A' ' 548' ' ' GLY . 0.9 OUTLIER -127.96 118.07 22.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.049 176.125 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 541' ' ' VAL . . . . . . . . . . . . . 31.0 m . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.103 -175.938 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 546' ' ' LEU . . . . . . . . . . . . . 29.1 tp . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.831 0.348 . . . . 0.0 110.535 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 547' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -112.96 -54.93 2.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.582 -179.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 548' ' ' GLY . . . . . 0.442 ' O ' ' HB3' ' A' ' 540' ' ' MET . . . -170.58 -175.89 39.6 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 -178.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 549' ' ' LEU . . . . . . . . . . . . . 5.2 mp -144.93 141.1 28.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.764 0.316 . . . . 0.0 110.624 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 550' ' ' LEU . . . . . 0.528 ' CD1' ' N ' ' A' ' 550' ' ' LEU . 7.1 mp -94.66 124.46 38.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.305 179.442 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 551' ' ' ILE . . . . . 0.57 ' CD1' ' CE1' ' A' ' 463' ' ' TYR . 5.0 mt -117.24 140.64 39.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.871 -179.346 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -125.43 114.33 18.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.184 177.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 553' ' ' HIS . . . . . 0.527 ' CE1' ' CG2' ' A' ' 551' ' ' ILE . 52.7 m80 -108.8 127.86 54.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.879 0.371 . . . . 0.0 110.868 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 554' ' ' GLN . . . . . 0.559 HE22 ' C ' ' A' ' 457' ' ' CYS . 27.1 tp60 -86.59 115.28 23.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.728 175.194 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 555' ' ' ALA . . . . . 0.521 ' O ' ' NH1' ' A' ' 533' ' ' ARG . . . -90.26 -8.61 50.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.51 -176.614 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 556' ' ' SER . . . . . . . . . . . . . 91.6 p -93.49 -31.37 14.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.492 -177.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 173.97 150.18 0.24 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.398 -178.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 558' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -70.44 125.41 11.76 Favored 'Trans proline' 0 C--N 1.305 -1.761 0 C-N-CA 122.744 2.296 . . . . 0.0 112.279 179.191 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 11.9 ptm180 -117.93 140.29 49.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.306 -176.431 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 560' ' ' GLN . . . . . 0.474 ' NE2' ' N ' ' A' ' 561' ' ' TRP . 34.4 tp60 -77.93 118.26 20.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.624 176.065 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 561' ' ' TRP . . . . . 0.474 ' N ' ' NE2' ' A' ' 560' ' ' GLN . 1.1 m95 -57.72 146.83 29.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.353 -177.102 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -94.54 136.7 34.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.832 177.829 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 563' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -45.81 -43.09 12.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.544 -179.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 564' ' ' ILE . . . . . 0.58 ' O ' ' NE2' ' A' ' 568' ' ' GLN . 6.3 mm -72.69 -35.78 51.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.544 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 88.8 mt-10 -64.95 -35.15 80.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.595 -178.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 566' ' ' ILE . . . . . 0.418 ' O ' ' OG ' ' A' ' 570' ' ' SER . 46.2 mm -65.83 -49.26 78.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.628 -179.55 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 60.8 t0 -63.41 -49.04 75.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.543 -179.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 568' ' ' GLN . . . . . 0.58 ' NE2' ' O ' ' A' ' 564' ' ' ILE . 2.3 mp0 -61.9 -45.3 94.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.518 -178.716 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 569' ' ' PHE . . . . . . . . . . . . . 51.1 t80 -65.48 -43.25 90.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.521 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 570' ' ' SER . . . . . 0.418 ' OG ' ' O ' ' A' ' 566' ' ' ILE . 21.7 m -60.72 -37.75 82.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.498 177.543 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 82.9 mt-10 -59.85 -40.54 88.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.575 177.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 15.2 tp -57.39 -42.12 81.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.523 178.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . -68.31 -44.47 75.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.448 179.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 574' ' ' SER . . . . . 0.477 ' O ' ' OG ' ' A' ' 577' ' ' SER . 37.4 m -60.32 -32.89 71.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.557 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 43.7 m -58.48 -51.8 68.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.626 -178.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -51.91 -38.5 46.4 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 577' ' ' SER . . . . . 0.511 ' HG ' ' N ' ' A' ' 578' ' ' LEU . 24.0 p -59.62 -30.9 69.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.796 0.331 . . . . 0.0 110.558 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 578' ' ' LEU . . . . . 0.511 ' N ' ' HG ' ' A' ' 577' ' ' SER . 48.9 mt -63.13 -53.67 49.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.551 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 99.3 t -72.55 -45.97 56.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.492 -178.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 580' ' ' LEU . . . . . 0.429 ' O ' ' CB ' ' A' ' 584' ' ' HIS . 49.4 mt -53.55 -36.19 61.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.52 -179.23 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -60.14 -58.46 8.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.72 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 582' ' ' ARG . . . . . . . . . . . . . 57.3 mtm180 -69.86 -40.12 75.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.676 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 43.7 tp -65.14 -54.97 21.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.67 -179.251 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 584' ' ' HIS . . . . . 0.541 ' O ' ' NE2' ' A' ' 588' ' ' GLN . 83.5 t60 -49.94 -32.58 15.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.708 -179.392 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 585' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -77.12 -49.53 15.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.586 -179.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 38.0 mt -59.4 -45.61 91.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.647 -178.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 587' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -60.73 -47.35 86.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.598 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 588' ' ' GLN . . . . . 0.639 ' NE2' ' N ' ' A' ' 588' ' ' GLN . 0.1 OUTLIER -68.82 -49.39 58.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.645 -179.303 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 589' ' ' THR . . . . . . . . . . . . . 51.3 m -58.16 -32.28 68.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.632 -178.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 590' ' ' ILE . . . . . . . . . . . . . 11.3 mt . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.559 -179.292 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 439' ' ' ASP . . . . . 0.5 ' CG ' ' H ' ' A' ' 440' ' ' ARG . 43.2 t0 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.87 0.367 . . . . 0.0 110.56 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 440' ' ' ARG . . . . . 0.5 ' H ' ' CG ' ' A' ' 439' ' ' ASP . 7.8 ptp85 -55.89 -30.11 61.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.613 -179.774 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 2.3 mm100 -67.4 -38.29 84.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.666 -179.037 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -57.87 -55.34 36.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.675 -179.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 22.7 pt -59.99 -33.05 51.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.72 -179.059 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 444' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -77.86 -48.57 16.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.661 -179.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -56.85 -22.95 40.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.639 179.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 446' ' ' THR . . . . . 0.403 ' O ' ' C ' ' A' ' 447' ' ' LEU . 82.5 m -74.37 -59.26 2.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.598 -179.258 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 447' ' ' LEU . . . . . 0.404 ' H ' ' HG ' ' A' ' 447' ' ' LEU . 18.2 mt -39.77 -58.86 1.27 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.656 -178.674 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 448' ' ' VAL . . . . . . . . . . . . . 12.4 p -56.96 -39.19 63.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.613 -179.094 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -54.71 -43.09 72.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.713 179.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 450' ' ' LYS . . . . . . . . . . . . . 50.6 mttm -74.57 -37.59 62.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.631 179.237 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . -50.13 -51.93 28.79 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -178.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 452' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -61.1 -40.91 95.55 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.822 0.344 . . . . 0.0 110.613 -178.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -73.16 -40.37 64.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.607 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 40.2 mt -68.03 -56.19 9.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.614 -179.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 455' ' ' LEU . . . . . 0.433 ' O ' ' NH1' ' A' ' 559' ' ' ARG . 87.1 mt -70.16 -24.14 63.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.522 -179.772 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . 59.67 41.58 18.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.635 -176.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 5.1 t -91.58 -159.53 0.65 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.502 -179.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 46.7 t0 -114.41 -29.88 6.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.632 -178.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 459' ' ' ARG . . . . . 0.428 ' O ' ' O ' ' A' ' 553' ' ' HIS . 6.4 ttp180 -147.38 141.5 26.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.756 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 460' ' ' VAL . . . . . . . . . . . . . 9.7 p -151.77 147.89 14.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.296 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 461' ' ' ILE . . . . . . . . . . . . . 13.5 pt -147.64 155.19 10.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.871 0.367 . . . . 0.0 110.875 -178.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 462' ' ' VAL . . . . . . . . . . . . . 91.3 t -111.58 131.96 61.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.331 177.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 463' ' ' TYR . . . . . 0.558 ' CE1' ' CD1' ' A' ' 551' ' ' ILE . 1.1 p90 -143.88 144.7 31.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.748 -178.1 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 464' ' ' ALA . . . . . 0.476 ' O ' ' N ' ' A' ' 472' ' ' THR . . . -138.29 166.79 23.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.377 178.155 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 465' ' ' PHE . . . . . 0.413 ' CZ ' ' CD2' ' A' ' 546' ' ' LEU . 0.0 OUTLIER -98.35 102.07 13.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.528 -179.444 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 466' ' ' ASP . . . . . 0.589 ' CG ' ' H ' ' A' ' 467' ' ' ASP . 31.1 t0 -72.64 -159.09 0.05 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.575 178.661 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 467' ' ' ASP . . . . . 0.589 ' H ' ' CG ' ' A' ' 466' ' ' ASP . 89.7 m-20 -85.35 15.98 4.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.533 -179.626 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 468' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -127.47 7.0 6.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.62 -179.204 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 469' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 64.0 19.47 11.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.551 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 470' ' ' VAL . . . . . . . . . . . . . 99.3 t -106.19 138.3 32.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.56 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -55.94 94.18 0.03 OUTLIER Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.921 -0.871 . . . . 0.0 110.921 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 472' ' ' THR . . . . . 0.476 ' N ' ' O ' ' A' ' 464' ' ' ALA . 18.3 m -46.35 127.61 9.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.813 0.339 . . . . 0.0 110.558 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 473' ' ' VAL . . . . . . . . . . . . . 7.0 t -78.6 67.05 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.543 -179.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 1.5 t -60.1 -67.0 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.587 179.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -153.35 144.41 22.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.548 179.088 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 476' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -125.4 133.39 52.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.575 179.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 1.3 p -137.01 118.46 14.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.562 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 478' ' ' VAL . . . . . . . . . . . . . 6.0 m -125.38 129.75 72.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.545 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 479' ' ' ALA . . . . . . . . . . . . . . . -57.43 166.65 1.18 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.563 179.468 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 480' ' ' GLU . . . . . 0.5 ' CD ' ' H ' ' A' ' 480' ' ' GLU . 47.6 mp0 -60.67 141.53 56.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.594 -179.303 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 102.34 -30.11 11.1 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.829 -0.909 . . . . 0.0 110.829 177.465 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 482' ' ' TRP . . . . . . . . . . . . . 11.9 m95 -101.08 143.64 26.99 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 120.927 0.394 . . . . 0.0 110.626 179.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 483' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -72.94 166.29 30.44 Favored 'Trans proline' 0 C--N 1.304 -1.797 0 C-N-CA 122.916 2.411 . . . . 0.0 112.086 -179.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -75.82 121.19 22.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.662 179.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -76.05 -11.36 59.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.516 -179.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 486' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -51.28 -35.4 37.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.568 -179.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 487' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -69.22 -19.78 63.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.457 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -105.75 117.56 34.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.519 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 489' ' ' VAL . . . . . . . . . . . . . 14.3 p -110.3 129.67 64.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.591 179.33 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 9.7 pt -55.03 126.13 11.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.539 -179.443 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 41.5 tp10 -83.95 -35.36 24.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.597 179.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 492' ' ' ASP . . . . . 0.412 ' H ' HE22 ' A' ' 526' ' ' GLN . 36.8 t0 . . . . . 0 C--N 1.331 -0.233 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.595 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 44.3 m-85 . . . . . 0 C--O 1.23 0.041 0 CA-C-O 120.831 0.348 . . . . 0.0 110.558 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 61.1 ttp180 -60.23 -18.88 51.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.57 -179.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 505' ' ' GLN . . . . . 0.676 ' NE2' HH21 ' A' ' 507' ' ' ARG . 15.4 pt20 -105.96 -3.17 22.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.603 -178.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . 83.81 37.32 11.84 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 179.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 507' ' ' ARG . . . . . 0.676 HH21 ' NE2' ' A' ' 505' ' ' GLN . 22.1 ttm180 -73.77 148.25 42.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.771 0.319 . . . . 0.0 110.578 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 72.1 mt -107.67 123.88 63.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.565 179.139 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 509' ' ' GLN . . . . . . . . . . . . . 61.5 tp60 -113.64 119.28 36.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.537 -179.285 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 510' ' ' ALA . . . . . . . . . . . . . . . -128.73 102.15 6.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.566 178.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 511' ' ' THR . . . . . . . . . . . . . 3.8 m -110.97 104.64 13.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.596 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 512' ' ' THR . . . . . . . . . . . . . 70.7 p -52.15 -20.28 2.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.503 179.196 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 513' ' ' ASP . . . . . 0.53 ' N ' ' OD1' ' A' ' 513' ' ' ASP . 5.2 p30 -169.42 117.63 0.63 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.548 -179.198 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 514' ' ' ILE . . . . . . . . . . . . . 68.1 mt -69.19 0.32 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.517 179.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 515' ' ' PHE . . . . . 0.402 ' H ' ' C ' ' A' ' 513' ' ' ASP . 8.5 m-85 -76.67 -32.24 57.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.485 -178.222 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 15.8 pttp -96.79 27.49 3.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.53 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -130.8 122.75 27.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.57 -177.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . 61.27 44.94 97.45 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 177.243 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 519' ' ' LEU . . . . . . . . . . . . . 63.6 mt -48.49 169.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.77 0.319 . . . . 0.0 110.651 178.017 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 520' ' ' THR . . . . . . . . . . . . . 2.3 m 50.85 33.83 9.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.586 179.314 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 57.0 tt0 -145.96 162.8 37.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.443 179.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 522' ' ' CYS . . . . . 0.666 ' O ' ' CG ' ' A' ' 523' ' ' HIS . 0.8 OUTLIER -60.12 126.04 25.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.562 178.566 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 523' ' ' HIS . . . . . 0.666 ' CG ' ' O ' ' A' ' 522' ' ' CYS . 15.2 m170 -170.24 -80.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.719 -179.116 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 524' ' ' LEU . . . . . 0.688 ' O ' ' HB2' ' A' ' 528' ' ' ARG . 14.2 mt -47.0 -32.1 3.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.694 177.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 525' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -56.61 -42.85 79.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.718 -177.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 526' ' ' GLN . . . . . 0.412 HE22 ' H ' ' A' ' 492' ' ' ASP . 22.2 mt-30 -104.76 -7.14 19.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.54 -179.245 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 17.4 mt -105.78 -28.97 10.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.559 -176.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 528' ' ' ARG . . . . . 0.688 ' HB2' ' O ' ' A' ' 524' ' ' LEU . 0.0 OUTLIER -68.18 -41.16 24.58 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.31 -177.225 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 529' ' ' PRO . . . . . 0.681 ' CD ' ' N ' ' A' ' 528' ' ' ARG . 32.5 Cg_exo -56.52 -47.2 25.04 Favored 'Trans proline' 0 C--N 1.305 -1.722 0 C-N-CA 122.911 2.407 . . . . 0.0 112.272 -179.08 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 87.4 mt -68.28 -6.8 25.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.664 -179.248 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 28.6 mtmt 61.08 26.65 16.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.533 178.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 532' ' ' VAL . . . . . 0.455 ' O ' ' CG2' ' A' ' 532' ' ' VAL . 22.0 m -75.73 108.93 8.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.606 179.346 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 87.8 mtt-85 -95.01 -16.43 22.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.384 -179.543 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -129.42 138.47 51.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.155 -179.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 30.4 t30 -127.71 117.31 21.7 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.641 -0.424 . . . . 0.0 111.144 179.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 536' ' ' LEU . . . . . . . . . . . . . 43.4 tp -130.69 129.13 42.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.919 178.166 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 64.7 t -130.41 146.62 33.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.068 0.461 . . . . 0.0 111.162 -178.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 538' ' ' VAL . . . . . . . . . . . . . 33.0 m -138.8 131.52 15.84 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.093 178.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 539' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -73.01 132.85 18.84 Favored 'Trans proline' 0 C--N 1.304 -1.788 0 C-N-CA 122.761 2.307 . . . . 0.0 112.438 -175.172 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 540' ' ' MET . . . . . 0.531 ' SD ' ' O ' ' A' ' 573' ' ' ALA . 5.5 ttt -125.45 119.36 28.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.087 176.575 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 541' ' ' VAL . . . . . . . . . . . . . 26.2 m . . . . . 0 C--N 1.329 -0.315 0 CA-C-O 120.94 0.4 . . . . 0.0 111.103 -176.055 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 546' ' ' LEU . . . . . 0.413 ' CD2' ' CZ ' ' A' ' 465' ' ' PHE . 12.5 tp . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.814 0.34 . . . . 0.0 110.607 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 547' ' ' PHE . . . . . 0.414 ' CE2' ' CD2' ' A' ' 580' ' ' LEU . 60.4 t80 -115.0 -53.4 2.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.505 -179.08 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -171.17 -177.94 41.33 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -178.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 549' ' ' LEU . . . . . . . . . . . . . 4.0 mp -141.13 144.15 34.69 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.807 0.337 . . . . 0.0 110.602 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -96.95 125.98 41.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.283 178.13 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 551' ' ' ILE . . . . . 0.558 ' CD1' ' CE1' ' A' ' 463' ' ' TYR . 5.6 mt -117.45 139.52 44.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.965 0.412 . . . . 0.0 110.882 -178.582 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -124.26 114.51 19.69 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.156 178.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 553' ' ' HIS . . . . . 0.532 ' CE1' ' CG2' ' A' ' 551' ' ' ILE . 51.9 m80 -109.93 127.92 55.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.872 179.655 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 554' ' ' GLN . . . . . 0.453 ' OE1' ' O ' ' A' ' 557' ' ' GLU . 34.5 tt0 -89.17 117.98 28.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.591 175.151 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -90.91 -6.23 54.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.508 -176.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 556' ' ' SER . . . . . . . . . . . . . 89.3 p -95.46 -32.35 12.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.489 -178.073 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 557' ' ' GLU . . . . . 0.453 ' O ' ' OE1' ' A' ' 554' ' ' GLN . 2.6 pt-20 174.15 151.07 0.25 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.369 -178.423 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 558' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -72.05 125.34 10.83 Favored 'Trans proline' 0 C--N 1.304 -1.78 0 C-N-CA 122.803 2.336 . . . . 0.0 112.184 178.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 559' ' ' ARG . . . . . 0.433 ' NH1' ' O ' ' A' ' 455' ' ' LEU . 10.8 ptm180 -117.86 141.02 48.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.314 -177.232 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 560' ' ' GLN . . . . . . . . . . . . . 44.9 tp60 -78.52 117.12 19.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.679 176.3 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 561' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -58.96 145.56 41.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.355 -176.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.11 139.0 31.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.821 177.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 563' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -46.65 -42.63 16.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.478 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 564' ' ' ILE . . . . . . . . . . . . . 1.2 mt -74.13 -34.67 38.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.553 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 -65.94 -36.73 84.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.552 -179.126 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 566' ' ' ILE . . . . . 0.412 HG23 HD12 ' A' ' 566' ' ' ILE . 44.5 mm -66.03 -48.48 81.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.659 179.706 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -62.41 -47.93 81.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.624 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 568' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -61.92 -44.53 96.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.574 -179.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 569' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -66.81 -44.44 81.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.516 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 20.3 m -58.97 -36.67 75.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.474 177.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 82.8 mt-10 -61.35 -39.1 89.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.525 177.51 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 13.7 tp -57.99 -44.13 86.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.456 178.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 573' ' ' ALA . . . . . 0.531 ' O ' ' SD ' ' A' ' 540' ' ' MET . . . -65.98 -44.67 84.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.454 179.385 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 574' ' ' SER . . . . . . . . . . . . . 21.5 t -58.61 -31.77 68.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.495 179.285 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 20.7 m -61.96 -44.83 95.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.583 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -47.15 -38.32 11.44 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 178.464 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 18.7 m -56.43 -39.24 72.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.748 0.309 . . . . 0.0 110.541 178.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 57.6 mt -56.55 -49.56 74.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.601 178.08 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 94.1 t -73.77 -52.0 22.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.541 -179.416 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 580' ' ' LEU . . . . . 0.532 ' O ' ' N ' ' A' ' 584' ' ' HIS . 8.5 mp -52.61 -49.6 64.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.507 -179.573 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -56.01 -36.28 67.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.707 -179.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 582' ' ' ARG . . . . . . . . . . . . . 59.5 ttm-85 -73.7 -49.22 26.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.715 -179.35 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 62.4 mt -77.29 -49.84 14.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.67 -178.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 584' ' ' HIS . . . . . 0.567 ' O ' ' NE2' ' A' ' 588' ' ' GLN . 81.8 t60 -47.47 -43.78 24.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.659 -178.651 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 585' ' ' PHE . . . . . . . . . . . . . 31.4 m-85 -82.1 -52.62 6.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.63 -179.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 49.5 tp -56.99 -47.43 80.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.72 -178.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 587' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -59.9 -43.71 94.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.669 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 588' ' ' GLN . . . . . 0.691 ' NE2' ' N ' ' A' ' 588' ' ' GLN . 0.0 OUTLIER -67.32 -50.52 59.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.712 179.896 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 589' ' ' THR . . . . . . . . . . . . . 47.4 p -57.57 -32.74 67.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.636 -179.353 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 590' ' ' ILE . . . . . . . . . . . . . 2.2 mm . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.537 -179.554 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 439' ' ' ASP . . . . . 0.444 ' OD1' ' N ' ' A' ' 440' ' ' ARG . 56.0 t0 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.73 0.3 . . . . 0.0 110.624 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 440' ' ' ARG . . . . . 0.444 ' N ' ' OD1' ' A' ' 439' ' ' ASP . 74.2 ttt180 -55.64 -37.32 68.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.561 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 2.1 mm100 -69.79 -35.89 75.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.694 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -55.86 -54.73 41.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.573 -179.196 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 24.9 pt -59.37 -30.76 44.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.76 -178.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 444' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -78.48 -49.33 13.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.678 -179.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -56.28 -24.82 45.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.714 179.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 446' ' ' THR . . . . . 0.411 ' O ' ' N ' ' A' ' 449' ' ' ALA . 72.1 m -71.34 -59.59 2.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.56 -179.415 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 447' ' ' LEU . . . . . 0.445 ' H ' ' HG ' ' A' ' 447' ' ' LEU . 16.0 mt -39.27 -57.42 1.36 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.577 -179.264 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 448' ' ' VAL . . . . . . . . . . . . . 6.0 p -58.35 -37.57 64.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.619 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 449' ' ' ALA . . . . . 0.411 ' N ' ' O ' ' A' ' 446' ' ' THR . . . -55.94 -43.67 77.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.666 179.161 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 450' ' ' LYS . . . . . . . . . . . . . 80.2 mttt -74.27 -37.86 63.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.639 178.304 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . -50.73 -52.66 28.86 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.114 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 452' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -61.74 -38.78 89.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.729 0.299 . . . . 0.0 110.528 -178.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -74.13 -40.7 62.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.629 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 33.1 mt -67.55 -55.77 12.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.613 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 455' ' ' LEU . . . . . . . . . . . . . 93.5 mt -71.05 -25.14 62.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.584 179.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . 59.59 44.48 14.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.694 -176.443 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 457' ' ' CYS . . . . . 0.652 ' CB ' HE22 ' A' ' 554' ' ' GLN . 82.5 m -93.03 -159.1 0.65 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.47 -179.396 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 458' ' ' ASP . . . . . 0.469 ' N ' ' OE1' ' A' ' 554' ' ' GLN . 51.2 t0 -115.12 -28.75 6.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.627 -178.129 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 459' ' ' ARG . . . . . . . . . . . . . 26.4 ttm-85 -148.43 143.91 27.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.775 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 460' ' ' VAL . . . . . . . . . . . . . 62.0 t -148.0 143.74 19.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.292 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 461' ' ' ILE . . . . . . . . . . . . . 15.0 pt -140.16 148.9 22.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.931 -179.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 462' ' ' VAL . . . . . . . . . . . . . 40.6 t -111.97 133.35 57.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.398 178.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 463' ' ' TYR . . . . . 0.52 ' CE1' ' CD1' ' A' ' 551' ' ' ILE . 1.4 p90 -146.88 145.28 29.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.745 -178.812 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 464' ' ' ALA . . . . . . . . . . . . . . . -135.57 163.47 30.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.343 178.279 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 465' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -96.75 101.18 12.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.555 -178.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 466' ' ' ASP . . . . . 0.588 ' CG ' ' H ' ' A' ' 467' ' ' ASP . 31.1 t0 -73.12 -159.63 0.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.561 178.546 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 467' ' ' ASP . . . . . 0.588 ' H ' ' CG ' ' A' ' 466' ' ' ASP . 79.6 m-20 -91.71 15.61 12.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.512 -179.392 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 468' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -125.0 21.71 8.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.625 -178.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 469' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 52.27 16.76 0.63 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.609 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 470' ' ' VAL . . . . . . . . . . . . . 41.6 t -110.15 136.5 45.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.524 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -66.16 88.99 0.13 Allowed Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.904 -0.879 . . . . 0.0 110.904 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 472' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -47.72 133.82 13.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.774 0.321 . . . . 0.0 110.613 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 473' ' ' VAL . . . . . . . . . . . . . 4.1 t -76.44 89.06 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.501 -179.176 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 2.9 t -73.08 -69.05 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.643 178.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -151.28 141.33 22.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.508 178.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 476' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -123.89 130.8 53.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.602 179.415 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 9.8 t -132.61 114.92 14.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.493 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 478' ' ' VAL . . . . . . . . . . . . . 12.9 m -124.33 127.12 72.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.567 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 479' ' ' ALA . . . . . . . . . . . . . . . -57.82 168.57 0.89 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.541 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -61.75 144.15 55.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.541 -179.283 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 102.22 -31.0 9.21 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 178.115 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 482' ' ' TRP . . . . . . . . . . . . . 21.2 m95 -98.86 144.39 28.09 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 120.939 0.4 . . . . 0.0 110.671 178.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 483' ' ' PRO . . . . . 0.429 ' CD ' ' NZ ' ' A' ' 531' ' ' LYS . 59.9 Cg_endo -73.72 169.77 21.58 Favored 'Trans proline' 0 C--N 1.305 -1.763 0 C-N-CA 122.808 2.338 . . . . 0.0 112.094 -179.351 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -78.73 112.3 15.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.632 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -77.2 -10.16 59.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.552 -179.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 486' ' ' ARG . . . . . . . . . . . . . 65.5 ttt180 -53.53 -32.05 48.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.552 -179.547 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 487' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -71.46 -11.61 60.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.565 -179.196 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 92.1 mt-30 -105.01 117.77 34.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.542 -179.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 489' ' ' VAL . . . . . . . . . . . . . 59.2 t -102.3 117.41 47.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.495 179.116 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 5.5 pt -52.0 114.62 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.576 -179.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 79.0 tt0 -79.35 -33.36 43.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.587 -179.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 492' ' ' ASP . . . . . . . . . . . . . 37.1 t0 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.629 -179.481 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 503' ' ' TYR . . . . . 0.558 ' OH ' ' NE2' ' A' ' 509' ' ' GLN . 57.6 m-85 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.781 0.324 . . . . 0.0 110.53 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 56.1 ttp180 -59.47 -16.65 25.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.588 -179.302 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -103.76 -2.84 25.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.615 -179.255 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . 83.45 36.38 14.5 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -179.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 507' ' ' ARG . . . . . . . . . . . . . 60.9 ttm-85 -73.85 147.27 43.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.79 0.329 . . . . 0.0 110.541 -179.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 6.7 pt -107.29 123.36 62.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.601 178.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 509' ' ' GLN . . . . . 0.558 ' NE2' ' OH ' ' A' ' 503' ' ' TYR . 6.3 tt0 -113.01 118.28 34.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.53 -178.673 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 510' ' ' ALA . . . . . . . . . . . . . . . -128.79 102.3 6.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.598 178.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 511' ' ' THR . . . . . . . . . . . . . 4.1 m -110.4 105.46 14.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.533 -179.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 512' ' ' THR . . . . . . . . . . . . . 38.5 p -52.21 -20.2 2.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.592 178.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 513' ' ' ASP . . . . . 0.526 ' OD2' ' NZ ' ' A' ' 516' ' ' LYS . 4.3 p30 -168.19 116.68 0.73 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.567 -179.281 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 514' ' ' ILE . . . . . . . . . . . . . 84.6 mt -68.81 -2.54 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.498 179.092 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 515' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -75.74 -30.21 59.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.515 -178.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 516' ' ' LYS . . . . . 0.526 ' NZ ' ' OD2' ' A' ' 513' ' ' ASP . 49.6 mttp -90.39 27.91 1.58 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.534 179.062 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -133.22 142.64 48.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.612 -177.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . 40.99 46.91 4.13 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.936 -0.865 . . . . 0.0 110.936 177.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 519' ' ' LEU . . . . . 0.495 ' C ' ' H ' ' A' ' 521' ' ' GLU . 8.9 mt -44.77 154.88 0.12 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.754 0.311 . . . . 0.0 110.577 177.595 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 520' ' ' THR . . . . . 0.438 ' HG1' ' C ' ' A' ' 519' ' ' LEU . 1.9 m 72.25 -41.83 0.52 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.589 177.647 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 521' ' ' GLU . . . . . 0.495 ' H ' ' C ' ' A' ' 519' ' ' LEU . 78.8 mt-10 -66.98 159.66 28.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.447 -179.127 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 522' ' ' CYS . . . . . 0.681 ' O ' ' CG ' ' A' ' 523' ' ' HIS . 1.2 p -62.64 130.69 46.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.544 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 523' ' ' HIS . . . . . 0.681 ' CG ' ' O ' ' A' ' 522' ' ' CYS . 17.9 m170 -170.09 -78.68 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.638 -179.315 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 524' ' ' LEU . . . . . 0.686 ' O ' ' HB2' ' A' ' 528' ' ' ARG . 15.7 mt -45.52 -29.71 1.24 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.754 177.384 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 525' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -55.1 -44.28 74.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.72 -177.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 526' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -103.34 -7.52 20.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.576 -179.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 13.4 mt -104.4 -30.94 9.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.548 -177.061 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 528' ' ' ARG . . . . . 0.686 ' HB2' ' O ' ' A' ' 524' ' ' LEU . 0.0 OUTLIER -66.84 -42.69 45.04 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.331 -177.482 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 529' ' ' PRO . . . . . 0.666 ' CD ' ' N ' ' A' ' 528' ' ' ARG . 37.6 Cg_exo -55.51 -45.83 36.77 Favored 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 122.968 2.445 . . . . 0.0 112.205 -179.065 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 22.2 mt -68.04 -6.18 21.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.643 -179.344 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 531' ' ' LYS . . . . . 0.429 ' NZ ' ' CD ' ' A' ' 483' ' ' PRO . 22.6 mtmt 62.13 27.92 16.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.522 177.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 532' ' ' VAL . . . . . 0.468 ' O ' ' CG2' ' A' ' 532' ' ' VAL . 23.5 m -75.53 105.87 4.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.628 178.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 533' ' ' ARG . . . . . 0.463 ' NH1' ' O ' ' A' ' 556' ' ' SER . 89.7 mtt180 -91.82 -13.19 31.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.33 -179.659 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -135.63 141.89 45.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.132 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -128.34 119.91 25.99 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.711 -0.396 . . . . 0.0 111.254 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 536' ' ' LEU . . . . . . . . . . . . . 64.5 tp -132.5 128.1 36.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.979 177.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 64.0 t -130.14 147.49 33.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.063 0.458 . . . . 0.0 111.237 -177.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 538' ' ' VAL . . . . . . . . . . . . . 35.3 m -139.91 132.84 15.1 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.098 178.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 539' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -72.52 136.48 26.12 Favored 'Trans proline' 0 C--N 1.305 -1.76 0 C-N-CA 122.778 2.319 . . . . 0.0 112.486 -175.408 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 540' ' ' MET . . . . . 0.509 ' SD ' ' O ' ' A' ' 573' ' ' ALA . 5.2 ttt -133.68 116.36 15.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.078 176.569 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 541' ' ' VAL . . . . . . . . . . . . . 31.5 m . . . . . 0 C--N 1.327 -0.384 0 CA-C-O 121.002 0.43 . . . . 0.0 111.114 -176.202 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 546' ' ' LEU . . . . . . . . . . . . . 33.3 tp . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.833 0.349 . . . . 0.0 110.639 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 547' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -114.46 -53.89 2.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.466 -179.217 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -175.2 -177.45 44.29 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 -179.223 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 549' ' ' LEU . . . . . . . . . . . . . 5.3 mp -143.69 142.99 31.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.843 0.354 . . . . 0.0 110.548 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 550' ' ' LEU . . . . . 0.539 ' CD1' ' N ' ' A' ' 550' ' ' LEU . 7.4 mp -93.81 124.81 38.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.293 179.306 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 551' ' ' ILE . . . . . 0.539 ' CG2' ' CE1' ' A' ' 553' ' ' HIS . 5.2 mt -116.59 138.54 46.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.929 -178.82 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -123.96 114.16 19.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.269 178.152 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 553' ' ' HIS . . . . . 0.539 ' CE1' ' CG2' ' A' ' 551' ' ' ILE . 56.0 m80 -108.51 128.5 54.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.963 0.411 . . . . 0.0 110.803 -179.479 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 554' ' ' GLN . . . . . 0.652 HE22 ' CB ' ' A' ' 457' ' ' CYS . 4.3 tp-100 -88.01 114.76 24.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.643 174.549 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -89.0 -7.56 55.75 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.498 -176.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 556' ' ' SER . . . . . 0.463 ' O ' ' NH1' ' A' ' 533' ' ' ARG . 14.4 t -94.3 -32.42 13.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.541 -177.791 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 173.86 150.76 0.24 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.419 -178.219 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 558' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -70.22 124.58 11.03 Favored 'Trans proline' 0 C--N 1.304 -1.791 0 C-N-CA 122.751 2.301 . . . . 0.0 112.289 178.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 559' ' ' ARG . . . . . 0.512 ' NH2' ' OE1' ' A' ' 565' ' ' GLU . 9.0 ptm180 -117.65 140.69 49.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.372 -176.748 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 560' ' ' GLN . . . . . . . . . . . . . 39.0 tp60 -78.23 116.87 18.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.652 176.354 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 561' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -60.12 146.83 41.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.323 -177.296 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -93.01 139.16 30.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.873 177.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 563' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -47.41 -42.73 22.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.488 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 564' ' ' ILE . . . . . 0.408 HD13 HG21 ' A' ' 564' ' ' ILE . 6.3 mm -74.71 -34.33 33.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.506 179.531 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 565' ' ' GLU . . . . . 0.512 ' OE1' ' NH2' ' A' ' 559' ' ' ARG . 90.1 mt-10 -68.03 -37.9 81.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.558 -179.478 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 566' ' ' ILE . . . . . . . . . . . . . 98.1 mt -68.25 -48.85 71.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.547 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -61.64 -45.44 94.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.581 -179.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 568' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -64.8 -43.46 93.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.538 -179.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 569' ' ' PHE . . . . . . . . . . . . . 50.1 t80 -63.96 -42.49 97.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.502 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 23.1 t -60.86 -39.78 90.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.459 178.036 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 -57.34 -39.57 76.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.521 177.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 13.2 tp -58.77 -43.94 90.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.498 178.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 573' ' ' ALA . . . . . 0.509 ' O ' ' SD ' ' A' ' 540' ' ' MET . . . -65.47 -45.85 82.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.436 179.782 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 574' ' ' SER . . . . . . . . . . . . . 20.2 t -62.4 -33.55 74.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.602 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 31.9 m -53.72 -54.95 30.8 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.515 -178.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -52.64 -36.88 49.57 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 577' ' ' SER . . . . . 0.42 ' OG ' ' CG ' ' A' ' 540' ' ' MET . 1.9 m -59.7 -37.37 78.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.783 0.325 . . . . 0.0 110.519 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 33.9 mt -57.17 -53.21 60.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.557 -178.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 72.0 t -70.44 -52.77 26.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.482 -178.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 580' ' ' LEU . . . . . . . . . . . . . 7.4 mp -50.56 -33.94 23.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.568 -179.232 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 581' ' ' GLU . . . . . 0.458 ' O ' ' CD1' ' A' ' 585' ' ' PHE . 85.9 tt0 -58.29 -55.22 37.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.629 -179.539 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 582' ' ' ARG . . . . . . . . . . . . . 93.1 mtt180 -83.31 -33.3 25.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.823 -179.167 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 583' ' ' LEU . . . . . 0.419 ' C ' ' CD2' ' A' ' 583' ' ' LEU . 3.5 tt -67.38 -61.23 2.01 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.651 -178.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 584' ' ' HIS . . . . . . . . . . . . . 76.9 t60 -54.67 -43.26 72.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.602 -178.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 585' ' ' PHE . . . . . 0.458 ' CD1' ' O ' ' A' ' 581' ' ' GLU . 9.5 m-85 -67.03 -44.77 79.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.671 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 27.7 tp -49.78 -51.21 41.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.642 179.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 587' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -53.97 -35.69 62.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.635 178.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 588' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -62.89 -47.41 83.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.657 179.607 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 589' ' ' THR . . . . . . . . . . . . . 36.3 m -57.49 -34.1 68.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.553 -179.074 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 590' ' ' ILE . . . . . . . . . . . . . 73.4 mt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.614 -178.946 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 439' ' ' ASP . . . . . 0.449 ' OD1' ' N ' ' A' ' 440' ' ' ARG . 56.5 t0 . . . . . 0 CA--C 1.527 0.071 0 CA-C-O 120.8 0.333 . . . . 0.0 110.538 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 440' ' ' ARG . . . . . 0.449 ' N ' ' OD1' ' A' ' 439' ' ' ASP . 82.0 mtp180 -55.94 -34.13 65.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.602 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 3.0 mm100 -68.94 -38.03 79.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.654 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -56.59 -54.67 43.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.714 -179.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 28.3 pt -60.32 -30.46 46.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.704 -179.101 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 444' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -79.56 -49.11 12.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.664 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -56.89 -23.99 48.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.74 179.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 446' ' ' THR . . . . . 0.405 ' O ' ' C ' ' A' ' 447' ' ' LEU . 78.4 m -72.69 -59.49 2.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.635 -179.26 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 447' ' ' LEU . . . . . 0.455 ' H ' ' HG ' ' A' ' 447' ' ' LEU . 15.8 mt -39.19 -58.29 1.19 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.611 -179.219 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 448' ' ' VAL . . . . . 0.492 ' CG2' ' HG ' ' A' ' 477' ' ' SER . 7.1 p -57.43 -37.78 59.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.61 -179.739 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 449' ' ' ALA . . . . . 0.402 ' N ' ' O ' ' A' ' 446' ' ' THR . . . -56.75 -45.09 82.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.623 179.201 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 450' ' ' LYS . . . . . . . . . . . . . 82.0 mttt -71.18 -43.62 67.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.657 178.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . -48.49 -48.95 27.55 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 452' ' ' ARG . . . . . . . . . . . . . 59.4 ttp180 -58.14 -42.89 86.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.826 0.346 . . . . 0.0 110.638 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -74.38 -38.09 63.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.659 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 33.5 mt -67.62 -56.49 9.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.574 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 455' ' ' LEU . . . . . 0.416 ' CD1' ' CE1' ' A' ' 569' ' ' PHE . 87.3 mt -70.73 -26.55 63.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.55 179.33 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . 59.56 44.16 15.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.684 -175.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 457' ' ' CYS . . . . . 0.588 ' SG ' ' NH1' ' A' ' 559' ' ' ARG . 65.0 m -91.38 -159.42 0.64 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.495 -179.46 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 458' ' ' ASP . . . . . 0.448 ' N ' ' NE2' ' A' ' 554' ' ' GLN . 52.7 t0 -114.87 -28.86 6.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.584 -178.282 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 459' ' ' ARG . . . . . 0.671 HH21 ' ND1' ' A' ' 553' ' ' HIS . 10.5 ttp180 -148.08 142.67 26.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.703 -179.49 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 460' ' ' VAL . . . . . 0.423 ' O ' ' O ' ' A' ' 477' ' ' SER . 39.8 t -148.83 144.2 18.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.287 179.558 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 461' ' ' ILE . . . . . . . . . . . . . 13.9 pt -143.12 152.21 16.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.869 0.366 . . . . 0.0 110.829 -178.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 462' ' ' VAL . . . . . . . . . . . . . 45.5 t -113.23 133.18 59.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.339 177.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 463' ' ' TYR . . . . . 0.57 ' CD1' ' C ' ' A' ' 463' ' ' TYR . 0.0 OUTLIER -144.01 145.33 32.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.744 -177.954 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 464' ' ' ALA . . . . . 0.502 ' N ' ' CD1' ' A' ' 463' ' ' TYR . . . -137.92 164.91 27.82 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.425 176.784 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 465' ' ' PHE . . . . . 0.477 ' CG ' ' O ' ' A' ' 465' ' ' PHE . 17.0 p90 -107.75 109.42 20.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.586 -179.051 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 466' ' ' ASP . . . . . 0.599 ' CG ' ' H ' ' A' ' 467' ' ' ASP . 31.2 t0 -73.63 -156.21 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.56 179.172 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 467' ' ' ASP . . . . . 0.599 ' H ' ' CG ' ' A' ' 466' ' ' ASP . 43.8 t0 -89.88 18.06 6.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.55 -179.811 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 468' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -126.49 8.14 7.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.555 -178.534 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 469' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 64.03 17.53 10.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.572 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 470' ' ' VAL . . . . . . . . . . . . . 98.3 t -103.81 135.39 41.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.614 179.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -63.97 106.02 1.28 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 472' ' ' THR . . . . . . . . . . . . . 63.8 m -65.73 135.91 55.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.81 0.338 . . . . 0.0 110.589 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 473' ' ' VAL . . . . . . . . . . . . . 4.5 m -85.7 71.63 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.504 -179.429 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 2.8 t -60.16 -68.07 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.678 179.239 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -151.81 141.9 22.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.592 179.062 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 476' ' ' GLU . . . . . 0.519 ' OE1' ' N ' ' A' ' 486' ' ' ARG . 63.5 tt0 -127.31 134.54 50.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.521 179.215 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 477' ' ' SER . . . . . 0.492 ' HG ' ' CG2' ' A' ' 448' ' ' VAL . 25.1 p -132.35 113.79 13.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.474 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 478' ' ' VAL . . . . . . . . . . . . . 24.7 m -123.99 127.4 73.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.684 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 479' ' ' ALA . . . . . . . . . . . . . . . -58.06 167.36 1.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.569 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -61.33 145.93 49.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.54 -179.248 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 100.35 -31.07 8.94 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 177.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 482' ' ' TRP . . . . . . . . . . . . . 22.4 m95 -98.5 141.12 22.4 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 120.948 0.404 . . . . 0.0 110.651 178.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 483' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_endo -74.49 173.23 14.64 Favored 'Trans proline' 0 C--N 1.306 -1.701 0 C-N-CA 122.845 2.363 . . . . 0.0 112.111 -179.104 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -87.54 119.78 28.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.646 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 485' ' ' ALA . . . . . 0.51 ' N ' ' OE2' ' A' ' 476' ' ' GLU . . . -75.95 -8.36 56.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.55 -179.615 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 486' ' ' ARG . . . . . 0.519 ' N ' ' OE1' ' A' ' 476' ' ' GLU . 74.3 ttt180 -50.32 -29.78 10.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.615 -179.347 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 487' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -67.8 -15.42 63.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.543 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -108.11 114.44 28.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.559 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 489' ' ' VAL . . . . . . . . . . . . . 9.9 p -91.74 113.32 26.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.523 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 62.0 mt -45.7 103.94 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.599 179.49 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -79.37 -31.7 42.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.551 -179.655 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 492' ' ' ASP . . . . . . . . . . . . . 39.7 t0 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.541 -179.623 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.798 0.333 . . . . 0.0 110.58 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 56.7 ttp180 -54.8 -17.68 3.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.595 179.021 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -87.9 -10.07 51.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.633 179.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . 80.61 2.75 90.0 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 507' ' ' ARG . . . . . 0.6 ' CG ' ' H ' ' A' ' 508' ' ' ILE . 32.4 ttm180 -57.26 175.64 0.14 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.828 0.347 . . . . 0.0 110.577 -179.024 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 508' ' ' ILE . . . . . 0.6 ' H ' ' CG ' ' A' ' 507' ' ' ARG . 71.4 mt -115.16 136.03 53.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.618 -179.181 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 509' ' ' GLN . . . . . . . . . . . . . 11.3 tp-100 -112.13 119.77 39.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.567 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 510' ' ' ALA . . . . . . . . . . . . . . . -129.69 101.62 5.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.581 179.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 511' ' ' THR . . . . . . . . . . . . . 5.1 m -109.35 103.69 12.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.612 179.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 512' ' ' THR . . . . . . . . . . . . . 41.6 p -51.57 -20.48 1.97 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.455 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 513' ' ' ASP . . . . . 0.438 ' OD1' ' O ' ' A' ' 513' ' ' ASP . 15.3 p30 -168.81 116.47 0.66 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.563 -178.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 514' ' ' ILE . . . . . 0.413 HD12 HG23 ' A' ' 514' ' ' ILE . 87.5 mt -68.46 -2.32 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.52 178.784 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 515' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -72.02 -29.38 64.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.548 -179.107 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 77.4 mttt -93.27 27.58 2.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.543 179.334 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -130.88 141.05 50.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.486 -177.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . 41.04 44.81 3.72 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 177.191 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 519' ' ' LEU . . . . . 0.562 ' C ' ' H ' ' A' ' 521' ' ' GLU . 2.1 mt -42.47 155.69 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.756 0.312 . . . . 0.0 110.661 177.766 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 520' ' ' THR . . . . . 0.485 ' OG1' ' O ' ' A' ' 519' ' ' LEU . 2.2 p 67.83 -41.7 0.44 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.622 178.08 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 521' ' ' GLU . . . . . 0.562 ' H ' ' C ' ' A' ' 519' ' ' LEU . 58.8 tt0 -66.95 162.44 21.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.391 -178.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 522' ' ' CYS . . . . . 0.696 ' O ' ' CG ' ' A' ' 523' ' ' HIS . 0.8 OUTLIER -58.28 124.52 19.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.544 179.326 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 523' ' ' HIS . . . . . 0.696 ' CG ' ' O ' ' A' ' 522' ' ' CYS . 13.0 m170 -173.19 -80.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.646 -178.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 524' ' ' LEU . . . . . 0.509 ' O ' ' N ' ' A' ' 528' ' ' ARG . 0.6 OUTLIER -49.5 -34.87 18.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.754 178.169 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 525' ' ' ASN . . . . . . . . . . . . . 47.2 t-20 -58.42 -41.5 85.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.672 -178.15 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 526' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -100.51 -8.7 22.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.588 -178.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 17.2 mt -105.37 -24.12 12.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.58 -178.173 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 528' ' ' ARG . . . . . 0.708 ' N ' ' CD ' ' A' ' 529' ' ' PRO . 18.0 tpt180 -67.28 -39.9 23.76 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.274 -177.794 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 529' ' ' PRO . . . . . 0.708 ' CD ' ' N ' ' A' ' 528' ' ' ARG . 34.9 Cg_exo -59.66 -46.46 20.28 Favored 'Trans proline' 0 C--N 1.306 -1.69 0 C-N-CA 122.922 2.415 . . . . 0.0 112.225 -177.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 49.7 mt -67.73 -8.53 36.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.704 -178.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 19.8 mtmt 62.61 27.66 16.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.474 178.167 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 532' ' ' VAL . . . . . 0.416 ' O ' ' CG2' ' A' ' 532' ' ' VAL . 31.2 m -76.46 108.75 9.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.671 178.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 69.0 mtp85 -95.38 -14.39 23.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.311 -179.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -131.92 139.68 48.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.1 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 29.6 t30 -127.9 118.54 23.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.921 0.391 . . . . 0.0 111.198 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 536' ' ' LEU . . . . . . . . . . . . . 64.5 tp -132.89 126.69 32.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.953 176.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 39.2 t -127.83 144.35 37.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.923 0.392 . . . . 0.0 111.237 -176.476 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 538' ' ' VAL . . . . . 0.433 ' O ' HG21 ' A' ' 538' ' ' VAL . 27.1 m -155.28 82.16 3.95 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.093 178.693 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 539' ' ' PRO . . . . . . . . . . . . . 78.7 Cg_endo -87.22 137.73 4.51 Favored 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.807 2.338 . . . . 0.0 112.445 -176.463 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 540' ' ' MET . . . . . 0.533 ' SD ' ' O ' ' A' ' 573' ' ' ALA . 5.9 ptt? -92.67 150.28 20.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.101 177.182 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 541' ' ' VAL . . . . . . . . . . . . . 20.5 m . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.148 -176.484 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 546' ' ' LEU . . . . . 0.566 ' CD1' ' N ' ' A' ' 546' ' ' LEU . 6.7 mp . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.801 0.334 . . . . 0.0 110.575 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 547' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -116.72 -37.17 3.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.55 -179.338 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -156.73 161.26 30.88 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 -178.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 549' ' ' LEU . . . . . 0.469 ' N ' HD13 ' A' ' 549' ' ' LEU . 1.4 mp -137.44 114.5 10.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.813 0.339 . . . . 0.0 110.623 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 550' ' ' LEU . . . . . 0.427 ' CD1' ' N ' ' A' ' 550' ' ' LEU . 10.4 mp -94.35 113.54 25.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.292 179.441 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 551' ' ' ILE . . . . . 0.513 ' CG2' ' CE1' ' A' ' 553' ' ' HIS . 9.8 mt -118.66 139.35 46.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.916 -178.268 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -124.83 116.53 22.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.195 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 553' ' ' HIS . . . . . 0.671 ' ND1' HH21 ' A' ' 459' ' ' ARG . 48.1 m80 -109.94 128.62 55.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.905 0.383 . . . . 0.0 110.822 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 554' ' ' GLN . . . . . 0.508 HE22 ' C ' ' A' ' 457' ' ' CYS . 23.3 tp60 -88.24 112.78 23.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.65 174.755 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -87.62 -7.34 57.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.452 -176.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 556' ' ' SER . . . . . . . . . . . . . 86.0 p -94.26 -31.4 14.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.477 -177.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 173.3 150.13 0.23 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.364 -178.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 558' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_endo -70.05 125.11 11.62 Favored 'Trans proline' 0 C--N 1.305 -1.72 0 C-N-CA 122.826 2.351 . . . . 0.0 112.188 179.02 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 559' ' ' ARG . . . . . 0.588 ' NH1' ' SG ' ' A' ' 457' ' ' CYS . 15.6 ptm180 -117.19 140.17 49.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.349 -176.392 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 560' ' ' GLN . . . . . . . . . . . . . 36.4 tp60 -78.57 116.19 18.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.638 176.239 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 561' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -59.99 136.7 58.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.337 -177.161 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.4 138.81 35.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.836 177.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 563' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -47.37 -43.23 23.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.48 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 564' ' ' ILE . . . . . . . . . . . . . 5.0 mm -74.07 -35.03 40.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.584 179.463 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -67.52 -37.01 82.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.558 -179.489 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 566' ' ' ILE . . . . . . . . . . . . . 96.7 mt -66.61 -50.19 68.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.68 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 61.8 t0 -61.77 -45.83 92.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.59 -179.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 568' ' ' GLN . . . . . 0.606 ' O ' ' HG2' ' A' ' 571' ' ' GLU . 43.1 mt-30 -63.39 -45.97 88.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.57 -179.266 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 569' ' ' PHE . . . . . 0.416 ' CE1' ' CD1' ' A' ' 455' ' ' LEU . 47.5 t80 -62.74 -42.71 99.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.495 -179.466 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 84.4 p -61.61 -27.75 68.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.483 178.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 571' ' ' GLU . . . . . 0.606 ' HG2' ' O ' ' A' ' 568' ' ' GLN . 3.9 pt-20 -66.49 -39.24 88.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.478 179.142 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 572' ' ' LEU . . . . . 0.568 ' N ' ' HG2' ' A' ' 571' ' ' GLU . 12.9 tp -59.1 -43.98 91.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.551 179.105 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 573' ' ' ALA . . . . . 0.533 ' O ' ' SD ' ' A' ' 540' ' ' MET . . . -65.58 -45.65 82.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.468 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 574' ' ' SER . . . . . 0.451 ' O ' ' OG ' ' A' ' 577' ' ' SER . 85.2 p -61.68 -32.01 72.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.529 179.701 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 31.9 m -56.34 -53.5 56.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.579 -179.042 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 576' ' ' GLY . . . . . 0.506 ' O ' ' N ' ' A' ' 580' ' ' LEU . . . -53.07 -38.77 56.48 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 577' ' ' SER . . . . . 0.451 ' OG ' ' O ' ' A' ' 574' ' ' SER . 19.0 p -58.73 -28.68 66.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.765 0.316 . . . . 0.0 110.488 -179.421 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 21.4 mt -68.14 -53.46 25.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.54 -179.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 579' ' ' VAL . . . . . 0.475 ' CG1' ' N ' ' A' ' 580' ' ' LEU . 10.9 p -85.06 -45.57 17.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.528 -178.81 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 580' ' ' LEU . . . . . 0.506 ' N ' ' O ' ' A' ' 576' ' ' GLY . 38.8 tp -48.82 -40.52 29.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.534 -179.55 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -67.08 -53.38 31.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.608 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 582' ' ' ARG . . . . . . . . . . . . . 52.6 mtm180 -66.73 -35.2 79.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.676 -179.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 50.8 tp -73.51 -56.69 4.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.636 -179.396 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 584' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -49.5 -39.17 33.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.641 -179.332 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 585' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -73.01 -48.59 34.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.664 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 28.1 tp -50.58 -51.36 49.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.75 179.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 587' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -57.94 -37.43 74.09 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.659 179.065 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 588' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -64.61 -51.57 61.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.674 -179.139 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 589' ' ' THR . . . . . . . . . . . . . 71.0 p -60.39 -30.43 69.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.58 -178.376 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 590' ' ' ILE . . . . . 0.408 HG21 HD12 ' A' ' 590' ' ' ILE . 35.2 mt . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.572 -179.021 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 54.6 p30 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.772 0.32 . . . . 0.0 110.615 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 68.6 ttt180 -55.5 -33.77 64.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.542 -179.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -69.98 -33.69 72.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.683 -179.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -57.03 -55.25 37.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.72 -179.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 24.5 pt -59.04 -29.14 40.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.764 -179.29 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 444' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -79.17 -49.22 12.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.617 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -56.73 -25.56 54.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.661 179.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 446' ' ' THR . . . . . 0.468 ' O ' ' N ' ' A' ' 449' ' ' ALA . 98.0 m -71.06 -60.26 2.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.628 -179.319 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 447' ' ' LEU . . . . . 0.419 ' H ' ' HG ' ' A' ' 447' ' ' LEU . 16.6 mt -38.42 -55.66 1.35 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.591 -179.552 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 448' ' ' VAL . . . . . . . . . . . . . 7.7 p -61.14 -35.49 66.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.674 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 449' ' ' ALA . . . . . 0.468 ' N ' ' O ' ' A' ' 446' ' ' THR . . . -59.46 -46.98 87.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.681 179.473 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 450' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -68.51 -45.44 72.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.632 178.199 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . -48.29 -47.2 28.04 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 179.189 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 452' ' ' ARG . . . . . . . . . . . . . 68.9 ttp85 -56.62 -43.81 80.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.828 0.346 . . . . 0.0 110.665 179.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -77.27 -38.34 51.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.655 -179.28 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 39.3 mt -66.47 -59.07 3.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.649 -179.358 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 455' ' ' LEU . . . . . 0.445 ' CD1' ' CE1' ' A' ' 569' ' ' PHE . 88.7 mt -71.26 -26.77 63.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.549 179.2 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . 59.5 42.47 17.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.612 -175.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 457' ' ' CYS . . . . . 0.525 ' SG ' ' O ' ' A' ' 459' ' ' ARG . 40.2 t -94.2 138.61 32.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.429 -178.467 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 458' ' ' ASP . . . . . 0.774 ' H ' ' NE2' ' A' ' 554' ' ' GLN . 45.0 t0 -48.7 -32.86 9.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.601 178.814 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 459' ' ' ARG . . . . . 0.525 ' O ' ' SG ' ' A' ' 457' ' ' CYS . 21.7 mtp-105 -147.14 144.97 29.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.751 -178.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 460' ' ' VAL . . . . . . . . . . . . . 7.5 p -150.88 145.02 16.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.276 178.474 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 461' ' ' ILE . . . . . . . . . . . . . 13.9 pt -144.45 153.17 15.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.871 -178.134 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 462' ' ' VAL . . . . . . . . . . . . . 93.0 t -113.52 134.19 57.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.345 177.439 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 463' ' ' TYR . . . . . 0.547 ' O ' ' CD1' ' A' ' 463' ' ' TYR . 0.0 OUTLIER -141.32 142.28 33.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.704 -177.913 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 464' ' ' ALA . . . . . . . . . . . . . . . -136.47 164.32 28.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.346 177.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 465' ' ' PHE . . . . . 0.487 ' O ' ' CD2' ' A' ' 465' ' ' PHE . 13.3 p90 -100.51 104.39 15.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.539 -179.178 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 466' ' ' ASP . . . . . 0.604 ' CG ' ' H ' ' A' ' 467' ' ' ASP . 35.9 t0 -72.45 -159.37 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.496 179.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 467' ' ' ASP . . . . . 0.604 ' H ' ' CG ' ' A' ' 466' ' ' ASP . 88.2 m-20 -92.5 14.14 17.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.618 -179.269 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 468' ' ' ASN . . . . . 0.472 ' C ' ' H ' ' A' ' 470' ' ' VAL . 0.6 OUTLIER -124.98 28.38 6.44 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.544 -178.484 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 469' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 46.83 15.77 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.629 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 470' ' ' VAL . . . . . 0.472 ' H ' ' C ' ' A' ' 468' ' ' ASN . 25.3 t -108.32 133.8 52.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.582 179.132 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -65.6 98.35 0.33 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 472' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -57.23 130.83 47.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.858 0.361 . . . . 0.0 110.613 179.701 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 473' ' ' VAL . . . . . . . . . . . . . 3.1 m -78.61 79.67 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.532 -179.194 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 2.0 t -59.07 -67.16 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.631 178.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -150.7 141.42 22.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.56 179.052 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 476' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -125.59 131.69 52.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.611 179.171 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 23.1 t -134.89 118.66 17.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.474 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 478' ' ' VAL . . . . . 0.489 ' CG1' HH21 ' A' ' 459' ' ' ARG . 4.7 m -123.78 126.64 73.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.568 179.733 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 479' ' ' ALA . . . . . . . . . . . . . . . -57.48 169.05 0.69 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.491 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 480' ' ' GLU . . . . . 0.465 ' CD ' ' H ' ' A' ' 480' ' ' GLU . 47.9 mp0 -61.72 143.75 55.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.58 -179.149 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 100.15 -30.55 9.89 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.871 -0.892 . . . . 0.0 110.871 178.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 482' ' ' TRP . . . . . . . . . . . . . 13.1 m95 -100.59 146.66 32.43 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 120.964 0.412 . . . . 0.0 110.668 178.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 483' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -78.28 168.39 21.74 Favored 'Trans proline' 0 C--N 1.304 -1.782 0 C-N-CA 122.889 2.393 . . . . 0.0 112.093 -178.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 484' ' ' GLN . . . . . 0.442 ' NE2' ' CG2' ' A' ' 478' ' ' VAL . 80.9 mm-40 -80.1 117.35 20.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.681 179.701 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -76.15 -10.5 59.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.491 -179.458 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 486' ' ' ARG . . . . . . . . . . . . . 71.0 ttt180 -54.5 -31.82 56.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.606 -179.367 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 487' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -68.57 -11.79 60.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.551 -179.183 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -105.76 116.46 31.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.516 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 489' ' ' VAL . . . . . . . . . . . . . 91.0 t -89.86 103.65 14.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.554 179.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 490' ' ' ILE . . . . . 0.437 HD13 HG22 ' A' ' 490' ' ' ILE . 4.9 pt -51.99 116.32 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.554 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 42.7 tp10 -78.87 -24.54 44.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.551 -179.016 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 492' ' ' ASP . . . . . . . . . . . . . 43.3 t0 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.538 -179.811 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 503' ' ' TYR . . . . . 0.419 ' CD1' ' CD2' ' A' ' 549' ' ' LEU . 75.0 m-85 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.872 0.368 . . . . 0.0 110.589 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 10.9 tpp85 -62.36 -17.58 59.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.561 -179.284 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -105.81 -2.88 22.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.644 -179.098 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . 84.3 37.5 10.96 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.45 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 507' ' ' ARG . . . . . 0.557 HH12 ' NE2' ' A' ' 509' ' ' GLN . 57.4 ttt-85 -73.28 147.13 44.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.696 0.284 . . . . 0.0 110.6 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 78.9 mt -107.19 123.56 62.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.602 179.203 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 509' ' ' GLN . . . . . 0.557 ' NE2' HH12 ' A' ' 507' ' ' ARG . 6.4 tp-100 -112.74 118.07 33.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.503 -179.031 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 510' ' ' ALA . . . . . . . . . . . . . . . -127.86 101.16 6.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.589 178.123 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 511' ' ' THR . . . . . . . . . . . . . 4.7 m -110.3 105.15 14.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.567 -179.155 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 512' ' ' THR . . . . . . . . . . . . . 37.1 p -52.41 -20.71 3.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.515 179.304 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 513' ' ' ASP . . . . . 0.508 ' N ' ' OD1' ' A' ' 513' ' ' ASP . 17.2 p-10 -168.03 117.76 0.78 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.566 -179.073 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 514' ' ' ILE . . . . . 0.413 ' O ' ' CG2' ' A' ' 514' ' ' ILE . 92.1 mt -70.36 -1.27 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.551 178.553 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 515' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -69.9 -29.13 66.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.544 -178.076 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 18.5 pttp -94.72 29.1 2.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.55 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -129.78 141.46 50.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.535 -177.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . 41.36 44.09 3.86 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 176.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 519' ' ' LEU . . . . . 0.526 ' C ' ' H ' ' A' ' 521' ' ' GLU . 1.5 mt -43.1 157.71 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.854 0.359 . . . . 0.0 110.594 178.063 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 520' ' ' THR . . . . . . . . . . . . . 2.9 m 68.14 -44.36 0.5 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.579 178.363 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 521' ' ' GLU . . . . . 0.526 ' H ' ' C ' ' A' ' 519' ' ' LEU . 61.0 tt0 -65.64 160.43 22.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.518 -179.581 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 522' ' ' CYS . . . . . 0.69 ' O ' ' CG ' ' A' ' 523' ' ' HIS . 1.5 p -60.71 126.77 28.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.497 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 523' ' ' HIS . . . . . 0.69 ' CG ' ' O ' ' A' ' 522' ' ' CYS . 14.5 m170 -172.06 -79.98 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.642 -178.569 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 524' ' ' LEU . . . . . 0.559 ' O ' ' N ' ' A' ' 528' ' ' ARG . 0.6 OUTLIER -47.76 -33.0 6.53 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.645 177.815 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 525' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -58.09 -41.52 83.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.718 -177.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 526' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -98.42 -8.81 26.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.6 -177.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 43.1 mt -106.86 -25.46 11.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.506 -178.271 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 528' ' ' ARG . . . . . 0.712 ' N ' ' CD ' ' A' ' 529' ' ' PRO . 10.0 tpt180 -66.57 -38.98 21.91 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.294 -178.098 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 529' ' ' PRO . . . . . 0.712 ' CD ' ' N ' ' A' ' 528' ' ' ARG . 31.9 Cg_exo -61.04 -44.81 22.38 Favored 'Trans proline' 0 C--N 1.305 -1.718 0 C-N-CA 122.983 2.455 . . . . 0.0 112.184 -178.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 530' ' ' LEU . . . . . 0.512 ' C ' ' HZ2' ' A' ' 531' ' ' LYS . 76.5 mt -70.64 -8.28 50.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.689 -179.383 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 531' ' ' LYS . . . . . 0.512 ' HZ2' ' C ' ' A' ' 530' ' ' LEU . 5.3 mtmp? 64.91 26.83 12.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.605 178.656 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 532' ' ' VAL . . . . . 0.415 ' O ' ' CG2' ' A' ' 532' ' ' VAL . 31.0 m -76.46 109.18 10.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.647 179.064 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 86.3 mtt180 -100.81 -14.4 18.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.434 -179.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -127.83 136.93 52.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.141 -179.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 23.3 t30 -127.75 117.26 21.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.937 0.399 . . . . 0.0 111.178 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 536' ' ' LEU . . . . . . . . . . . . . 52.7 tp -130.47 128.31 40.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.988 178.206 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 50.5 t -131.07 147.62 33.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.999 0.428 . . . . 0.0 111.19 -178.089 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 538' ' ' VAL . . . . . . . . . . . . . 18.4 m -139.69 132.17 15.08 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.057 178.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 539' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -72.83 137.32 26.84 Favored 'Trans proline' 0 C--N 1.304 -1.79 0 C-N-CA 122.734 2.289 . . . . 0.0 112.535 -175.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 540' ' ' MET . . . . . 0.514 ' SD ' ' O ' ' A' ' 573' ' ' ALA . 2.9 ttt -128.37 119.57 25.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.119 176.625 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 541' ' ' VAL . . . . . . . . . . . . . 23.4 m . . . . . 0 C--N 1.329 -0.303 0 CA-C-O 121.029 0.443 . . . . 0.0 111.093 -176.024 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 546' ' ' LEU . . . . . . . . . . . . . 16.4 tp . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.91 0.386 . . . . 0.0 110.536 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 547' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -110.22 -51.06 2.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.465 -178.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -171.58 -178.8 42.21 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.914 -0.875 . . . . 0.0 110.914 -178.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 549' ' ' LEU . . . . . 0.424 HD12 ' N ' ' A' ' 549' ' ' LEU . 3.5 mp -139.1 139.93 37.83 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.825 0.345 . . . . 0.0 110.545 -179.388 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 550' ' ' LEU . . . . . 0.563 ' CD1' ' N ' ' A' ' 550' ' ' LEU . 7.3 mp -93.27 124.68 37.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.317 178.58 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 551' ' ' ILE . . . . . 0.508 ' CG2' ' CE1' ' A' ' 553' ' ' HIS . 4.7 mt -118.49 139.59 45.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.948 0.404 . . . . 0.0 110.836 -177.558 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -126.06 118.2 24.81 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.195 178.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 553' ' ' HIS . . . . . 0.508 ' CE1' ' CG2' ' A' ' 551' ' ' ILE . 47.1 m80 -111.99 129.39 56.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.825 -179.689 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 554' ' ' GLN . . . . . 0.774 ' NE2' ' H ' ' A' ' 458' ' ' ASP . 22.4 tp60 -89.95 118.01 29.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.649 174.556 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -90.56 -5.5 55.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.514 -176.594 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 556' ' ' SER . . . . . . . . . . . . . 7.5 t -96.04 -31.26 13.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.5 -178.058 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 173.72 149.34 0.23 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.337 -178.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 558' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -69.4 124.49 11.29 Favored 'Trans proline' 0 C--N 1.303 -1.819 0 C-N-CA 122.778 2.319 . . . . 0.0 112.239 178.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -118.18 140.43 49.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.329 -176.47 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 560' ' ' GLN . . . . . . . . . . . . . 65.3 tp60 -78.62 119.4 21.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.676 176.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 561' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -62.15 143.01 57.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.351 -177.536 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 74.6 mm-40 -87.66 142.06 28.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.796 177.36 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 563' ' ' GLU . . . . . . . . . . . . . 44.9 tp10 -48.48 -40.36 26.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.531 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 564' ' ' ILE . . . . . 0.64 ' CD1' ' H ' ' A' ' 564' ' ' ILE . 0.0 OUTLIER -75.15 -32.95 27.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.546 -179.81 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 46.6 mm-40 -66.62 -37.86 85.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.605 -179.325 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 566' ' ' ILE . . . . . 0.441 HG21 HD11 ' A' ' 566' ' ' ILE . 97.4 mt -67.7 -47.33 80.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.648 179.746 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -64.1 -49.03 73.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.566 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 568' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -61.69 -44.19 97.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.56 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 569' ' ' PHE . . . . . 0.445 ' CE1' ' CD1' ' A' ' 455' ' ' LEU . 39.4 t80 -66.05 -43.6 87.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.54 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 570' ' ' SER . . . . . 0.422 ' OG ' ' O ' ' A' ' 566' ' ' ILE . 26.7 m -59.61 -36.27 75.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.487 178.07 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -60.41 -39.48 87.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.461 177.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 15.5 tp -58.08 -44.7 87.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.516 178.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 573' ' ' ALA . . . . . 0.514 ' O ' ' SD ' ' A' ' 540' ' ' MET . . . -64.98 -45.13 86.95 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.489 179.691 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 574' ' ' SER . . . . . . . . . . . . . 23.0 t -57.94 -30.15 65.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.533 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 25.6 m -62.1 -44.81 95.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.611 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -49.33 -39.97 29.43 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 178.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 29.6 m -55.7 -40.24 72.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.763 0.316 . . . . 0.0 110.579 179.046 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 45.9 mt -55.22 -48.98 73.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.589 178.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 579' ' ' VAL . . . . . 0.417 ' O ' ' N ' ' A' ' 583' ' ' LEU . 88.3 t -72.96 -57.19 7.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.514 -178.733 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 580' ' ' LEU . . . . . 0.433 ' O ' ' CB ' ' A' ' 584' ' ' HIS . 9.8 mp -50.18 -47.81 54.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.565 -178.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -47.15 -70.46 0.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.651 -179.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 582' ' ' ARG . . . . . . . . . . . . . 80.0 mtp180 -66.23 -46.79 75.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.712 -179.176 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 583' ' ' LEU . . . . . 0.417 ' N ' ' O ' ' A' ' 579' ' ' VAL . 39.4 tp -55.39 -59.03 5.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.613 -179.228 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 584' ' ' HIS . . . . . 0.503 ' O ' ' NE2' ' A' ' 588' ' ' GLN . 83.1 t60 -49.29 -30.48 7.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.693 -179.343 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 585' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -76.49 -50.05 14.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.647 -179.195 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 89.5 mt -62.02 -42.04 98.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.613 -179.199 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 587' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -60.82 -48.99 79.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.593 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 588' ' ' GLN . . . . . 0.626 ' NE2' ' N ' ' A' ' 588' ' ' GLN . 0.2 OUTLIER -69.69 -45.97 67.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.679 -179.879 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 589' ' ' THR . . . . . . . . . . . . . 60.4 m -58.31 -34.44 70.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.585 -178.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 590' ' ' ILE . . . . . . . . . . . . . 11.4 mt . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.593 -179.202 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.804 0.335 . . . . 0.0 110.605 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 40.1 ttp180 -61.63 -33.01 73.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.585 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 2.3 mm100 -69.88 -33.39 72.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.633 -179.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -56.33 -55.69 30.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.626 -179.117 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 20.7 pt -58.71 -32.56 46.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.687 -178.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 444' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -78.73 -50.14 11.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.654 -179.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -55.93 -24.44 37.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.684 179.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 446' ' ' THR . . . . . 0.512 ' CG2' ' HZ1' ' A' ' 450' ' ' LYS . 98.9 m -71.41 -59.72 2.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.728 -179.591 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 447' ' ' LEU . . . . . 0.417 ' H ' ' HG ' ' A' ' 447' ' ' LEU . 15.5 mt -38.84 -58.06 1.14 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.62 -179.743 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 448' ' ' VAL . . . . . . . . . . . . . 7.0 p -57.68 -36.99 56.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.642 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 449' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' A' ' 446' ' ' THR . . . -56.04 -43.19 77.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.681 179.325 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 450' ' ' LYS . . . . . 0.512 ' HZ1' ' CG2' ' A' ' 446' ' ' THR . 25.1 mttp -73.9 -37.05 64.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.598 178.336 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . -51.97 -52.7 33.82 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.212 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 452' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -60.41 -40.2 90.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.791 0.329 . . . . 0.0 110.623 -179.021 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -74.06 -38.91 63.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.597 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 39.0 mt -68.51 -56.85 6.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.533 179.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 455' ' ' LEU . . . . . . . . . . . . . 95.1 mt -70.35 -25.39 63.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.564 179.386 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . 59.66 44.06 14.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.643 -176.273 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 457' ' ' CYS . . . . . 0.569 ' SG ' ' NH1' ' A' ' 559' ' ' ARG . 68.2 m -91.47 -159.15 0.61 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.515 -179.833 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 458' ' ' ASP . . . . . 0.471 ' N ' ' NE2' ' A' ' 554' ' ' GLN . 50.7 t0 -114.26 -27.11 7.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.668 -178.398 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 459' ' ' ARG . . . . . 0.444 HH21 ' CG1' ' A' ' 478' ' ' VAL . 74.2 mtp180 -151.44 147.41 26.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.77 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 460' ' ' VAL . . . . . . . . . . . . . 18.5 t -147.94 142.46 19.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.248 179.265 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 461' ' ' ILE . . . . . . . . . . . . . 9.1 tt -137.74 141.82 37.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.84 -179.319 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 462' ' ' VAL . . . . . . . . . . . . . 23.3 t -106.51 128.98 60.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.362 179.374 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 463' ' ' TYR . . . . . 0.449 ' CD1' ' C ' ' A' ' 463' ' ' TYR . 0.2 OUTLIER -145.92 146.68 31.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.71 -178.38 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 464' ' ' ALA . . . . . . . . . . . . . . . -137.77 167.27 22.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.354 178.348 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 465' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -96.01 100.6 12.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.565 -179.15 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 466' ' ' ASP . . . . . 0.595 ' CG ' ' H ' ' A' ' 467' ' ' ASP . 32.8 t0 -73.49 -159.45 0.07 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.602 178.346 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 467' ' ' ASP . . . . . 0.595 ' H ' ' CG ' ' A' ' 466' ' ' ASP . 94.5 m-20 -92.42 14.53 16.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.484 -179.528 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 468' ' ' ASN . . . . . 0.437 ' C ' ' N ' ' A' ' 470' ' ' VAL . 0.4 OUTLIER -126.57 28.24 5.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.596 -178.649 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 469' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 46.48 18.12 0.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.634 179.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 470' ' ' VAL . . . . . 0.437 ' N ' ' C ' ' A' ' 468' ' ' ASN . 9.9 p -108.87 141.52 23.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.55 179.512 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -71.88 86.46 0.46 Allowed Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 472' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -46.38 139.04 5.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.814 0.34 . . . . 0.0 110.56 179.639 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 473' ' ' VAL . . . . . . . . . . . . . 79.6 t -85.6 91.82 3.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.536 -179.048 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 2.4 t -75.55 -68.15 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.59 178.455 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -151.14 141.7 22.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.534 178.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 476' ' ' GLU . . . . . 0.533 ' OE2' ' N ' ' A' ' 485' ' ' ALA . 79.1 tt0 -129.0 135.91 49.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.639 179.386 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 60.0 p -133.84 115.56 14.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.597 179.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 478' ' ' VAL . . . . . 0.444 ' CG1' HH21 ' A' ' 459' ' ' ARG . 5.9 m -122.85 126.87 74.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.562 -179.703 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 479' ' ' ALA . . . . . . . . . . . . . . . -57.17 166.78 1.02 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.412 179.404 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 22.2 pt-20 -61.34 144.93 53.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.616 -179.308 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 100.33 -30.97 9.08 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.836 -0.906 . . . . 0.0 110.836 177.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 482' ' ' TRP . . . . . . . . . . . . . 28.5 m95 -97.3 141.4 22.97 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 120.928 0.394 . . . . 0.0 110.619 179.345 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 483' ' ' PRO . . . . . 0.419 ' CD ' ' HZ1' ' A' ' 531' ' ' LYS . 68.8 Cg_endo -74.68 167.56 26.83 Favored 'Trans proline' 0 C--N 1.304 -1.773 0 C-N-CA 122.824 2.349 . . . . 0.0 112.089 -179.347 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -84.22 123.99 30.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.63 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 485' ' ' ALA . . . . . 0.533 ' N ' ' OE2' ' A' ' 476' ' ' GLU . . . -75.64 -8.79 57.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.568 -179.494 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 486' ' ' ARG . . . . . 0.414 ' N ' ' OE1' ' A' ' 476' ' ' GLU . 26.6 ttm180 -49.95 -34.52 20.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.514 -179.523 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 487' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -65.45 -18.94 65.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.519 179.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -108.23 114.79 28.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.545 179.246 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 489' ' ' VAL . . . . . . . . . . . . . 83.9 t -92.42 113.5 27.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.56 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 44.1 mt -45.16 103.77 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.561 179.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -79.63 -31.43 41.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.587 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 492' ' ' ASP . . . . . . . . . . . . . 39.2 t0 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.581 -179.349 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.863 0.363 . . . . 0.0 110.594 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 57.1 ttp180 -54.44 -26.28 29.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.592 -179.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 505' ' ' GLN . . . . . 0.411 ' OE1' ' NE ' ' A' ' 507' ' ' ARG . 41.3 tt0 -83.69 -8.98 59.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.585 -179.277 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . 77.57 -7.82 37.95 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 179.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 507' ' ' ARG . . . . . 0.589 ' HG2' ' H ' ' A' ' 508' ' ' ILE . 15.0 ttm180 -50.39 -179.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.778 0.323 . . . . 0.0 110.552 -179.132 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 508' ' ' ILE . . . . . 0.589 ' H ' ' HG2' ' A' ' 507' ' ' ARG . 81.0 mt -120.99 147.63 24.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.561 179.769 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 509' ' ' GLN . . . . . . . . . . . . . 61.9 tp60 -122.28 122.92 40.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.545 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 510' ' ' ALA . . . . . . . . . . . . . . . -128.15 100.68 5.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.599 179.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 511' ' ' THR . . . . . . . . . . . . . 5.1 m -111.24 104.37 12.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.608 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 512' ' ' THR . . . . . . . . . . . . . 40.1 p -50.51 -20.38 1.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.474 179.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 513' ' ' ASP . . . . . 0.503 ' N ' ' OD1' ' A' ' 513' ' ' ASP . 9.0 p30 -168.48 118.15 0.74 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.57 -179.211 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 514' ' ' ILE . . . . . . . . . . . . . 69.7 mt -71.24 -0.61 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.429 178.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 515' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -73.4 -30.19 63.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.484 -178.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 16.1 pttp -99.24 29.54 3.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.542 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -129.01 142.5 50.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.605 -177.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . 42.3 46.4 5.44 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 177.211 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 519' ' ' LEU . . . . . 0.418 ' N ' HD23 ' A' ' 519' ' ' LEU . 3.8 mt -47.48 170.4 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.793 0.33 . . . . 0.0 110.635 178.101 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 520' ' ' THR . . . . . . . . . . . . . 7.4 p 47.1 35.18 3.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.522 178.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 49.0 tt0 -146.32 161.74 39.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.496 179.32 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 522' ' ' CYS . . . . . 0.671 ' O ' ' CG ' ' A' ' 523' ' ' HIS . 0.8 OUTLIER -62.19 125.27 23.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.533 178.655 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 523' ' ' HIS . . . . . 0.671 ' CG ' ' O ' ' A' ' 522' ' ' CYS . 15.7 m170 -170.96 -80.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.665 -178.668 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 524' ' ' LEU . . . . . 0.575 ' O ' ' HB2' ' A' ' 528' ' ' ARG . 0.6 OUTLIER -47.31 -32.9 5.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.568 177.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 525' ' ' ASN . . . . . . . . . . . . . 55.6 t-20 -55.68 -43.58 76.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.654 -178.074 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 526' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -102.07 -8.3 21.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.571 -179.463 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 14.2 mt -104.34 -29.88 10.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.602 -177.352 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 528' ' ' ARG . . . . . 0.691 ' N ' ' CD ' ' A' ' 529' ' ' PRO . 0.5 OUTLIER -66.84 -41.6 38.32 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.319 -177.474 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 529' ' ' PRO . . . . . 0.691 ' CD ' ' N ' ' A' ' 528' ' ' ARG . 31.2 Cg_exo -57.4 -45.03 37.27 Favored 'Trans proline' 0 C--N 1.304 -1.79 0 C-N-CA 122.905 2.404 . . . . 0.0 112.232 -178.61 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 61.2 mt -68.41 -6.84 26.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.635 -179.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 531' ' ' LYS . . . . . 0.419 ' HZ1' ' CD ' ' A' ' 483' ' ' PRO . 9.3 mtmt 62.96 27.17 15.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.529 178.065 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 532' ' ' VAL . . . . . 0.455 ' O ' ' CG2' ' A' ' 532' ' ' VAL . 23.7 m -75.71 106.79 5.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.605 178.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -93.73 -13.51 27.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.374 -179.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -134.31 141.05 46.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.116 -179.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -128.28 119.11 24.48 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.694 -0.402 . . . . 0.0 111.14 -179.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 536' ' ' LEU . . . . . . . . . . . . . 58.7 tp -131.58 128.02 38.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.948 177.442 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 53.2 t -129.17 148.22 33.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.99 0.424 . . . . 0.0 111.211 -177.341 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 538' ' ' VAL . . . . . . . . . . . . . 27.1 m -145.42 104.84 4.33 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.055 177.234 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 539' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -74.98 140.71 25.82 Favored 'Trans proline' 0 C--N 1.304 -1.804 0 C-N-CA 122.77 2.313 . . . . 0.0 112.462 -173.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 540' ' ' MET . . . . . . . . . . . . . 9.1 ptm -128.69 92.28 3.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.04 176.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 541' ' ' VAL . . . . . . . . . . . . . 26.3 m . . . . . 0 C--N 1.33 -0.276 0 CA-C-O 121.091 0.472 . . . . 0.0 111.1 -177.824 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 546' ' ' LEU . . . . . . . . . . . . . 12.8 mt . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.837 0.351 . . . . 0.0 110.573 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 547' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -98.65 -63.08 1.16 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.492 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -153.66 173.8 32.32 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 549' ' ' LEU . . . . . . . . . . . . . 5.0 mp -144.29 130.26 19.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.8 0.333 . . . . 0.0 110.524 -179.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 550' ' ' LEU . . . . . 0.549 ' CD1' ' N ' ' A' ' 550' ' ' LEU . 7.9 mp -93.62 117.14 29.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.303 179.293 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 551' ' ' ILE . . . . . 0.482 ' CG2' ' CE1' ' A' ' 553' ' ' HIS . 2.8 mm -113.78 137.63 46.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.851 -178.107 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -124.38 113.92 18.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.219 178.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 553' ' ' HIS . . . . . 0.482 ' CE1' ' CG2' ' A' ' 551' ' ' ILE . 61.9 m80 -109.19 128.63 55.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.965 0.412 . . . . 0.0 110.783 -179.505 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 554' ' ' GLN . . . . . 0.549 HE22 ' C ' ' A' ' 457' ' ' CYS . 23.5 tp60 -88.71 117.22 27.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.683 175.014 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -92.24 -7.11 49.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.397 -176.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 556' ' ' SER . . . . . . . . . . . . . 82.6 p -94.16 -31.93 13.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.467 -177.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 173.68 150.76 0.24 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.456 -178.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 558' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -70.65 124.07 10.38 Favored 'Trans proline' 0 C--N 1.304 -1.781 0 C-N-CA 122.823 2.349 . . . . 0.0 112.212 179.013 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 559' ' ' ARG . . . . . 0.569 ' NH1' ' SG ' ' A' ' 457' ' ' CYS . 14.3 ptm180 -116.61 139.92 49.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.356 -176.558 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 560' ' ' GLN . . . . . 0.521 ' NE2' ' N ' ' A' ' 561' ' ' TRP . 30.0 tp60 -77.72 116.43 18.25 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.684 176.263 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 561' ' ' TRP . . . . . 0.521 ' N ' ' NE2' ' A' ' 560' ' ' GLN . 1.1 m95 -59.05 145.38 42.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.344 -177.202 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -91.64 137.86 32.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.758 177.829 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 563' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -46.4 -42.89 15.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.463 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 564' ' ' ILE . . . . . . . . . . . . . 5.0 mm -74.59 -35.24 37.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.517 179.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -67.13 -36.67 82.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.542 -179.062 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 566' ' ' ILE . . . . . . . . . . . . . 98.7 mt -69.42 -47.71 71.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.636 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -61.19 -45.46 94.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.514 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 568' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -64.89 -42.74 94.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.545 -179.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 569' ' ' PHE . . . . . . . . . . . . . 45.9 t80 -64.02 -42.94 96.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.559 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 24.5 t -60.74 -40.12 91.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.568 177.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 88.3 mt-10 -57.1 -40.4 76.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.512 177.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 13.6 tp -59.37 -45.24 91.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.496 178.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . -65.3 -45.76 83.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.46 179.581 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 574' ' ' SER . . . . . . . . . . . . . 86.2 p -62.51 -31.76 72.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.63 179.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 35.2 m -53.37 -55.69 22.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.528 -178.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -58.32 -40.08 93.54 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 -179.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.87 -36.6 65.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.736 0.303 . . . . 0.0 110.471 -179.076 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 94.2 mt -58.83 -52.89 63.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.577 -178.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 97.7 t -72.53 -46.12 56.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.525 -179.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 580' ' ' LEU . . . . . . . . . . . . . 6.0 mp -53.67 -35.63 61.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.541 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -59.47 -54.42 46.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.658 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 582' ' ' ARG . . . . . . . . . . . . . 84.1 mtm-85 -72.07 -38.51 69.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.724 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 27.7 tp -67.09 -49.29 65.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.601 -179.284 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 584' ' ' HIS . . . . . . . . . . . . . 84.2 t60 -50.04 -43.84 51.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.676 -178.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 585' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -78.41 -48.76 14.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.601 -179.064 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 27.9 tp -49.54 -51.88 33.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.669 -179.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 587' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -60.34 -39.32 86.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.607 179.072 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 588' ' ' GLN . . . . . 0.412 HE21 ' CA ' ' A' ' 588' ' ' GLN . 0.2 OUTLIER -64.02 -53.19 53.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.694 -179.339 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 589' ' ' THR . . . . . . . . . . . . . 73.6 p -59.9 -28.88 67.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.633 -178.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 590' ' ' ILE . . . . . . . . . . . . . 26.9 mt . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.605 -179.341 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.756 0.312 . . . . 0.0 110.627 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -58.44 -32.0 68.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.596 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 3.3 mm100 -68.31 -32.34 72.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.657 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -61.18 -54.46 44.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.653 -179.493 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 21.3 pt -61.03 -35.13 63.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.728 -179.444 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 444' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -77.67 -50.99 11.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.73 -179.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -55.96 -23.01 29.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.735 179.178 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 446' ' ' THR . . . . . 0.407 ' O ' ' N ' ' A' ' 449' ' ' ALA . 51.5 m -72.2 -58.38 3.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.546 -179.635 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 447' ' ' LEU . . . . . 0.43 ' H ' ' HG ' ' A' ' 447' ' ' LEU . 16.5 mt -39.23 -57.62 1.32 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.609 -179.768 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 448' ' ' VAL . . . . . . . . . . . . . 6.3 p -58.01 -37.76 63.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.654 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 449' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' A' ' 446' ' ' THR . . . -56.54 -44.94 81.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.695 178.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 450' ' ' LYS . . . . . . . . . . . . . 56.0 mttm -71.09 -41.73 70.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.608 177.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . -49.25 -50.33 29.03 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.931 -0.867 . . . . 0.0 110.931 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 452' ' ' ARG . . . . . . . . . . . . . 68.5 ttp85 -56.85 -43.37 81.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.806 0.336 . . . . 0.0 110.627 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 14.6 tm-20 -75.87 -36.37 59.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.627 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 45.6 mt -68.6 -58.7 3.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.569 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 455' ' ' LEU . . . . . 0.509 ' O ' ' NH1' ' A' ' 559' ' ' ARG . 96.3 mt -70.84 -25.22 62.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.546 179.407 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . 60.43 43.46 13.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.661 -176.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 4.9 t -91.98 -159.33 0.64 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.428 -179.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 44.7 t0 -115.91 -27.95 6.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.625 -178.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 459' ' ' ARG . . . . . . . . . . . . . 6.8 ttp180 -148.9 144.43 26.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.671 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 460' ' ' VAL . . . . . . . . . . . . . 35.4 t -148.51 144.39 18.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.285 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 461' ' ' ILE . . . . . . . . . . . . . 8.3 tt -140.73 144.15 27.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.886 0.374 . . . . 0.0 110.85 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 462' ' ' VAL . . . . . . . . . . . . . 23.6 t -107.32 131.57 57.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.279 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 463' ' ' TYR . . . . . 0.535 ' CE1' ' CD1' ' A' ' 551' ' ' ILE . 1.2 p90 -146.42 144.95 30.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.772 -178.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 464' ' ' ALA . . . . . . . . . . . . . . . -135.4 164.08 28.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.411 179.22 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 465' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -99.27 101.73 13.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.524 -178.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 466' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -73.89 -158.22 0.06 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.517 178.022 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 467' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -88.85 16.86 6.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.506 -179.507 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 468' ' ' ASN . . . . . 0.419 ' C ' ' N ' ' A' ' 470' ' ' VAL . 1.2 m-20 -127.44 22.98 6.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.563 -179.067 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 469' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 48.31 18.5 0.16 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.54 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 470' ' ' VAL . . . . . 0.419 ' N ' ' C ' ' A' ' 468' ' ' ASN . 9.6 p -106.12 139.1 28.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.563 179.675 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -73.87 93.35 0.74 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 472' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -55.97 147.05 20.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.717 0.294 . . . . 0.0 110.647 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 473' ' ' VAL . . . . . . . . . . . . . 39.6 t -89.73 77.43 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.503 -179.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 2.3 t -60.15 -67.32 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.662 178.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -150.14 140.23 22.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.526 179.201 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 476' ' ' GLU . . . . . 0.573 ' OE2' ' N ' ' A' ' 485' ' ' ALA . 67.3 tt0 -128.64 136.13 50.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.598 179.715 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 11.6 t -135.44 116.76 14.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.492 179.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 478' ' ' VAL . . . . . . . . . . . . . 12.4 m -122.45 127.08 74.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.581 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 479' ' ' ALA . . . . . . . . . . . . . . . -58.3 166.79 1.54 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.534 179.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 480' ' ' GLU . . . . . 0.475 ' H ' ' CD ' ' A' ' 480' ' ' GLU . 46.8 mp0 -61.26 144.59 53.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.555 -179.238 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 100.42 -31.1 8.91 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 177.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 482' ' ' TRP . . . . . . . . . . . . . 16.3 m95 -98.78 138.99 20.77 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 120.902 0.382 . . . . 0.0 110.711 178.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 483' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -74.17 166.61 29.16 Favored 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.824 2.349 . . . . 0.0 112.04 -179.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -80.11 116.21 20.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.629 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 485' ' ' ALA . . . . . 0.573 ' N ' ' OE2' ' A' ' 476' ' ' GLU . . . -76.24 -9.96 59.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.565 -179.456 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 486' ' ' ARG . . . . . 0.554 ' N ' ' OE1' ' A' ' 476' ' ' GLU . 13.1 ptm180 -51.91 -25.16 7.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.606 -179.338 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 487' ' ' ASP . . . . . . . . . . . . . 51.1 t0 -70.63 -10.39 59.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.487 -179.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 96.2 mm-40 -106.4 113.88 27.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.604 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 489' ' ' VAL . . . . . . . . . . . . . 13.8 p -69.03 160.68 4.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.524 179.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 490' ' ' ILE . . . . . 0.418 HG23 HD12 ' A' ' 490' ' ' ILE . 25.2 mm -105.12 92.73 2.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.574 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -80.54 -31.47 37.01 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.589 -177.393 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 492' ' ' ASP . . . . . . . . . . . . . 30.5 t0 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.562 -179.222 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 503' ' ' TYR . . . . . 0.487 ' OH ' ' NE2' ' A' ' 509' ' ' GLN . 52.3 m-85 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.865 0.364 . . . . 0.0 110.596 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 10.5 tpp180 -61.03 -17.86 54.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.653 -179.219 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -104.24 -0.06 28.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.612 -179.254 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . 81.84 36.64 18.44 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.926 -0.869 . . . . 0.0 110.926 179.323 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 507' ' ' ARG . . . . . . . . . . . . . 24.3 ttm180 -75.84 147.82 38.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.806 0.336 . . . . 0.0 110.578 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 7.1 pt -106.5 124.76 62.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.521 179.409 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 509' ' ' GLN . . . . . 0.487 ' NE2' ' OH ' ' A' ' 503' ' ' TYR . 18.9 tt0 -113.6 117.8 32.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.521 -179.089 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 510' ' ' ALA . . . . . . . . . . . . . . . -128.35 102.63 6.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.606 178.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 511' ' ' THR . . . . . . . . . . . . . 4.7 m -112.49 105.21 13.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.588 -179.432 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 512' ' ' THR . . . . . . . . . . . . . 42.3 p -51.72 -19.94 1.86 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.507 179.136 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 513' ' ' ASP . . . . . 0.526 ' N ' ' OD1' ' A' ' 513' ' ' ASP . 17.9 p-10 -168.65 117.43 0.7 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.502 -179.005 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 514' ' ' ILE . . . . . 0.413 HD11 HG21 ' A' ' 514' ' ' ILE . 68.7 mt -69.45 0.64 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.506 179.02 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 515' ' ' PHE . . . . . 0.404 ' H ' ' C ' ' A' ' 513' ' ' ASP . 7.7 m-85 -75.79 -30.13 58.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.587 -178.335 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 17.9 pttp -97.34 28.18 3.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.576 178.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -131.72 139.33 48.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.519 -177.104 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . 46.33 48.83 15.68 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 176.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 519' ' ' LEU . . . . . 0.444 ' O ' ' OG1' ' A' ' 520' ' ' THR . 8.9 mt -58.6 159.81 6.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.785 0.326 . . . . 0.0 110.625 177.572 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 520' ' ' THR . . . . . 0.444 ' OG1' ' O ' ' A' ' 519' ' ' LEU . 5.1 p 60.89 26.99 16.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.602 179.232 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -144.84 165.6 27.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.534 179.203 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 522' ' ' CYS . . . . . 0.687 ' O ' ' CG ' ' A' ' 523' ' ' HIS . 1.6 p -58.77 122.07 12.64 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.451 178.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 523' ' ' HIS . . . . . 0.687 ' CG ' ' O ' ' A' ' 522' ' ' CYS . 11.6 m170 -173.44 -81.41 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.639 -178.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 524' ' ' LEU . . . . . 0.53 ' O ' ' N ' ' A' ' 528' ' ' ARG . 0.7 OUTLIER -50.29 -34.79 24.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.683 178.711 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 525' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -58.1 -42.97 86.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.702 -178.196 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 526' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -98.25 -8.25 27.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.59 -178.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 16.0 mt -106.01 -24.54 12.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.603 -178.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 528' ' ' ARG . . . . . 0.707 ' N ' ' CD ' ' A' ' 529' ' ' PRO . 14.4 tpt180 -66.2 -39.75 30.59 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.325 -177.745 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 529' ' ' PRO . . . . . 0.707 ' CD ' ' N ' ' A' ' 528' ' ' ARG . 34.9 Cg_exo -60.61 -45.45 21.4 Favored 'Trans proline' 0 C--N 1.305 -1.716 0 C-N-CA 122.875 2.383 . . . . 0.0 112.259 -178.22 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 53.2 mt -68.22 -7.01 26.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.638 -178.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 22.7 mtmt 60.6 26.76 16.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.523 178.519 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 532' ' ' VAL . . . . . 0.422 ' O ' ' CG2' ' A' ' 532' ' ' VAL . 31.1 m -75.53 109.27 8.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.602 179.203 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 533' ' ' ARG . . . . . 0.543 ' NH1' ' O ' ' A' ' 555' ' ' ALA . 70.6 mtt85 -96.04 -16.39 21.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.448 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 534' ' ' ALA . . . . . 0.408 ' O ' ' HA ' ' A' ' 553' ' ' HIS . . . -129.63 138.27 51.14 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.101 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 39.6 t30 -128.19 118.16 22.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.9 0.381 . . . . 0.0 111.247 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 536' ' ' LEU . . . . . . . . . . . . . 43.0 tp -130.86 128.08 39.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.932 177.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 59.1 t -130.5 148.21 33.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.973 0.416 . . . . 0.0 111.23 -177.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 538' ' ' VAL . . . . . . . . . . . . . 33.1 m -141.06 130.76 12.96 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.085 178.333 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 539' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -72.78 137.32 26.95 Favored 'Trans proline' 0 C--N 1.304 -1.768 0 C-N-CA 122.807 2.338 . . . . 0.0 112.483 -175.318 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 540' ' ' MET . . . . . 0.499 ' SD ' ' O ' ' A' ' 573' ' ' ALA . 4.6 ttp -126.8 118.92 25.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.103 176.729 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 541' ' ' VAL . . . . . . . . . . . . . 8.6 t . . . . . 0 C--N 1.329 -0.319 0 CA-C-O 121.023 0.44 . . . . 0.0 111.088 -176.024 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 546' ' ' LEU . . . . . . . . . . . . . 34.5 tp . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.758 0.313 . . . . 0.0 110.584 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 547' ' ' PHE . . . . . . . . . . . . . 73.9 t80 -112.68 -59.34 2.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.523 -179.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -172.61 -178.22 42.55 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 -179.233 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 549' ' ' LEU . . . . . . . . . . . . . 5.1 mp -142.17 141.27 32.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.762 0.315 . . . . 0.0 110.585 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 550' ' ' LEU . . . . . 0.535 ' CD1' ' N ' ' A' ' 550' ' ' LEU . 7.6 mp -95.05 125.96 40.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.331 179.245 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 551' ' ' ILE . . . . . 0.537 ' CG2' ' CE1' ' A' ' 553' ' ' HIS . 5.2 mt -117.53 139.81 43.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.926 0.393 . . . . 0.0 110.879 -179.256 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -124.39 114.25 19.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.192 178.386 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 553' ' ' HIS . . . . . 0.537 ' CE1' ' CG2' ' A' ' 551' ' ' ILE . 51.4 m80 -109.65 127.63 54.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.968 0.413 . . . . 0.0 110.791 179.699 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 554' ' ' GLN . . . . . 0.451 ' CD ' ' O ' ' A' ' 557' ' ' GLU . 30.2 tt0 -88.63 117.8 27.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.667 175.063 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 555' ' ' ALA . . . . . 0.543 ' O ' ' NH1' ' A' ' 533' ' ' ARG . . . -90.75 -6.32 54.56 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.514 -176.569 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 556' ' ' SER . . . . . . . . . . . . . 41.4 t -96.01 -32.59 12.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.508 -177.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 557' ' ' GLU . . . . . 0.451 ' O ' ' CD ' ' A' ' 554' ' ' GLN . 4.1 pt-20 174.62 149.71 0.25 Allowed Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.404 -178.507 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 558' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -71.49 125.7 11.48 Favored 'Trans proline' 0 C--N 1.305 -1.735 0 C-N-CA 122.748 2.299 . . . . 0.0 112.225 179.276 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 559' ' ' ARG . . . . . 0.509 ' NH1' ' O ' ' A' ' 455' ' ' LEU . 15.5 ptm180 -117.12 141.02 48.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.348 -177.008 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 560' ' ' GLN . . . . . 0.438 ' NE2' ' N ' ' A' ' 561' ' ' TRP . 35.2 tp60 -78.2 116.92 19.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.644 176.046 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 561' ' ' TRP . . . . . 0.438 ' N ' ' NE2' ' A' ' 560' ' ' GLN . 0.9 OUTLIER -59.49 144.62 46.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.367 -177.073 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.13 138.5 31.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.771 177.696 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 563' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -46.76 -41.79 15.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.516 -179.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 564' ' ' ILE . . . . . 0.43 HG23 HD11 ' A' ' 564' ' ' ILE . 6.6 mm -73.08 -34.87 46.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.5 179.819 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -66.42 -36.82 83.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.636 -179.271 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 566' ' ' ILE . . . . . 0.41 HG22 HD11 ' A' ' 566' ' ' ILE . 45.7 mm -66.54 -48.84 79.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.597 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -61.69 -46.86 87.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.543 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 568' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -63.68 -43.53 96.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.481 -179.386 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 569' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -65.87 -43.96 86.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.52 -179.628 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 34.7 m -59.54 -36.23 75.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.435 177.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 86.9 mt-10 -62.61 -39.74 94.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.481 177.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 14.3 tp -58.12 -44.95 88.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.507 178.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 573' ' ' ALA . . . . . 0.499 ' O ' ' SD ' ' A' ' 540' ' ' MET . . . -66.01 -44.24 85.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.39 179.496 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 574' ' ' SER . . . . . . . . . . . . . 23.2 t -61.87 -33.76 74.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.529 179.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 48.7 m -53.87 -54.58 36.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.544 -178.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -51.45 -36.78 39.01 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 179.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 2.5 m -58.85 -33.32 70.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.787 0.327 . . . . 0.0 110.547 179.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 31.9 mt -62.88 -54.93 31.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.623 -178.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 7.3 p -74.11 -41.08 51.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.521 -178.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 580' ' ' LEU . . . . . 0.45 ' O ' ' CB ' ' A' ' 584' ' ' HIS . 58.6 mt -57.74 -36.49 72.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.51 -179.635 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 581' ' ' GLU . . . . . 0.403 ' OE1' ' N ' ' A' ' 582' ' ' ARG . 14.3 tm-20 -59.93 -51.14 70.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.684 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 582' ' ' ARG . . . . . 0.403 ' N ' ' OE1' ' A' ' 581' ' ' GLU . 60.7 mtm180 -75.28 -36.59 61.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.644 -179.522 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 24.3 tp -72.34 -53.04 13.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.625 -179.151 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 584' ' ' HIS . . . . . 0.558 ' O ' ' NE2' ' A' ' 588' ' ' GLN . 83.4 t60 -49.59 -39.36 35.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.668 -179.268 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 585' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -79.6 -50.07 11.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.587 -179.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 35.1 tp -53.13 -49.38 66.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.653 -179.185 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 587' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -60.43 -43.22 96.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.678 179.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 588' ' ' GLN . . . . . 0.643 ' NE2' ' N ' ' A' ' 588' ' ' GLN . 0.0 OUTLIER -67.63 -50.16 59.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.647 -179.056 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 589' ' ' THR . . . . . . . . . . . . . 66.2 p -59.66 -30.16 68.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.652 -178.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 590' ' ' ILE . . . . . . . . . . . . . 15.0 mt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.586 -179.434 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 429' ' ' MET . . . . . . . . . . . . . 72.9 mtm . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 430' ' ' ALA . . . . . 0.435 ' O ' ' O ' ' A' ' 431' ' ' ALA . . . -167.08 22.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.564 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . 0.435 ' O ' ' O ' ' A' ' 430' ' ' ALA . . . 58.21 119.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.566 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 7.7 p -51.8 -37.14 20.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.53 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -55.46 -40.34 71.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.579 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 1.5 tt -63.2 -46.45 86.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.623 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 22.6 m -62.66 -38.59 90.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.525 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 436' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -79.94 8.27 7.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.525 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 437' ' ' LEU . . . . . . . . . . . . . 34.1 tp -67.97 107.44 2.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.623 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 74.6 mtt85 -148.83 14.92 0.94 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.51 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 59.3 t0 -74.75 130.23 39.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.558 -179.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 65.8 ttt180 -55.67 -30.71 61.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.561 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 2.5 mm100 -70.31 -31.99 69.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.694 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -56.63 -55.18 37.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.595 -179.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 20.7 pt -59.75 -32.32 49.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.663 -179.04 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 444' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -78.22 -50.34 12.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.658 -179.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -55.77 -23.2 28.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.64 179.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 446' ' ' THR . . . . . . . . . . . . . 74.2 m -73.17 -58.92 2.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.68 -179.47 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 447' ' ' LEU . . . . . 0.421 ' H ' ' HG ' ' A' ' 447' ' ' LEU . 16.9 mt -39.81 -57.61 1.53 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.694 -179.291 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 448' ' ' VAL . . . . . . . . . . . . . 7.5 p -57.68 -38.44 64.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.648 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -56.11 -44.69 79.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.687 178.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 450' ' ' LYS . . . . . . . . . . . . . 49.0 mttm -71.92 -40.9 68.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.603 178.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . -49.2 -50.29 28.85 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 452' ' ' ARG . . . . . . . . . . . . . 66.0 ttp85 -57.51 -42.97 83.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.784 0.326 . . . . 0.0 110.631 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 39.9 tp10 -75.74 -36.49 59.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.633 -179.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 44.2 mt -68.92 -58.97 3.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.65 -179.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 455' ' ' LEU . . . . . . . . . . . . . 96.4 mt -70.02 -25.43 63.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.54 179.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . 60.88 42.35 13.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.648 -176.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 457' ' ' CYS . . . . . 0.549 ' SG ' ' NH1' ' A' ' 559' ' ' ARG . 97.0 m -91.29 -159.16 0.61 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.542 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 458' ' ' ASP . . . . . 0.445 ' OD2' ' OG ' ' A' ' 556' ' ' SER . 64.3 m-20 -116.01 -27.47 6.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.638 -178.569 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 459' ' ' ARG . . . . . 0.42 ' O ' ' O ' ' A' ' 553' ' ' HIS . 6.8 ttp180 -148.54 142.4 25.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.771 179.776 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 460' ' ' VAL . . . . . . . . . . . . . 60.7 t -147.91 144.48 19.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.334 -179.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 461' ' ' ILE . . . . . . . . . . . . . 13.5 pt -142.39 150.27 18.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.867 0.365 . . . . 0.0 110.849 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 462' ' ' VAL . . . . . . . . . . . . . 47.8 t -110.5 133.11 57.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.35 179.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 463' ' ' TYR . . . . . 0.568 ' CE1' ' CD1' ' A' ' 551' ' ' ILE . 0.9 OUTLIER -146.23 143.52 29.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.753 -178.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 464' ' ' ALA . . . . . . . . . . . . . . . -135.73 164.81 27.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.388 178.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 465' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -104.3 103.69 13.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.611 -179.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 466' ' ' ASP . . . . . 0.596 ' CG ' ' H ' ' A' ' 467' ' ' ASP . 31.5 t0 -72.25 -156.96 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.598 178.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 467' ' ' ASP . . . . . 0.596 ' H ' ' CG ' ' A' ' 466' ' ' ASP . 84.4 m-20 -85.19 18.03 2.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.529 -179.756 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 468' ' ' ASN . . . . . . . . . . . . . 10.0 m-20 -127.25 7.67 6.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.605 -178.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 469' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 61.42 18.1 9.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.562 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 470' ' ' VAL . . . . . . . . . . . . . 89.7 t -103.4 137.96 29.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.613 179.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -62.23 97.72 0.17 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 472' ' ' THR . . . . . . . . . . . . . 50.8 m -56.62 132.43 51.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.791 0.329 . . . . 0.0 110.673 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 473' ' ' VAL . . . . . . . . . . . . . 5.1 m -79.54 70.7 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.565 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 2.4 t -59.53 -66.78 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.632 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -154.56 146.01 23.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.585 179.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 476' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -124.91 131.76 53.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.605 179.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 12.2 t -133.06 115.33 14.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.529 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 478' ' ' VAL . . . . . . . . . . . . . 8.9 m -125.07 128.94 73.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.638 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 479' ' ' ALA . . . . . . . . . . . . . . . -57.28 166.64 1.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.551 179.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -60.89 143.2 55.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.518 -179.249 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 100.85 -29.94 11.38 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.921 -0.871 . . . . 0.0 110.921 178.009 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 482' ' ' TRP . . . . . . . . . . . . . 10.4 m95 -100.88 142.33 24.41 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 120.877 0.37 . . . . 0.0 110.669 178.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 483' ' ' PRO . . . . . 0.447 ' CD ' ' HZ2' ' A' ' 531' ' ' LYS . 62.8 Cg_endo -74.06 166.0 30.67 Favored 'Trans proline' 0 C--N 1.304 -1.807 0 C-N-CA 122.856 2.371 . . . . 0.0 112.078 -179.478 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -78.86 118.64 21.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.627 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -76.56 -9.94 59.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.496 -179.056 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 486' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -53.36 -23.86 10.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.581 -179.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 487' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -71.36 -10.25 59.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.542 -179.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 488' ' ' GLN . . . . . 0.471 ' NE2' ' CD2' ' A' ' 530' ' ' LEU . 23.4 mt-30 -108.59 115.23 29.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.526 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 489' ' ' VAL . . . . . . . . . . . . . 61.9 t -92.32 112.82 26.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.529 179.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 490' ' ' ILE . . . . . 0.43 HG21 H911 ' A' ' 600' ' ' PVN . 65.0 mt -46.32 105.02 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.544 -179.432 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -79.42 -33.66 42.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.561 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 492' ' ' ASP . . . . . 0.45 ' OD2' H323 ' A' ' 600' ' ' PVN . 39.5 t0 -71.21 116.49 47.46 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.591 -179.65 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 493' ' ' PRO . . . . . 0.526 ' C ' ' H ' ' A' ' 495' ' ' PHE . 85.7 Cg_endo -82.29 -27.02 2.48 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.959 2.439 . . . . 0.0 112.167 179.34 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 494' ' ' CYS . . . . . 0.429 ' SG ' ' CD2' ' A' ' 499' ' ' TRP . 8.1 t 60.79 -0.83 0.27 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.547 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 495' ' ' PHE . . . . . 0.526 ' H ' ' C ' ' A' ' 493' ' ' PRO . 66.5 t80 -59.14 -36.83 75.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.611 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 74.5 mtt85 -51.11 151.17 2.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.673 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 497' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 55.69 -172.8 0.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.548 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 498' ' ' HIS . . . . . 0.434 ' CD2' ' H ' ' A' ' 498' ' ' HIS . 5.8 p80 -80.03 132.03 35.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.589 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 499' ' ' TRP . . . . . 0.515 ' CZ2' ' OH ' ' A' ' 503' ' ' TYR . 4.8 t90 -171.25 -52.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.578 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 500' ' ' VAL . . . . . . . . . . . . . 23.1 m -57.46 -36.86 54.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.578 179.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -63.92 -32.49 74.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.514 179.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 502' ' ' ALA . . . . . 0.428 ' O ' ' CG ' ' A' ' 505' ' ' GLN . . . -54.89 -46.97 74.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.564 -179.696 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 503' ' ' TYR . . . . . 0.515 ' OH ' ' CZ2' ' A' ' 499' ' ' TRP . 51.1 m-85 -76.99 -25.99 53.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.573 179.239 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 49.9 ttt85 -60.65 -17.8 49.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.544 -179.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 505' ' ' GLN . . . . . 0.428 ' CG ' ' O ' ' A' ' 502' ' ' ALA . 12.7 pt20 -107.24 -0.68 22.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.582 -178.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . 81.92 37.75 15.3 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.941 -0.863 . . . . 0.0 110.941 179.161 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 507' ' ' ARG . . . . . . . . . . . . . 24.2 ttm180 -72.17 146.03 47.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.815 0.341 . . . . 0.0 110.59 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 69.3 mt -108.1 124.83 64.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.497 179.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 509' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -114.39 119.8 38.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.561 -178.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 510' ' ' ALA . . . . . . . . . . . . . . . -128.93 101.45 6.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.664 178.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 511' ' ' THR . . . . . . . . . . . . . 4.4 m -111.18 105.12 13.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.581 -179.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 512' ' ' THR . . . . . . . . . . . . . 41.4 p -52.41 -20.28 2.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.508 179.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 513' ' ' ASP . . . . . 0.423 ' OD1' ' O ' ' A' ' 513' ' ' ASP . 12.1 p30 -169.0 116.86 0.65 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.48 -178.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 514' ' ' ILE . . . . . . . . . . . . . 84.6 mt -68.06 -0.38 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.552 179.045 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 515' ' ' PHE . . . . . 0.4 ' H ' ' C ' ' A' ' 513' ' ' ASP . 6.9 m-85 -74.8 -30.77 61.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.529 -179.151 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 85.0 mttt -95.2 28.42 2.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.562 179.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -133.85 139.63 46.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.479 -177.035 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . 46.53 48.86 16.6 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 176.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 519' ' ' LEU . . . . . 0.452 ' O ' ' OG1' ' A' ' 520' ' ' THR . 7.5 mt -59.96 159.83 8.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.814 0.34 . . . . 0.0 110.627 177.473 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 520' ' ' THR . . . . . 0.452 ' OG1' ' O ' ' A' ' 519' ' ' LEU . 5.6 p 60.58 26.66 16.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.562 179.197 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -144.91 165.9 26.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.468 179.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 522' ' ' CYS . . . . . 0.707 ' O ' ' CG ' ' A' ' 523' ' ' HIS . 0.8 OUTLIER -59.23 120.39 9.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.494 178.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 523' ' ' HIS . . . . . 0.707 ' CG ' ' O ' ' A' ' 522' ' ' CYS . 16.1 m170 -172.81 -81.22 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.665 -178.3 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 524' ' ' LEU . . . . . 0.588 ' O ' ' HB2' ' A' ' 528' ' ' ARG . 0.8 OUTLIER -50.51 -37.45 39.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.777 178.731 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 525' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 -57.15 -43.25 82.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.676 -177.004 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 526' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -96.46 -7.78 33.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.541 -178.149 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 14.3 mt -105.09 -19.22 13.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.58 -178.331 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 528' ' ' ARG . . . . . 0.619 ' N ' ' CD ' ' A' ' 529' ' ' PRO . 0.6 OUTLIER -66.75 -46.11 55.95 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.301 -178.583 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 529' ' ' PRO . . . . . 0.619 ' CD ' ' N ' ' A' ' 528' ' ' ARG . 45.7 Cg_exo -53.99 -47.08 29.04 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.821 2.348 . . . . 0.0 112.193 -176.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 530' ' ' LEU . . . . . 0.471 ' CD2' ' NE2' ' A' ' 488' ' ' GLN . 87.6 mt -67.47 -7.88 29.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.673 -178.067 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 531' ' ' LYS . . . . . 0.447 ' HZ2' ' CD ' ' A' ' 483' ' ' PRO . 28.7 mtmt 60.84 27.44 17.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.538 178.505 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 532' ' ' VAL . . . . . 0.447 ' O ' ' CG2' ' A' ' 532' ' ' VAL . 25.7 m -75.82 108.78 8.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.633 179.209 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -94.93 -16.45 22.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.371 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -130.93 139.18 50.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.106 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -128.13 119.55 25.53 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.675 -0.41 . . . . 0.0 111.17 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 536' ' ' LEU . . . . . . . . . . . . . 58.8 tp -133.11 128.31 35.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.89 177.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 58.6 t -130.05 147.67 33.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.059 0.457 . . . . 0.0 111.111 -177.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 538' ' ' VAL . . . . . . . . . . . . . 28.8 m -140.25 132.21 14.47 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.064 178.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 539' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -71.97 134.66 23.9 Favored 'Trans proline' 0 C--N 1.304 -1.801 0 C-N-CA 122.756 2.304 . . . . 0.0 112.5 -175.215 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 540' ' ' MET . . . . . 0.53 ' SD ' ' O ' ' A' ' 573' ' ' ALA . 7.8 ttt -130.15 117.08 19.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.105 176.664 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 541' ' ' VAL . . . . . . . . . . . . . 23.3 m -122.95 156.57 28.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.962 0.41 . . . . 0.0 111.142 -175.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 59.9 mt -127.36 129.46 70.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.158 178.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 543' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 43.37 49.48 6.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.26 -179.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 544' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 60.19 40.43 18.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.43 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 545' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -141.41 150.22 42.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.6 179.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 546' ' ' LEU . . . . . . . . . . . . . 25.3 tp -81.65 126.17 31.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.579 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 547' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -113.9 -53.49 2.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.56 -179.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -173.52 -178.03 43.18 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 549' ' ' LEU . . . . . . . . . . . . . 4.9 mp -142.69 142.57 32.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.892 0.377 . . . . 0.0 110.548 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 550' ' ' LEU . . . . . 0.53 ' CD1' ' N ' ' A' ' 550' ' ' LEU . 7.7 mp -95.33 126.35 40.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.283 179.542 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 551' ' ' ILE . . . . . 0.568 ' CD1' ' CE1' ' A' ' 463' ' ' TYR . 4.5 mt -118.66 140.89 40.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.869 -179.144 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -124.53 114.08 18.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.229 178.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 553' ' ' HIS . . . . . 0.535 ' CE1' ' CG2' ' A' ' 551' ' ' ILE . 54.5 m80 -109.71 129.18 55.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.804 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 554' ' ' GLN . . . . . 0.446 ' CD ' ' O ' ' A' ' 557' ' ' GLU . 39.3 tt0 -91.88 117.11 29.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.668 174.54 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -91.25 -3.78 56.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.483 -175.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 556' ' ' SER . . . . . 0.445 ' OG ' ' OD2' ' A' ' 458' ' ' ASP . 1.5 m -97.86 -30.96 12.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.568 -178.39 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 557' ' ' GLU . . . . . 0.446 ' O ' ' CD ' ' A' ' 554' ' ' GLN . 4.7 pt-20 174.63 150.25 0.26 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.366 -178.564 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 558' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -72.5 125.84 11.02 Favored 'Trans proline' 0 C--N 1.305 -1.749 0 C-N-CA 122.785 2.323 . . . . 0.0 112.278 178.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 559' ' ' ARG . . . . . 0.549 ' NH1' ' SG ' ' A' ' 457' ' ' CYS . 16.8 ptm180 -116.22 140.77 48.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.325 -177.159 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 560' ' ' GLN . . . . . . . . . . . . . 43.2 tp60 -78.57 117.08 19.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.605 176.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 561' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -59.74 147.75 36.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.341 -177.068 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -94.07 139.27 31.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.801 177.816 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 563' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -47.8 -42.89 27.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.536 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 564' ' ' ILE . . . . . . . . . . . . . 5.8 mm -74.55 -35.56 38.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.529 179.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 88.2 mt-10 -66.03 -35.87 81.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.579 -178.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 566' ' ' ILE . . . . . . . . . . . . . 96.6 mt -67.67 -48.31 76.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.597 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 58.2 t0 -61.16 -46.23 91.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.588 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 568' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -62.18 -44.12 97.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.526 -179.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 569' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -65.65 -42.32 91.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.502 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 91.3 p -60.45 -32.89 71.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.556 177.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 62.4 mm-40 -66.02 -40.25 90.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.498 177.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 14.7 tp -57.87 -43.77 86.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.485 178.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 573' ' ' ALA . . . . . 0.53 ' O ' ' SD ' ' A' ' 540' ' ' MET . . . -66.7 -45.21 79.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.446 179.481 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 574' ' ' SER . . . . . . . . . . . . . 28.5 m -58.54 -32.1 68.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.538 179.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 24.0 m -61.74 -46.19 90.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.591 -179.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -48.09 -38.13 17.66 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 179.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 19.4 m -58.51 -38.62 78.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.794 0.33 . . . . 0.0 110.516 178.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 57.5 mt -55.66 -50.64 69.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.594 178.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 86.4 t -68.89 -52.67 32.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.545 -178.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 580' ' ' LEU . . . . . 0.493 ' O ' ' N ' ' A' ' 584' ' ' HIS . 95.6 mt -54.13 -43.5 70.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.491 -179.169 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -55.52 -40.53 71.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.706 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 582' ' ' ARG . . . . . . . . . . . . . 68.4 mtm180 -74.3 -50.98 16.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.665 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 10.8 mp -68.37 -52.68 30.43 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.652 -179.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 584' ' ' HIS . . . . . 0.561 ' O ' ' NE2' ' A' ' 588' ' ' GLN . 83.4 t60 -46.87 -38.65 10.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.654 -179.08 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 585' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -81.96 -52.82 6.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.574 -179.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 39.7 mt -61.34 -44.71 96.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.712 -178.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 587' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -59.07 -46.86 87.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.618 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 588' ' ' GLN . . . . . 0.66 ' NE2' ' N ' ' A' ' 588' ' ' GLN . 0.3 OUTLIER -68.29 -46.9 69.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.733 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 589' ' ' THR . . . . . . . . . . . . . 53.1 m -58.44 -34.58 70.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.645 -178.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 590' ' ' ILE . . . . . . . . . . . . . 12.4 mt -57.1 -46.13 84.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.537 -179.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -61.3 -37.51 83.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.554 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 24.7 t -67.78 -16.1 63.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.532 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 30.8 tp . . . . . 0 C--O 1.219 -0.515 0 CA-C-O 118.028 -0.986 . . . . 0.0 110.651 -179.831 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 600' ' ' PVN . . . . . 0.657 H212 ' SG ' ' A' ' 522' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 429' ' ' MET . . . . . . . . . . . . . 85.6 mmm . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 430' ' ' ALA . . . . . . . . . . . . . . . -65.9 -18.75 65.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.516 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -50.23 171.77 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.575 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 12.7 p -94.82 -8.76 9.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.529 -179.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -50.38 -39.5 46.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.536 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 48.6 mt -60.57 -35.88 77.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.567 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 15.7 m -59.64 -33.2 71.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.584 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 436' ' ' GLU . . . . . . . . . . . . . 22.8 tp10 -73.23 0.71 11.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.594 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 437' ' ' LEU . . . . . . . . . . . . . 37.7 mt -101.63 110.87 22.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.573 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 50.1 ttt85 -174.48 70.94 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.541 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 439' ' ' ASP . . . . . 0.532 ' CG ' ' H ' ' A' ' 440' ' ' ARG . 42.3 t0 -163.47 -174.92 3.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.654 -179.729 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 440' ' ' ARG . . . . . 0.532 ' H ' ' CG ' ' A' ' 439' ' ' ASP . 46.3 ttp180 -54.86 -32.65 60.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.562 -179.823 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 2.2 mm100 -69.83 -34.5 73.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.692 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -56.77 -55.22 37.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.656 -179.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 23.7 pt -59.21 -30.73 44.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.628 -178.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 444' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -79.58 -50.4 10.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.698 -179.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -55.94 -24.23 36.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.683 179.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 446' ' ' THR . . . . . 0.441 ' O ' ' N ' ' A' ' 449' ' ' ALA . 91.1 m -72.86 -59.26 2.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.658 -179.224 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 447' ' ' LEU . . . . . 0.428 ' H ' ' HG ' ' A' ' 447' ' ' LEU . 16.4 mt -38.65 -56.59 1.3 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.568 -179.61 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 448' ' ' VAL . . . . . . . . . . . . . 4.4 p -58.09 -37.56 62.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.666 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 449' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 446' ' ' THR . . . -57.28 -46.18 83.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.608 179.357 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 450' ' ' LYS . . . . . . . . . . . . . 50.1 mttm -70.96 -42.62 69.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.644 179.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . -48.34 -48.61 27.01 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 452' ' ' ARG . . . . . . . . . . . . . 70.4 ttp85 -57.75 -43.71 85.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.79 0.329 . . . . 0.0 110.607 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -74.63 -38.05 62.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.63 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 37.8 mt -67.59 -58.04 5.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.643 -179.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 455' ' ' LEU . . . . . . . . . . . . . 94.5 mt -70.19 -25.44 63.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.555 179.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . 61.06 42.72 12.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.637 -177.092 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 457' ' ' CYS . . . . . 0.59 ' SG ' ' NH1' ' A' ' 559' ' ' ARG . 98.7 m -91.47 -158.91 0.6 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.463 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -118.04 -27.15 6.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.631 -178.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 459' ' ' ARG . . . . . 0.449 ' O ' ' O ' ' A' ' 553' ' ' HIS . 12.7 ttp85 -147.99 142.24 26.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.768 179.778 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 460' ' ' VAL . . . . . . . . . . . . . 86.6 t -149.0 145.54 17.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.335 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 461' ' ' ILE . . . . . . . . . . . . . 13.1 pt -143.31 150.87 17.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.919 0.39 . . . . 0.0 110.792 -179.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 462' ' ' VAL . . . . . . . . . . . . . 55.9 t -109.93 131.07 61.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.366 177.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 463' ' ' TYR . . . . . 0.577 ' O ' ' CD1' ' A' ' 463' ' ' TYR . 0.0 OUTLIER -144.5 144.61 31.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.638 -177.435 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 464' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 472' ' ' THR . . . -139.54 167.17 22.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.325 177.412 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 465' ' ' PHE . . . . . 0.524 ' O ' ' CD2' ' A' ' 465' ' ' PHE . 19.2 p90 -102.62 105.69 16.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.577 -179.292 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 466' ' ' ASP . . . . . 0.584 ' CG ' ' H ' ' A' ' 467' ' ' ASP . 31.3 t0 -71.58 -159.81 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.544 178.76 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 467' ' ' ASP . . . . . 0.584 ' H ' ' CG ' ' A' ' 466' ' ' ASP . 87.4 m-20 -89.19 15.33 9.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.579 -179.77 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 468' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -125.96 13.07 7.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.643 -179.178 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 469' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 59.6 17.31 6.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.546 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 470' ' ' VAL . . . . . . . . . . . . . 75.2 t -102.02 135.66 37.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.584 179.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -57.17 99.7 0.1 Allowed Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 472' ' ' THR . . . . . 0.443 ' N ' ' O ' ' A' ' 464' ' ' ALA . 20.3 m -55.4 132.18 47.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.827 0.346 . . . . 0.0 110.582 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 473' ' ' VAL . . . . . . . . . . . . . 42.5 t -86.8 77.93 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.544 -179.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 1.6 t -68.87 -68.33 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.671 179.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -153.33 144.55 23.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.536 179.12 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 476' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -125.08 131.68 53.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.595 179.186 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 10.0 t -132.73 115.51 15.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.512 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 478' ' ' VAL . . . . . 0.417 HG12 HH11 ' A' ' 459' ' ' ARG . 4.3 m -124.79 128.43 73.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.573 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 479' ' ' ALA . . . . . . . . . . . . . . . -57.07 166.98 0.92 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.513 179.364 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -60.73 142.89 55.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.573 -179.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 100.86 -29.7 11.9 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 177.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 482' ' ' TRP . . . . . . . . . . . . . 11.7 m95 -100.39 144.61 28.79 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 120.944 0.402 . . . . 0.0 110.664 178.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 483' ' ' PRO . . . . . 0.415 ' CD ' ' HZ3' ' A' ' 531' ' ' LYS . 63.9 Cg_endo -74.4 166.59 29.1 Favored 'Trans proline' 0 C--N 1.304 -1.767 0 C-N-CA 122.779 2.319 . . . . 0.0 112.039 -179.524 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -78.89 118.72 21.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.568 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -75.64 -10.77 59.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.533 -179.303 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 486' ' ' ARG . . . . . . . . . . . . . 57.4 ttt180 -53.02 -33.02 49.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.561 -179.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 487' ' ' ASP . . . . . . . . . . . . . 55.6 t0 -68.3 -14.16 62.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.507 -179.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -106.32 116.47 31.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.497 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 489' ' ' VAL . . . . . . . . . . . . . 91.1 t -99.54 117.58 44.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.443 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 11.3 mm -48.67 110.22 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.602 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -78.91 -27.91 43.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.554 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 492' ' ' ASP . . . . . 0.552 ' OD1' H322 ' A' ' 600' ' ' PVN . 17.7 t0 -60.09 112.89 6.1 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.523 -179.864 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 493' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -82.01 147.42 14.88 Favored 'Trans proline' 0 C--N 1.304 -1.774 0 C-N-CA 122.919 2.413 . . . . 0.0 112.23 -179.546 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 494' ' ' CYS . . . . . . . . . . . . . 56.7 m -87.47 115.03 24.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.554 179.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 495' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -84.44 136.36 33.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.661 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 71.1 mtp85 -81.54 16.98 1.51 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.665 -179.571 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 497' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -59.41 -40.45 86.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.572 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 498' ' ' HIS . . . . . . . . . . . . . 46.9 t-80 -177.55 -30.59 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.559 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 499' ' ' TRP . . . . . 0.636 ' NE1' H412 ' A' ' 600' ' ' PVN . 50.9 m95 -53.45 -49.13 68.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.545 -179.175 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 500' ' ' VAL . . . . . . . . . . . . . 98.6 t -59.66 -40.77 83.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.643 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.62 -31.13 72.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.584 179.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 502' ' ' ALA . . . . . 0.433 ' O ' ' CG ' ' A' ' 505' ' ' GLN . . . -54.63 -45.1 73.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.577 -179.828 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 503' ' ' TYR . . . . . 0.525 ' CD1' ' CD2' ' A' ' 549' ' ' LEU . 86.0 m-85 -78.37 -25.97 46.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.562 179.003 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 68.6 ttt180 -62.13 -15.91 48.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.639 -179.157 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 505' ' ' GLN . . . . . 0.433 ' CG ' ' O ' ' A' ' 502' ' ' ALA . 15.3 pt20 -107.14 -1.43 21.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.673 -178.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . 84.67 37.47 10.49 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.27 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 507' ' ' ARG . . . . . . . . . . . . . 72.4 ttt180 -73.95 145.47 44.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.809 0.338 . . . . 0.0 110.513 179.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 66.1 mt -106.84 123.65 62.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.575 179.399 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 509' ' ' GLN . . . . . . . . . . . . . 61.4 tp60 -113.28 118.5 34.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.546 -179.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 510' ' ' ALA . . . . . . . . . . . . . . . -128.17 101.11 6.12 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.62 178.288 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 511' ' ' THR . . . . . . . . . . . . . 4.7 m -110.46 103.2 11.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.542 -179.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 512' ' ' THR . . . . . . . . . . . . . 6.8 m -51.0 -19.64 1.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.533 179.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 513' ' ' ASP . . . . . 0.541 ' OD1' ' NZ ' ' A' ' 516' ' ' LYS . 8.3 p30 -169.29 118.2 0.66 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.51 -179.419 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 514' ' ' ILE . . . . . . . . . . . . . 79.7 mt -70.54 -0.11 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.566 178.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 515' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -74.98 -31.16 61.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.552 -178.395 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 516' ' ' LYS . . . . . 0.541 ' NZ ' ' OD1' ' A' ' 513' ' ' ASP . 10.8 pttm -97.23 29.08 3.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.559 179.326 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -131.67 142.36 49.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.532 -177.205 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . 43.41 47.46 6.99 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 176.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 519' ' ' LEU . . . . . . . . . . . . . 10.3 mt -54.76 167.12 0.4 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.722 0.296 . . . . 0.0 110.615 177.227 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 520' ' ' THR . . . . . . . . . . . . . 2.1 m 52.76 30.99 9.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.563 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 521' ' ' GLU . . . . . 0.401 ' HG2' ' N ' ' A' ' 522' ' ' CYS . 63.2 tt0 -146.2 163.0 36.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.489 179.459 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 522' ' ' CYS . . . . . 0.677 ' O ' ' CG ' ' A' ' 523' ' ' HIS . 0.9 OUTLIER -60.3 123.53 17.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.541 178.716 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 523' ' ' HIS . . . . . 0.677 ' CG ' ' O ' ' A' ' 522' ' ' CYS . 13.3 m170 -172.21 -80.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.68 -178.591 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 524' ' ' LEU . . . . . 0.619 ' O ' ' HB2' ' A' ' 528' ' ' ARG . 0.7 OUTLIER -48.9 -34.34 12.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.75 178.412 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 525' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -56.7 -40.99 76.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.702 -178.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 526' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -101.97 -7.94 21.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.539 -179.151 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 15.0 mt -106.62 -28.33 10.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.53 -177.32 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 528' ' ' ARG . . . . . 0.694 ' N ' ' CD ' ' A' ' 529' ' ' PRO . 0.0 OUTLIER -66.93 -41.12 34.43 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.316 -177.791 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 529' ' ' PRO . . . . . 0.694 ' CD ' ' N ' ' A' ' 528' ' ' ARG . 31.2 Cg_exo -58.0 -44.96 35.25 Favored 'Trans proline' 0 C--N 1.306 -1.71 0 C-N-CA 123.0 2.466 . . . . 0.0 112.161 -178.792 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 80.1 mt -68.18 -4.97 15.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.615 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 531' ' ' LYS . . . . . 0.415 ' HZ3' ' CD ' ' A' ' 483' ' ' PRO . 26.6 mtmt 60.83 26.84 16.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.508 178.397 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 532' ' ' VAL . . . . . 0.447 ' O ' ' CG2' ' A' ' 532' ' ' VAL . 27.0 m -75.53 107.74 6.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.615 178.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 80.9 mtp180 -94.12 -14.9 25.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.365 -179.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -133.81 141.51 47.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.152 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -128.95 120.32 25.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.922 0.391 . . . . 0.0 111.163 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 536' ' ' LEU . . . . . . . . . . . . . 63.2 tp -131.75 127.92 37.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.949 -0.568 . . . . 0.0 109.939 177.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 68.8 t -130.86 147.55 33.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.954 0.407 . . . . 0.0 111.213 -178.161 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 538' ' ' VAL . . . . . . . . . . . . . 31.0 m -140.07 133.71 15.35 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.069 178.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 539' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -72.34 135.38 24.49 Favored 'Trans proline' 0 C--N 1.304 -1.781 0 C-N-CA 122.752 2.301 . . . . 0.0 112.455 -175.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 540' ' ' MET . . . . . 0.516 ' SD ' ' O ' ' A' ' 573' ' ' ALA . 4.6 ttp -127.9 119.77 26.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.109 177.014 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 541' ' ' VAL . . . . . . . . . . . . . 18.6 m -123.06 149.25 26.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.029 0.442 . . . . 0.0 111.076 -176.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 542' ' ' ILE . . . . . 0.717 ' O ' ' OD1' ' A' ' 543' ' ' ASP . 63.2 mt -118.12 130.67 72.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.137 178.548 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 543' ' ' ASP . . . . . 0.717 ' OD1' ' O ' ' A' ' 542' ' ' ILE . 14.4 p30 39.6 39.56 0.53 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.896 0.379 . . . . 0.0 110.316 -179.556 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 544' ' ' ASP . . . . . 0.541 ' OD1' ' N ' ' A' ' 544' ' ' ASP . 0.4 OUTLIER 74.38 42.2 0.33 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.432 179.935 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 545' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' A' ' 542' ' ' ILE . 63.4 tt0 -149.01 123.51 9.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.575 179.702 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 546' ' ' LEU . . . . . . . . . . . . . 15.6 tp -62.95 126.46 27.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.574 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 547' ' ' PHE . . . . . . . . . . . . . 60.5 t80 -112.4 -45.83 3.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.504 -178.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -172.62 -179.65 43.54 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.838 -0.905 . . . . 0.0 110.838 -178.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 549' ' ' LEU . . . . . 0.525 ' CD2' ' CD1' ' A' ' 503' ' ' TYR . 2.6 mp -138.43 143.01 39.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.868 0.366 . . . . 0.0 110.543 -179.287 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -92.47 121.26 33.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.346 178.38 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 551' ' ' ILE . . . . . 0.575 ' CD1' H813 ' A' ' 600' ' ' PVN . 3.7 mt -112.72 135.15 53.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.911 -178.542 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -124.75 115.12 20.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.216 178.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 553' ' ' HIS . . . . . 0.539 ' CE1' ' CG2' ' A' ' 551' ' ' ILE . 42.3 m80 -110.52 129.21 55.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.791 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 554' ' ' GLN . . . . . 0.452 ' CD ' ' O ' ' A' ' 557' ' ' GLU . 43.5 tt0 -90.24 113.61 25.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.683 174.327 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -87.74 -5.2 58.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.44 -175.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 556' ' ' SER . . . . . . . . . . . . . 9.1 t -95.56 -31.61 13.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.522 -177.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 557' ' ' GLU . . . . . 0.452 ' O ' ' CD ' ' A' ' 554' ' ' GLN . 4.1 pt-20 174.3 151.17 0.26 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.33 -178.655 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 558' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -72.37 125.53 10.82 Favored 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 122.762 2.308 . . . . 0.0 112.212 178.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 559' ' ' ARG . . . . . 0.59 ' NH1' ' SG ' ' A' ' 457' ' ' CYS . 16.8 ptm180 -116.84 140.28 49.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.348 -177.287 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 560' ' ' GLN . . . . . . . . . . . . . 38.9 tp60 -77.51 116.45 18.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.626 176.066 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 561' ' ' TRP . . . . . . . . . . . . . 1.1 m95 -57.83 148.27 25.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.379 -176.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -95.61 139.06 32.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.843 178.119 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 563' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -46.94 -43.63 19.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.526 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 564' ' ' ILE . . . . . . . . . . . . . 1.1 mt -74.73 -35.04 35.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.56 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -66.45 -36.1 81.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.564 -179.079 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 566' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.14 -49.24 69.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.56 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -62.29 -47.43 84.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.635 -179.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 568' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -63.05 -44.32 96.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.541 -179.219 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 569' ' ' PHE . . . . . . . . . . . . . 54.4 t80 -63.13 -42.0 99.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.518 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 22.5 t -60.45 -39.37 87.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.44 178.236 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -58.1 -40.5 81.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.455 178.066 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 14.9 tp -58.16 -45.13 87.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.467 178.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 573' ' ' ALA . . . . . 0.516 ' O ' ' SD ' ' A' ' 540' ' ' MET . . . -65.07 -45.6 84.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.482 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 574' ' ' SER . . . . . 0.468 ' O ' ' OG ' ' A' ' 577' ' ' SER . 21.2 m -60.41 -32.21 71.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.548 179.791 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 30.1 m -57.47 -51.73 68.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.527 -178.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -51.34 -37.67 39.86 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.555 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 577' ' ' SER . . . . . 0.468 ' OG ' ' O ' ' A' ' 574' ' ' SER . 15.6 p -59.95 -33.87 72.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.79 0.328 . . . . 0.0 110.576 179.631 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 45.3 mt -59.12 -52.45 65.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.593 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 89.5 t -69.84 -45.39 77.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.525 -179.245 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 580' ' ' LEU . . . . . 0.49 ' O ' ' N ' ' A' ' 584' ' ' HIS . 34.7 mt -58.05 -38.0 75.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.503 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -53.44 -52.01 60.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.704 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 582' ' ' ARG . . . . . 0.417 ' O ' ' CB ' ' A' ' 586' ' ' LEU . 78.4 mtp180 -78.72 -40.69 32.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.705 -179.432 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 19.2 tp -67.72 -55.75 11.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.606 -179.173 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 584' ' ' HIS . . . . . 0.49 ' N ' ' O ' ' A' ' 580' ' ' LEU . 79.7 t60 -49.25 -43.71 43.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.581 -179.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 585' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -78.99 -49.68 12.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.648 -179.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 586' ' ' LEU . . . . . 0.417 ' CB ' ' O ' ' A' ' 582' ' ' ARG . 31.9 tp -51.54 -50.17 60.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.648 -179.667 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 587' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -59.2 -39.36 82.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.665 179.182 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 588' ' ' GLN . . . . . 0.512 HE21 ' CA ' ' A' ' 588' ' ' GLN . 0.0 OUTLIER -66.82 -50.57 62.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.65 -179.904 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 589' ' ' THR . . . . . . . . . . . . . 68.9 p -58.14 -30.98 66.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.609 -179.102 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 590' ' ' ILE . . . . . . . . . . . . . 3.1 mm -57.65 -45.32 86.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.609 -179.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -58.24 -46.69 85.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.522 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 20.0 m -67.13 -28.89 68.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.539 179.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 36.8 tp . . . . . 0 C--O 1.22 -0.497 0 CA-C-O 118.023 -0.989 . . . . 0.0 110.502 179.967 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 600' ' ' PVN . . . . . 0.709 H413 ' HN1' ' A' ' 600' ' ' PVN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 429' ' ' MET . . . . . . . . . . . . . 73.4 mtm . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 430' ' ' ALA . . . . . 0.437 ' O ' ' O ' ' A' ' 431' ' ' ALA . . . -63.96 145.54 55.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.556 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . 0.437 ' O ' ' O ' ' A' ' 430' ' ' ALA . . . 59.95 133.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.589 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . 0.414 ' C ' ' H ' ' A' ' 434' ' ' LEU . 46.0 t -112.4 161.32 11.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.601 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 71.97 -47.61 0.67 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.53 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 434' ' ' LEU . . . . . 0.414 ' H ' ' C ' ' A' ' 432' ' ' VAL . 43.8 tp -53.47 -47.98 69.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.546 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 40.5 m -73.98 -37.02 64.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.63 179.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 436' ' ' GLU . . . . . . . . . . . . . 51.4 mp0 -84.51 12.97 6.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.603 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 437' ' ' LEU . . . . . . . . . . . . . 13.4 tp -63.33 109.29 1.53 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.549 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 78.9 mtm180 -148.14 14.82 1.03 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.611 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -79.14 125.39 29.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.576 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 69.9 ttt180 -55.62 -30.57 61.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.569 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 2.2 mm100 -70.0 -35.23 74.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.66 -179.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -56.26 -55.68 30.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.606 -179.106 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 24.3 pt -57.69 -29.66 35.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.776 -179.027 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 444' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -80.57 -48.41 12.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.716 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -56.61 -25.57 53.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.767 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 446' ' ' THR . . . . . 0.422 ' O ' ' N ' ' A' ' 449' ' ' ALA . 58.0 m -71.61 -59.84 2.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.628 -179.242 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 447' ' ' LEU . . . . . 0.449 ' H ' ' HG ' ' A' ' 447' ' ' LEU . 16.0 mt -38.97 -56.78 1.35 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.626 -179.674 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 448' ' ' VAL . . . . . . . . . . . . . 5.8 p -59.12 -37.49 68.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.7 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 449' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 446' ' ' THR . . . -56.15 -45.43 79.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.669 179.399 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 450' ' ' LYS . . . . . . . . . . . . . 53.1 mttm -70.95 -41.42 71.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.582 178.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . -49.2 -49.47 30.81 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 452' ' ' ARG . . . . . . . . . . . . . 59.6 ttp180 -57.39 -43.24 83.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.734 0.302 . . . . 0.0 110.561 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -76.25 -37.26 57.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.64 -179.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 41.7 mt -68.02 -58.35 4.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.578 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 455' ' ' LEU . . . . . . . . . . . . . 88.7 mt -70.32 -25.39 63.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.495 179.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . 60.66 42.47 13.75 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.656 -176.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 457' ' ' CYS . . . . . 0.546 ' SG ' ' CG2' ' A' ' 460' ' ' VAL . 1.8 p -90.48 -160.45 0.7 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.461 -179.751 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 458' ' ' ASP . . . . . 0.598 ' CG ' HE21 ' A' ' 554' ' ' GLN . 73.6 m-20 -115.62 -28.32 6.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.545 -178.17 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 459' ' ' ARG . . . . . . . . . . . . . 7.5 ttp180 -148.14 142.91 26.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.777 179.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 460' ' ' VAL . . . . . 0.546 ' CG2' ' SG ' ' A' ' 457' ' ' CYS . 55.9 t -148.38 144.86 18.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.324 -179.759 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 461' ' ' ILE . . . . . . . . . . . . . 13.9 pt -142.8 151.66 17.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.891 0.377 . . . . 0.0 110.866 -179.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 462' ' ' VAL . . . . . . . . . . . . . 38.3 t -109.58 130.19 63.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.368 178.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 463' ' ' TYR . . . . . 0.518 ' OH ' ' CE2' ' A' ' 465' ' ' PHE . 0.1 OUTLIER -148.64 145.33 27.7 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.684 -178.865 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 464' ' ' ALA . . . . . . . . . . . . . . . -139.1 169.66 17.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.344 179.011 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 465' ' ' PHE . . . . . 0.548 ' CE1' ' SG ' ' A' ' 494' ' ' CYS . 62.6 m-85 -100.14 103.25 14.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.579 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 466' ' ' ASP . . . . . 0.585 ' CG ' ' H ' ' A' ' 467' ' ' ASP . 31.1 t0 -70.84 -160.51 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.551 178.629 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 467' ' ' ASP . . . . . 0.585 ' H ' ' CG ' ' A' ' 466' ' ' ASP . 89.9 m-20 -89.47 14.56 11.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.586 -179.733 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 468' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -125.79 12.95 7.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.608 -179.093 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 469' ' ' TYR . . . . . 0.488 ' CD1' ' O ' ' A' ' 494' ' ' CYS . 47.0 m-85 60.26 17.61 7.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.619 -179.654 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 470' ' ' VAL . . . . . . . . . . . . . 76.4 t -104.36 137.47 33.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.631 179.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -67.93 91.03 0.22 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.866 -0.894 . . . . 0.0 110.866 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 472' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -54.25 134.78 44.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.782 0.325 . . . . 0.0 110.628 179.758 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 473' ' ' VAL . . . . . . . . . . . . . 3.3 m -83.08 76.61 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.529 -178.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 2.8 t -59.7 -67.1 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.564 178.34 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -151.17 141.92 22.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.581 179.079 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 476' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -123.76 129.97 51.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.554 179.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 477' ' ' SER . . . . . 0.45 ' O ' ' O ' ' A' ' 460' ' ' VAL . 9.1 t -132.08 114.68 14.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.488 -179.793 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 478' ' ' VAL . . . . . . . . . . . . . 8.9 m -125.72 129.05 72.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.589 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 479' ' ' ALA . . . . . . . . . . . . . . . -56.41 166.41 0.88 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.57 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -60.67 143.32 54.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.598 -179.063 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 100.72 -29.86 11.52 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.809 -0.916 . . . . 0.0 110.809 177.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 482' ' ' TRP . . . . . . . . . . . . . 19.1 m95 -99.57 142.79 25.25 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 120.973 0.416 . . . . 0.0 110.613 179.225 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 483' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -72.54 166.67 29.17 Favored 'Trans proline' 0 C--N 1.304 -1.766 0 C-N-CA 122.884 2.389 . . . . 0.0 112.085 -179.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -80.12 120.46 24.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.558 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -76.21 -11.46 59.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.521 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 486' ' ' ARG . . . . . . . . . . . . . 49.5 ttt85 -54.94 -33.3 62.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.571 -179.37 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 487' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -67.98 -13.15 61.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.485 -179.333 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -106.01 116.0 31.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.554 179.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 489' ' ' VAL . . . . . . . . . . . . . 93.7 t -101.95 121.09 52.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.537 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 9.6 mm -47.54 108.75 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.606 -179.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -79.28 -23.49 43.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.587 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 492' ' ' ASP . . . . . 0.635 ' CG ' H321 ' A' ' 600' ' ' PVN . 15.5 t0 -59.79 113.39 7.09 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.57 -179.588 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 493' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -82.53 135.44 8.08 Favored 'Trans proline' 0 C--N 1.305 -1.724 0 C-N-CA 122.845 2.363 . . . . 0.0 112.198 179.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 494' ' ' CYS . . . . . 0.548 ' SG ' ' CE1' ' A' ' 465' ' ' PHE . 2.1 m -89.43 122.28 32.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.515 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 495' ' ' PHE . . . . . 0.527 ' O ' ' N ' ' A' ' 497' ' ' GLU . 97.8 m-85 -85.61 17.87 3.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.623 179.722 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 496' ' ' ARG . . . . . 0.541 ' O ' ' N ' ' A' ' 498' ' ' HIS . 58.0 ttt180 62.55 -70.42 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.557 -179.788 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 497' ' ' GLU . . . . . 0.527 ' N ' ' O ' ' A' ' 495' ' ' PHE . 79.5 mm-40 40.7 -91.45 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.499 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 498' ' ' HIS . . . . . 0.541 ' N ' ' O ' ' A' ' 496' ' ' ARG . 71.6 m80 -147.71 -12.46 0.39 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.554 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 499' ' ' TRP . . . . . 0.581 ' CD2' H512 ' A' ' 600' ' ' PVN . 58.8 t-105 -59.29 -47.47 85.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.578 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 500' ' ' VAL . . . . . . . . . . . . . 73.1 t -60.13 -45.06 96.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.523 179.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -70.12 -24.88 63.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.577 179.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 502' ' ' ALA . . . . . . . . . . . . . . . -53.59 -52.3 60.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.555 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 503' ' ' TYR . . . . . 0.425 ' CG ' ' CD2' ' A' ' 549' ' ' LEU . 56.1 m-85 -69.38 -34.74 74.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.485 179.449 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 54.2 ttp180 -62.55 -13.94 36.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.568 -179.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -99.16 1.41 44.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.667 -179.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . 83.21 35.18 18.62 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 507' ' ' ARG . . . . . . . . . . . . . 23.6 ttm180 -78.3 134.94 37.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.749 0.309 . . . . 0.0 110.598 179.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 7.4 pt -105.53 123.68 60.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.496 179.089 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 509' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -117.59 119.97 36.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.575 -178.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 510' ' ' ALA . . . . . . . . . . . . . . . -127.24 100.08 5.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.579 178.053 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 511' ' ' THR . . . . . . . . . . . . . 3.9 m -110.7 103.5 12.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.531 -179.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 512' ' ' THR . . . . . . . . . . . . . 6.2 m -51.31 -19.59 1.34 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.52 179.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 513' ' ' ASP . . . . . 0.525 ' OD1' ' NZ ' ' A' ' 516' ' ' LYS . 18.2 p30 -169.86 117.24 0.57 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.544 -179.114 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 514' ' ' ILE . . . . . 0.475 ' O ' ' CG2' ' A' ' 514' ' ' ILE . 96.6 mt -69.72 0.66 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.582 179.055 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 515' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -74.49 -31.7 62.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.516 -178.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 516' ' ' LYS . . . . . 0.525 ' NZ ' ' OD1' ' A' ' 513' ' ' ASP . 9.4 pttm -97.87 29.33 3.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.509 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -130.8 141.66 50.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.489 -177.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 518' ' ' GLY . . . . . 0.412 ' O ' ' O ' ' A' ' 519' ' ' LEU . . . 42.55 44.28 5.22 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.901 -0.879 . . . . 0.0 110.901 177.352 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 519' ' ' LEU . . . . . 0.446 HD23 ' N ' ' A' ' 519' ' ' LEU . 2.2 mt -44.47 171.4 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.7 0.286 . . . . 0.0 110.701 178.417 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 520' ' ' THR . . . . . . . . . . . . . 30.0 p 46.52 37.34 4.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.524 178.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 46.5 tt0 -146.5 162.29 38.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.428 179.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 522' ' ' CYS . . . . . 0.707 ' O ' ' CG ' ' A' ' 523' ' ' HIS . 0.8 OUTLIER -61.14 125.43 23.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.497 178.159 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 523' ' ' HIS . . . . . 0.707 ' CG ' ' O ' ' A' ' 522' ' ' CYS . 12.8 m170 -173.72 -80.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.623 -178.58 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 524' ' ' LEU . . . . . 0.568 ' O ' ' N ' ' A' ' 528' ' ' ARG . 0.5 OUTLIER -50.47 -35.89 31.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.721 178.526 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 525' ' ' ASN . . . . . . . . . . . . . 53.9 t-20 -57.78 -42.96 85.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.685 -177.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 526' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -98.85 -8.7 25.35 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.607 -178.19 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 75.6 mt -106.93 -21.85 12.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.601 -177.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 528' ' ' ARG . . . . . 0.702 ' N ' ' CD ' ' A' ' 529' ' ' PRO . 0.7 OUTLIER -70.31 -40.68 12.26 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.203 -178.166 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 529' ' ' PRO . . . . . 0.702 ' CD ' ' N ' ' A' ' 528' ' ' ARG . 33.3 Cg_exo -57.72 -45.82 30.79 Favored 'Trans proline' 0 C--N 1.305 -1.735 0 C-N-CA 122.961 2.44 . . . . 0.0 112.196 -178.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 85.7 mt -75.07 3.63 8.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.64 179.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 3.4 mtmm 59.8 26.05 15.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.584 179.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 532' ' ' VAL . . . . . . . . . . . . . 56.0 t -73.99 104.97 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.588 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -106.45 -15.87 14.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.377 179.035 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -124.63 135.22 52.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.095 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 29.7 t30 -127.21 117.4 22.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.903 0.382 . . . . 0.0 111.206 -179.317 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 536' ' ' LEU . . . . . . . . . . . . . 64.3 tp -130.17 126.54 37.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.966 176.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 537' ' ' VAL . . . . . 0.466 HG23 H712 ' A' ' 600' ' ' PVN . 52.8 t -129.2 146.21 34.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.053 0.454 . . . . 0.0 111.189 -177.165 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 538' ' ' VAL . . . . . . . . . . . . . 34.5 m -140.62 129.91 13.11 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.03 178.104 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 539' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -72.47 133.26 20.41 Favored 'Trans proline' 0 C--N 1.304 -1.787 0 C-N-CA 122.74 2.293 . . . . 0.0 112.524 -174.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 540' ' ' MET . . . . . 0.546 ' SD ' ' O ' ' A' ' 573' ' ' ALA . 6.4 ttt -127.62 118.15 23.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.061 176.286 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 541' ' ' VAL . . . . . . . . . . . . . 17.1 m -124.22 157.38 31.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.985 0.422 . . . . 0.0 111.143 -175.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 542' ' ' ILE . . . . . 0.418 ' N ' ' O ' ' A' ' 545' ' ' GLN . 76.7 mt -129.36 129.7 67.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.069 178.507 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 543' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 44.79 50.21 8.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.873 0.368 . . . . 0.0 110.264 -179.07 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 544' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 59.66 41.84 18.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.358 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 545' ' ' GLN . . . . . 0.418 ' O ' ' N ' ' A' ' 542' ' ' ILE . 63.2 tp60 -148.08 145.87 28.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.577 179.048 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 546' ' ' LEU . . . . . . . . . . . . . 27.4 tp -79.68 128.1 33.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.562 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 547' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -114.53 -47.48 2.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.507 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -167.0 179.82 40.51 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 549' ' ' LEU . . . . . 0.443 HD12 ' N ' ' A' ' 549' ' ' LEU . 4.2 mp -142.64 139.55 31.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.796 0.332 . . . . 0.0 110.569 -179.748 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 550' ' ' LEU . . . . . 0.51 ' CD1' ' N ' ' A' ' 550' ' ' LEU . 9.0 mp -95.25 118.38 31.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.332 179.43 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 551' ' ' ILE . . . . . 0.503 ' CG2' ' CE1' ' A' ' 553' ' ' HIS . 3.3 mm -115.4 138.54 45.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.004 -178.65 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -124.72 114.11 18.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.116 178.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 553' ' ' HIS . . . . . 0.503 ' CE1' ' CG2' ' A' ' 551' ' ' ILE . 55.5 m80 -110.01 130.88 55.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.87 -179.729 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 554' ' ' GLN . . . . . 0.598 HE21 ' CG ' ' A' ' 458' ' ' ASP . 13.9 tp60 -88.95 115.78 26.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.676 174.239 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -91.24 -7.4 51.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.456 -176.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 556' ' ' SER . . . . . 0.459 ' OG ' ' OD2' ' A' ' 458' ' ' ASP . 3.1 m -95.16 -30.03 14.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.54 -177.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 173.35 148.42 0.22 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.413 -178.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 558' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -68.37 126.27 14.02 Favored 'Trans proline' 0 C--N 1.305 -1.747 0 C-N-CA 122.834 2.356 . . . . 0.0 112.208 178.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -119.7 141.69 49.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.347 -176.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 560' ' ' GLN . . . . . 0.435 ' O ' ' OE1' ' A' ' 562' ' ' GLN . 56.2 tp60 -79.38 118.89 21.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.665 176.303 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 561' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -60.87 144.74 52.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.275 -177.034 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 562' ' ' GLN . . . . . 0.453 ' N ' ' OE1' ' A' ' 562' ' ' GLN . 0.2 OUTLIER -90.69 137.93 31.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.871 177.215 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 563' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -45.98 -42.73 13.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.584 -178.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 564' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -71.09 -35.21 57.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.524 -179.567 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 565' ' ' GLU . . . . . 0.6 ' OE1' ' N ' ' A' ' 565' ' ' GLU . 3.1 mp0 -65.96 -38.09 87.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.556 -179.009 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 566' ' ' ILE . . . . . . . . . . . . . 81.6 mt -64.93 -49.1 81.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.642 -179.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -64.98 -49.63 69.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.653 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 568' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -61.53 -46.29 90.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.524 -178.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 569' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -62.84 -41.56 99.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.505 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 23.1 t -60.41 -40.22 90.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.534 177.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -58.39 -40.51 82.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.538 177.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 15.0 tp -57.93 -42.58 85.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.443 178.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 573' ' ' ALA . . . . . 0.546 ' O ' ' SD ' ' A' ' 540' ' ' MET . . . -66.19 -44.8 82.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.473 179.518 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 574' ' ' SER . . . . . . . . . . . . . 19.6 m -58.46 -31.26 67.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.537 179.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 17.5 m -64.55 -43.6 93.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.514 -179.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -48.68 -38.58 22.39 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 178.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 34.5 m -58.53 -40.06 81.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.799 0.333 . . . . 0.0 110.536 178.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 59.9 mt -54.35 -45.0 72.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.645 178.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 93.1 t -74.93 -51.15 22.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.466 -178.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 580' ' ' LEU . . . . . 0.568 ' O ' ' N ' ' A' ' 584' ' ' HIS . 95.5 mt -61.61 -43.51 98.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.499 -178.801 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -51.87 -52.01 52.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.683 -179.298 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 582' ' ' ARG . . . . . . . . . . . . . 84.0 mtt-85 -76.98 -41.91 41.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.695 -179.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 29.3 tp -70.34 -60.7 2.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.681 -179.219 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 584' ' ' HIS . . . . . 0.568 ' N ' ' O ' ' A' ' 580' ' ' LEU . 63.9 t60 -47.13 -41.87 18.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.612 -178.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 585' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -77.15 -51.04 11.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.687 -179.262 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 586' ' ' LEU . . . . . 0.452 ' O ' ' OG1' ' A' ' 589' ' ' THR . 28.9 tp -51.77 -49.82 61.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.617 -179.258 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 587' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -55.89 -38.54 70.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.621 179.057 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 588' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -66.67 -43.94 83.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.683 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 589' ' ' THR . . . . . 0.452 ' OG1' ' O ' ' A' ' 586' ' ' LEU . 68.3 p -59.42 -33.29 71.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.598 -179.112 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 590' ' ' ILE . . . . . . . . . . . . . 75.7 mt -54.69 -49.86 64.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.585 -179.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -63.8 -36.9 85.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.55 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 83.6 p -69.47 -19.16 63.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.598 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 62.5 mt . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 118.064 -0.97 . . . . 0.0 110.538 179.985 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 600' ' ' PVN . . . . . 0.669 H413 ' HN1' ' A' ' 600' ' ' PVN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 429' ' ' MET . . . . . . . . . . . . . 50.5 ttp . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 430' ' ' ALA . . . . . . . . . . . . . . . 56.24 -96.88 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.523 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . 61.15 126.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.589 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 6.0 m -54.75 -22.18 9.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.579 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -53.16 -46.13 68.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.561 -179.589 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 37.6 mt -67.06 -37.21 83.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.598 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 20.9 m -61.33 -34.44 75.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.599 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 436' ' ' GLU . . . . . . . . . . . . . 76.7 tt0 -67.45 -10.35 50.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.571 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 437' ' ' LEU . . . . . . . . . . . . . 41.8 mt -90.43 72.28 6.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.535 -179.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -141.96 0.42 1.39 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.634 179.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 54.1 p30 -76.37 -171.81 1.91 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.543 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -57.12 -33.02 66.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.58 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 2.8 mm100 -68.15 -32.44 72.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.639 -179.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -61.11 -54.76 40.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.582 -179.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 22.3 pt -61.1 -34.53 60.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.699 -179.118 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 444' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -78.53 -51.59 9.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.669 -179.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -55.61 -22.86 24.45 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.723 179.116 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 446' ' ' THR . . . . . 0.409 ' O ' ' N ' ' A' ' 449' ' ' ALA . 51.5 m -71.98 -58.62 3.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.679 -179.705 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 447' ' ' LEU . . . . . 0.458 ' H ' ' HG ' ' A' ' 447' ' ' LEU . 14.8 mt -39.37 -56.65 1.53 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.602 -179.795 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 448' ' ' VAL . . . . . . . . . . . . . 5.3 p -58.57 -37.62 66.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.682 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 449' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 446' ' ' THR . . . -56.17 -44.54 79.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.583 179.039 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 450' ' ' LYS . . . . . . . . . . . . . 77.2 mttt -72.27 -41.42 66.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.603 178.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . -49.46 -50.91 28.79 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 -179.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 452' ' ' ARG . . . . . 0.524 ' NH2' ' OG ' ' A' ' 477' ' ' SER . 27.9 ttm180 -57.82 -44.92 86.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.821 0.343 . . . . 0.0 110.614 -179.74 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -71.72 -37.84 70.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.622 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 41.4 mt -67.73 -57.77 5.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.649 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 455' ' ' LEU . . . . . . . . . . . . . 97.2 mt -71.23 -25.55 62.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.52 179.215 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . 60.17 44.18 13.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.666 -176.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 457' ' ' CYS . . . . . 0.575 ' SG ' ' CG2' ' A' ' 460' ' ' VAL . 3.1 p -91.6 -159.52 0.65 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.422 -179.803 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 458' ' ' ASP . . . . . 0.498 ' N ' ' NE2' ' A' ' 554' ' ' GLN . 53.8 t0 -115.83 -27.98 6.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.67 -178.136 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 459' ' ' ARG . . . . . . . . . . . . . 28.5 ttp85 -147.73 141.83 26.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.676 -179.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 460' ' ' VAL . . . . . 0.575 ' CG2' ' SG ' ' A' ' 457' ' ' CYS . 39.6 t -148.58 144.96 18.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.314 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 461' ' ' ILE . . . . . . . . . . . . . 13.7 pt -142.89 151.86 17.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.894 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 462' ' ' VAL . . . . . . . . . . . . . 33.7 t -112.07 132.47 60.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.349 179.125 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 463' ' ' TYR . . . . . 0.57 ' CE1' ' CD1' ' A' ' 551' ' ' ILE . 1.1 p90 -146.87 146.5 30.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.726 -178.795 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 464' ' ' ALA . . . . . . . . . . . . . . . -136.32 164.25 28.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.387 178.417 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 465' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -96.19 100.67 12.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.555 -179.008 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 466' ' ' ASP . . . . . 0.575 ' CG ' ' H ' ' A' ' 467' ' ' ASP . 29.3 t0 -74.2 -158.54 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.53 178.839 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 467' ' ' ASP . . . . . 0.575 ' H ' ' CG ' ' A' ' 466' ' ' ASP . 85.9 m-20 -93.17 15.53 15.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.501 -179.579 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 468' ' ' ASN . . . . . 0.501 ' O ' ' N ' ' A' ' 470' ' ' VAL . 0.4 OUTLIER -126.47 31.55 5.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.617 -178.639 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 469' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 44.04 17.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.594 179.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 470' ' ' VAL . . . . . 0.501 ' N ' ' O ' ' A' ' 468' ' ' ASN . 8.6 p -109.33 142.94 20.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.544 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -75.2 82.33 0.89 Allowed Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.901 -0.879 . . . . 0.0 110.901 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 472' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -42.04 142.98 0.63 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.815 0.34 . . . . 0.0 110.619 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 473' ' ' VAL . . . . . . . . . . . . . 91.2 t -88.03 92.78 3.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.511 -178.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 2.4 t -75.74 -67.98 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.632 177.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -149.48 138.08 20.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.58 178.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 476' ' ' GLU . . . . . 0.549 ' OE2' ' N ' ' A' ' 485' ' ' ALA . 73.5 tt0 -125.16 132.59 53.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.592 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 477' ' ' SER . . . . . 0.524 ' OG ' ' NH2' ' A' ' 452' ' ' ARG . 7.4 t -134.02 115.5 14.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.505 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 478' ' ' VAL . . . . . . . . . . . . . 24.7 m -122.85 126.73 74.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.562 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 479' ' ' ALA . . . . . . . . . . . . . . . -57.8 167.72 1.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.504 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -61.76 144.58 54.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.563 -179.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 102.16 -30.61 10.04 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 178.13 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 482' ' ' TRP . . . . . . . . . . . . . 13.2 m95 -101.91 138.85 19.9 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 120.987 0.423 . . . . 0.0 110.665 178.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 483' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -74.09 171.7 17.44 Favored 'Trans proline' 0 C--N 1.306 -1.695 0 C-N-CA 122.852 2.368 . . . . 0.0 112.088 -179.181 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -84.04 120.98 26.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.657 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 485' ' ' ALA . . . . . 0.549 ' N ' ' OE2' ' A' ' 476' ' ' GLU . . . -75.44 -7.16 53.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.496 -179.71 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 486' ' ' ARG . . . . . 0.433 ' N ' ' OE1' ' A' ' 476' ' ' GLU . 57.9 ttt85 -49.63 -33.91 16.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.56 -179.471 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 487' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -67.05 -17.55 64.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.529 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -106.76 115.66 30.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.547 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 489' ' ' VAL . . . . . . . . . . . . . 48.3 t -98.91 117.93 44.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.571 179.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 490' ' ' ILE . . . . . 0.622 ' CD1' ' N ' ' A' ' 490' ' ' ILE . 0.1 OUTLIER -48.62 138.49 3.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.59 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -107.1 -32.86 7.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.536 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 492' ' ' ASP . . . . . 0.622 ' OD2' H5C1 ' A' ' 600' ' ' PVN . 45.9 t0 -66.59 114.91 19.56 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.608 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 493' ' ' PRO . . . . . 0.588 ' C ' ' H ' ' A' ' 495' ' ' PHE . 91.7 Cg_endo -82.72 -62.79 0.02 OUTLIER 'Trans proline' 0 C--N 1.307 -1.651 0 C-N-CA 122.903 2.402 . . . . 0.0 112.244 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 494' ' ' CYS . . . . . 0.468 ' H ' ' HG2' ' A' ' 493' ' ' PRO . 22.1 t 60.28 -2.81 0.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.56 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 495' ' ' PHE . . . . . 0.588 ' H ' ' C ' ' A' ' 493' ' ' PRO . 68.6 t80 -64.1 -41.85 97.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.593 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 75.9 ttt180 -54.66 -36.81 64.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.608 -179.64 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 497' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -61.3 156.69 18.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.57 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 498' ' ' HIS . . . . . . . . . . . . . 44.7 p-80 -66.19 -14.28 61.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.575 -179.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 499' ' ' TRP . . . . . 0.733 ' CD2' H522 ' A' ' 600' ' ' PVN . 61.0 m95 -45.45 -31.03 1.55 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.603 -179.816 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 500' ' ' VAL . . . . . . . . . . . . . 92.9 t -59.21 -45.17 93.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.534 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -63.49 -28.44 69.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.58 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 502' ' ' ALA . . . . . 0.429 ' O ' ' CG ' ' A' ' 505' ' ' GLN . . . -61.32 -42.35 98.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.56 -179.754 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 54.1 m-85 -66.73 -30.14 70.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.602 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 504' ' ' ARG . . . . . 0.564 ' C ' ' H ' ' A' ' 506' ' ' GLY . 57.7 ttt180 -60.43 -54.2 48.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.555 -179.736 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 505' ' ' GLN . . . . . 0.429 ' CG ' ' O ' ' A' ' 502' ' ' ALA . 13.5 pt20 -61.31 3.31 0.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.619 179.722 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 506' ' ' GLY . . . . . 0.564 ' H ' ' C ' ' A' ' 504' ' ' ARG . . . 79.39 38.66 20.87 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 177.7 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 507' ' ' ARG . . . . . . . . . . . . . 23.5 ttm180 -68.57 137.46 54.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.792 0.329 . . . . 0.0 110.581 178.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 69.3 mt -106.53 123.57 61.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.566 179.4 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 509' ' ' GLN . . . . . . . . . . . . . 61.2 tp60 -114.21 118.52 34.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.528 -178.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 510' ' ' ALA . . . . . . . . . . . . . . . -128.15 101.12 6.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.553 178.202 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 511' ' ' THR . . . . . . . . . . . . . 4.1 m -111.5 104.04 12.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.592 -179.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 512' ' ' THR . . . . . . . . . . . . . 8.0 m -50.66 -19.96 1.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.488 179.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 513' ' ' ASP . . . . . 0.521 ' N ' ' OD1' ' A' ' 513' ' ' ASP . 6.1 p30 -169.79 117.54 0.59 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.532 -179.01 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 514' ' ' ILE . . . . . 0.431 ' O ' ' CG2' ' A' ' 514' ' ' ILE . 93.6 mt -69.23 1.19 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.578 179.425 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 515' ' ' PHE . . . . . 0.42 ' H ' ' C ' ' A' ' 513' ' ' ASP . 7.5 m-85 -77.37 -32.9 55.26 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.53 -178.136 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 34.1 pttt -96.2 27.94 3.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.51 179.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -131.33 123.28 27.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.578 -177.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . 60.93 43.87 98.83 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 177.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 519' ' ' LEU . . . . . . . . . . . . . 60.4 mt -46.17 169.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.806 0.336 . . . . 0.0 110.61 177.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 520' ' ' THR . . . . . . . . . . . . . 13.9 p 50.07 35.21 9.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.587 179.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 52.3 tt0 -146.14 163.73 34.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.479 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 522' ' ' CYS . . . . . 0.655 ' O ' ' CG ' ' A' ' 523' ' ' HIS . 0.7 OUTLIER -59.98 125.6 24.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.46 178.489 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 523' ' ' HIS . . . . . 0.655 ' CG ' ' O ' ' A' ' 522' ' ' CYS . 13.3 m170 -170.61 -82.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.674 -178.809 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 524' ' ' LEU . . . . . 0.552 ' O ' ' CB ' ' A' ' 528' ' ' ARG . 10.1 mt -48.11 -33.7 8.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.674 178.323 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 525' ' ' ASN . . . . . . . . . . . . . 55.8 t-20 -57.27 -43.51 83.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.679 -177.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 526' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -103.54 -7.48 20.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.592 -178.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 95.9 mt -107.18 -25.77 11.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.599 -176.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 528' ' ' ARG . . . . . 0.715 ' N ' ' CD ' ' A' ' 529' ' ' PRO . 16.8 tpt180 -68.63 -38.54 12.44 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.379 -177.293 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 529' ' ' PRO . . . . . 0.715 ' CD ' ' N ' ' A' ' 528' ' ' ARG . 34.9 Cg_exo -59.49 -45.63 25.19 Favored 'Trans proline' 0 C--N 1.306 -1.708 0 C-N-CA 122.812 2.341 . . . . 0.0 112.179 -178.238 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 530' ' ' LEU . . . . . 0.547 ' C ' ' HZ1' ' A' ' 531' ' ' LYS . 67.8 mt -70.03 -6.97 37.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.698 -179.023 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 531' ' ' LYS . . . . . 0.547 ' HZ1' ' C ' ' A' ' 530' ' ' LEU . 4.9 mtmp? 64.31 25.41 13.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.544 178.664 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 532' ' ' VAL . . . . . 0.429 ' O ' ' CG2' ' A' ' 532' ' ' VAL . 26.3 m -76.02 109.42 9.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.702 179.689 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 533' ' ' ARG . . . . . 0.521 ' NH1' ' O ' ' A' ' 555' ' ' ALA . 74.8 mtt85 -100.07 -14.11 18.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.319 179.6 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -130.13 138.48 50.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.103 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 535' ' ' ASN . . . . . 0.438 ' ND2' H713 ' A' ' 600' ' ' PVN . 23.1 t30 -128.49 118.25 22.74 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.703 -0.399 . . . . 0.0 111.157 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 536' ' ' LEU . . . . . . . . . . . . . 69.4 tp -130.76 128.16 40.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.998 177.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 537' ' ' VAL . . . . . 0.437 HG21 H712 ' A' ' 600' ' ' PVN . 58.6 t -130.69 147.51 33.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.052 0.453 . . . . 0.0 111.133 -177.647 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 538' ' ' VAL . . . . . . . . . . . . . 30.9 m -140.0 129.74 13.75 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.007 178.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 539' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -72.39 136.13 25.78 Favored 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 122.719 2.279 . . . . 0.0 112.51 -174.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 540' ' ' MET . . . . . 0.442 ' HB3' ' O ' ' A' ' 548' ' ' GLY . 0.9 OUTLIER -127.96 118.07 22.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.049 176.125 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 541' ' ' VAL . . . . . . . . . . . . . 31.0 m -123.26 150.52 27.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.103 -175.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 542' ' ' ILE . . . . . 0.417 ' N ' ' O ' ' A' ' 545' ' ' GLN . 73.7 mt -129.91 129.81 66.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.061 178.566 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 543' ' ' ASP . . . . . 0.709 ' O ' ' OD1' ' A' ' 544' ' ' ASP . 59.4 t0 43.74 64.29 1.31 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.257 -179.253 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 544' ' ' ASP . . . . . 0.709 ' OD1' ' O ' ' A' ' 543' ' ' ASP . 10.6 p30 47.21 37.91 6.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.398 178.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 545' ' ' GLN . . . . . 0.417 ' O ' ' N ' ' A' ' 542' ' ' ILE . 49.3 tt0 -142.96 154.92 44.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.565 178.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 546' ' ' LEU . . . . . . . . . . . . . 29.1 tp -89.38 132.76 34.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.535 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 547' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -112.96 -54.93 2.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.582 -179.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 548' ' ' GLY . . . . . 0.442 ' O ' ' HB3' ' A' ' 540' ' ' MET . . . -170.58 -175.89 39.6 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 -178.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 549' ' ' LEU . . . . . . . . . . . . . 5.2 mp -144.93 141.1 28.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.764 0.316 . . . . 0.0 110.624 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 550' ' ' LEU . . . . . 0.528 ' CD1' ' N ' ' A' ' 550' ' ' LEU . 7.1 mp -94.66 124.46 38.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.305 179.442 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 551' ' ' ILE . . . . . 0.57 ' CD1' ' CE1' ' A' ' 463' ' ' TYR . 5.0 mt -117.24 140.64 39.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.871 -179.346 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -125.43 114.33 18.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.184 177.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 553' ' ' HIS . . . . . 0.527 ' CE1' ' CG2' ' A' ' 551' ' ' ILE . 52.7 m80 -108.8 127.86 54.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.879 0.371 . . . . 0.0 110.868 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 554' ' ' GLN . . . . . 0.559 HE22 ' C ' ' A' ' 457' ' ' CYS . 27.1 tp60 -86.59 115.28 23.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.728 175.194 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 555' ' ' ALA . . . . . 0.521 ' O ' ' NH1' ' A' ' 533' ' ' ARG . . . -90.26 -8.61 50.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.51 -176.614 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 556' ' ' SER . . . . . . . . . . . . . 91.6 p -93.49 -31.37 14.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.492 -177.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 173.97 150.18 0.24 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.398 -178.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 558' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -70.44 125.41 11.76 Favored 'Trans proline' 0 C--N 1.305 -1.761 0 C-N-CA 122.744 2.296 . . . . 0.0 112.279 179.191 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 11.9 ptm180 -117.93 140.29 49.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.306 -176.431 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 560' ' ' GLN . . . . . 0.474 ' NE2' ' N ' ' A' ' 561' ' ' TRP . 34.4 tp60 -77.93 118.26 20.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.624 176.065 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 561' ' ' TRP . . . . . 0.474 ' N ' ' NE2' ' A' ' 560' ' ' GLN . 1.1 m95 -57.72 146.83 29.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.353 -177.102 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -94.54 136.7 34.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.832 177.829 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 563' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -45.81 -43.09 12.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.544 -179.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 564' ' ' ILE . . . . . 0.58 ' O ' ' NE2' ' A' ' 568' ' ' GLN . 6.3 mm -72.69 -35.78 51.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.544 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 88.8 mt-10 -64.95 -35.15 80.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.595 -178.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 566' ' ' ILE . . . . . 0.418 ' O ' ' OG ' ' A' ' 570' ' ' SER . 46.2 mm -65.83 -49.26 78.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.628 -179.55 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 60.8 t0 -63.41 -49.04 75.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.543 -179.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 568' ' ' GLN . . . . . 0.58 ' NE2' ' O ' ' A' ' 564' ' ' ILE . 2.3 mp0 -61.9 -45.3 94.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.518 -178.716 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 569' ' ' PHE . . . . . . . . . . . . . 51.1 t80 -65.48 -43.25 90.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.521 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 570' ' ' SER . . . . . 0.418 ' OG ' ' O ' ' A' ' 566' ' ' ILE . 21.7 m -60.72 -37.75 82.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.498 177.543 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 82.9 mt-10 -59.85 -40.54 88.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.575 177.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 15.2 tp -57.39 -42.12 81.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.523 178.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . -68.31 -44.47 75.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.448 179.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 574' ' ' SER . . . . . 0.477 ' O ' ' OG ' ' A' ' 577' ' ' SER . 37.4 m -60.32 -32.89 71.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.557 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 43.7 m -58.48 -51.8 68.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.626 -178.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -51.91 -38.5 46.4 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 577' ' ' SER . . . . . 0.511 ' HG ' ' N ' ' A' ' 578' ' ' LEU . 24.0 p -59.62 -30.9 69.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.796 0.331 . . . . 0.0 110.558 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 578' ' ' LEU . . . . . 0.511 ' N ' ' HG ' ' A' ' 577' ' ' SER . 48.9 mt -63.13 -53.67 49.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.551 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 99.3 t -72.55 -45.97 56.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.492 -178.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 580' ' ' LEU . . . . . 0.429 ' O ' ' CB ' ' A' ' 584' ' ' HIS . 49.4 mt -53.55 -36.19 61.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.52 -179.23 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -60.14 -58.46 8.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.72 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 582' ' ' ARG . . . . . . . . . . . . . 57.3 mtm180 -69.86 -40.12 75.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.676 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 43.7 tp -65.14 -54.97 21.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.67 -179.251 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 584' ' ' HIS . . . . . 0.541 ' O ' ' NE2' ' A' ' 588' ' ' GLN . 83.5 t60 -49.94 -32.58 15.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.708 -179.392 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 585' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -77.12 -49.53 15.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.586 -179.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 38.0 mt -59.4 -45.61 91.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.647 -178.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 587' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -60.73 -47.35 86.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.598 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 588' ' ' GLN . . . . . 0.639 ' NE2' ' N ' ' A' ' 588' ' ' GLN . 0.1 OUTLIER -68.82 -49.39 58.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.645 -179.303 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 589' ' ' THR . . . . . 0.414 ' O ' ' OG ' ' A' ' 592' ' ' SER . 51.3 m -58.16 -32.28 68.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.632 -178.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 590' ' ' ILE . . . . . . . . . . . . . 11.3 mt -61.61 -38.45 80.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.559 -179.292 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -64.09 -31.46 72.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.531 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 592' ' ' SER . . . . . 0.414 ' OG ' ' O ' ' A' ' 589' ' ' THR . 60.0 p -72.22 -7.21 48.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.515 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 22.5 mt . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 117.943 -1.027 . . . . 0.0 110.591 -179.749 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 600' ' ' PVN . . . . . 0.733 H522 ' CD2' ' A' ' 499' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 429' ' ' MET . . . . . . . . . . . . . 64.3 mtt . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 430' ' ' ALA . . . . . . . . . . . . . . . -149.55 157.19 43.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.579 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -75.25 123.37 25.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.586 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 95.5 t -53.3 -39.04 33.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.583 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 55.3 mt-30 -56.41 -37.82 70.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.475 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 39.4 tp -61.45 -39.38 90.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.575 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 435' ' ' SER . . . . . 0.476 ' C ' ' H ' ' A' ' 437' ' ' LEU . 83.3 p -68.07 -25.83 65.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.53 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 436' ' ' GLU . . . . . . . . . . . . . 71.8 tt0 -57.67 -6.54 0.52 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.573 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 437' ' ' LEU . . . . . 0.476 ' H ' ' C ' ' A' ' 435' ' ' SER . 9.7 mp -94.93 115.85 27.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.584 -179.697 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 56.2 ttp180 -173.7 -18.12 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.577 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 439' ' ' ASP . . . . . 0.5 ' CG ' ' H ' ' A' ' 440' ' ' ARG . 43.2 t0 -64.73 -177.85 0.36 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.56 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 440' ' ' ARG . . . . . 0.5 ' H ' ' CG ' ' A' ' 439' ' ' ASP . 7.8 ptp85 -55.89 -30.11 61.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.613 -179.774 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 2.3 mm100 -67.4 -38.29 84.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.666 -179.037 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -57.87 -55.34 36.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.675 -179.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 22.7 pt -59.99 -33.05 51.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.72 -179.059 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 444' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -77.86 -48.57 16.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.661 -179.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -56.85 -22.95 40.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.639 179.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 446' ' ' THR . . . . . 0.403 ' O ' ' C ' ' A' ' 447' ' ' LEU . 82.5 m -74.37 -59.26 2.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.598 -179.258 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 447' ' ' LEU . . . . . 0.404 ' H ' ' HG ' ' A' ' 447' ' ' LEU . 18.2 mt -39.77 -58.86 1.27 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.656 -178.674 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 448' ' ' VAL . . . . . . . . . . . . . 12.4 p -56.96 -39.19 63.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.613 -179.094 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -54.71 -43.09 72.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.713 179.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 450' ' ' LYS . . . . . . . . . . . . . 50.6 mttm -74.57 -37.59 62.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.631 179.237 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . -50.13 -51.93 28.79 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -178.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 452' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -61.1 -40.91 95.55 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.822 0.344 . . . . 0.0 110.613 -178.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -73.16 -40.37 64.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.607 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 40.2 mt -68.03 -56.19 9.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.614 -179.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 455' ' ' LEU . . . . . 0.433 ' O ' ' NH1' ' A' ' 559' ' ' ARG . 87.1 mt -70.16 -24.14 63.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.522 -179.772 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . 59.67 41.58 18.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.635 -176.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 5.1 t -91.58 -159.53 0.65 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.502 -179.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 46.7 t0 -114.41 -29.88 6.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.632 -178.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 459' ' ' ARG . . . . . 0.428 ' O ' ' O ' ' A' ' 553' ' ' HIS . 6.4 ttp180 -147.38 141.5 26.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.756 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 460' ' ' VAL . . . . . . . . . . . . . 9.7 p -151.77 147.89 14.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.296 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 461' ' ' ILE . . . . . . . . . . . . . 13.5 pt -147.64 155.19 10.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.871 0.367 . . . . 0.0 110.875 -178.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 462' ' ' VAL . . . . . . . . . . . . . 91.3 t -111.58 131.96 61.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.331 177.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 463' ' ' TYR . . . . . 0.558 ' CE1' ' CD1' ' A' ' 551' ' ' ILE . 1.1 p90 -143.88 144.7 31.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.748 -178.1 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 464' ' ' ALA . . . . . 0.476 ' O ' ' N ' ' A' ' 472' ' ' THR . . . -138.29 166.79 23.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.377 178.155 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 465' ' ' PHE . . . . . 0.413 ' CZ ' ' CD2' ' A' ' 546' ' ' LEU . 0.0 OUTLIER -98.35 102.07 13.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.528 -179.444 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 466' ' ' ASP . . . . . 0.589 ' CG ' ' H ' ' A' ' 467' ' ' ASP . 31.1 t0 -72.64 -159.09 0.05 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.575 178.661 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 467' ' ' ASP . . . . . 0.589 ' H ' ' CG ' ' A' ' 466' ' ' ASP . 89.7 m-20 -85.35 15.98 4.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.533 -179.626 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 468' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -127.47 7.0 6.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.62 -179.204 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 469' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 64.0 19.47 11.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.551 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 470' ' ' VAL . . . . . . . . . . . . . 99.3 t -106.19 138.3 32.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.56 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -55.94 94.18 0.03 OUTLIER Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.921 -0.871 . . . . 0.0 110.921 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 472' ' ' THR . . . . . 0.476 ' N ' ' O ' ' A' ' 464' ' ' ALA . 18.3 m -46.35 127.61 9.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.813 0.339 . . . . 0.0 110.558 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 473' ' ' VAL . . . . . . . . . . . . . 7.0 t -78.6 67.05 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.543 -179.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 1.5 t -60.1 -67.0 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.587 179.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -153.35 144.41 22.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.548 179.088 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 476' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -125.4 133.39 52.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.575 179.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 1.3 p -137.01 118.46 14.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.562 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 478' ' ' VAL . . . . . . . . . . . . . 6.0 m -125.38 129.75 72.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.545 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 479' ' ' ALA . . . . . . . . . . . . . . . -57.43 166.65 1.18 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.563 179.468 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 480' ' ' GLU . . . . . 0.5 ' CD ' ' H ' ' A' ' 480' ' ' GLU . 47.6 mp0 -60.67 141.53 56.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.594 -179.303 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 102.34 -30.11 11.1 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.829 -0.909 . . . . 0.0 110.829 177.465 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 482' ' ' TRP . . . . . . . . . . . . . 11.9 m95 -101.08 143.64 26.99 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 120.927 0.394 . . . . 0.0 110.626 179.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 483' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -72.94 166.29 30.44 Favored 'Trans proline' 0 C--N 1.304 -1.797 0 C-N-CA 122.916 2.411 . . . . 0.0 112.086 -179.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -75.82 121.19 22.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.662 179.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -76.05 -11.36 59.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.516 -179.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 486' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -51.28 -35.4 37.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.568 -179.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 487' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -69.22 -19.78 63.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.457 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -105.75 117.56 34.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.519 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 489' ' ' VAL . . . . . . . . . . . . . 14.3 p -110.3 129.67 64.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.591 179.33 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 9.7 pt -55.03 126.13 11.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.539 -179.443 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 41.5 tp10 -83.95 -35.36 24.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.597 179.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 492' ' ' ASP . . . . . 0.556 ' OD2' H5C1 ' A' ' 600' ' ' PVN . 36.8 t0 -64.15 117.65 38.56 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.595 -179.753 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 493' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -79.64 115.43 3.37 Favored 'Trans proline' 0 C--N 1.305 -1.749 0 C-N-CA 122.938 2.426 . . . . 0.0 112.296 179.509 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 494' ' ' CYS . . . . . . . . . . . . . 17.0 t -68.29 -33.39 74.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.575 -179.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 495' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -54.53 -46.35 73.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.601 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 67.1 ttp85 -61.47 -37.92 85.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.644 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 497' ' ' GLU . . . . . 0.415 ' OE2' ' OD2' ' A' ' 492' ' ' ASP . 90.8 mt-10 -59.82 143.46 51.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.631 -179.709 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 498' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -74.11 -19.84 60.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.615 179.335 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 499' ' ' TRP . . . . . 0.583 ' NE1' H511 ' A' ' 600' ' ' PVN . 89.9 m95 -55.8 -17.76 6.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.59 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 500' ' ' VAL . . . . . . . . . . . . . 51.0 t -45.35 -43.76 3.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.596 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -65.83 -29.49 69.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.562 179.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 502' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 499' ' ' TRP . . . -54.48 -43.88 72.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.556 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 44.3 m-85 -78.34 -27.03 46.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.558 179.023 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 61.1 ttp180 -60.23 -18.88 51.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.57 -179.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 505' ' ' GLN . . . . . 0.676 ' NE2' HH21 ' A' ' 507' ' ' ARG . 15.4 pt20 -105.96 -3.17 22.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.603 -178.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . 83.81 37.32 11.84 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 179.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 507' ' ' ARG . . . . . 0.676 HH21 ' NE2' ' A' ' 505' ' ' GLN . 22.1 ttm180 -73.77 148.25 42.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.771 0.319 . . . . 0.0 110.578 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 72.1 mt -107.67 123.88 63.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.565 179.139 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 509' ' ' GLN . . . . . . . . . . . . . 61.5 tp60 -113.64 119.28 36.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.537 -179.285 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 510' ' ' ALA . . . . . . . . . . . . . . . -128.73 102.15 6.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.566 178.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 511' ' ' THR . . . . . . . . . . . . . 3.8 m -110.97 104.64 13.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.596 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 512' ' ' THR . . . . . . . . . . . . . 70.7 p -52.15 -20.28 2.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.503 179.196 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 513' ' ' ASP . . . . . 0.53 ' N ' ' OD1' ' A' ' 513' ' ' ASP . 5.2 p30 -169.42 117.63 0.63 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.548 -179.198 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 514' ' ' ILE . . . . . . . . . . . . . 68.1 mt -69.19 0.32 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.517 179.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 515' ' ' PHE . . . . . 0.402 ' H ' ' C ' ' A' ' 513' ' ' ASP . 8.5 m-85 -76.67 -32.24 57.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.485 -178.222 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 15.8 pttp -96.79 27.49 3.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.53 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -130.8 122.75 27.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.57 -177.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . 61.27 44.94 97.45 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 177.243 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 519' ' ' LEU . . . . . . . . . . . . . 63.6 mt -48.49 169.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.77 0.319 . . . . 0.0 110.651 178.017 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 520' ' ' THR . . . . . . . . . . . . . 2.3 m 50.85 33.83 9.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.586 179.314 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 57.0 tt0 -145.96 162.8 37.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.443 179.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 522' ' ' CYS . . . . . 0.666 ' O ' ' CG ' ' A' ' 523' ' ' HIS . 0.8 OUTLIER -60.12 126.04 25.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.562 178.566 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 523' ' ' HIS . . . . . 0.666 ' CG ' ' O ' ' A' ' 522' ' ' CYS . 15.2 m170 -170.24 -80.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.719 -179.116 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 524' ' ' LEU . . . . . 0.688 ' O ' ' HB2' ' A' ' 528' ' ' ARG . 14.2 mt -47.0 -32.1 3.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.694 177.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 525' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -56.61 -42.85 79.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.718 -177.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 526' ' ' GLN . . . . . 0.412 HE22 ' H ' ' A' ' 492' ' ' ASP . 22.2 mt-30 -104.76 -7.14 19.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.54 -179.245 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 527' ' ' LEU . . . . . 0.453 HD23 H911 ' A' ' 600' ' ' PVN . 17.4 mt -105.78 -28.97 10.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.559 -176.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 528' ' ' ARG . . . . . 0.688 ' HB2' ' O ' ' A' ' 524' ' ' LEU . 0.0 OUTLIER -68.18 -41.16 24.58 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.31 -177.225 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 529' ' ' PRO . . . . . 0.681 ' CD ' ' N ' ' A' ' 528' ' ' ARG . 32.5 Cg_exo -56.52 -47.2 25.04 Favored 'Trans proline' 0 C--N 1.305 -1.722 0 C-N-CA 122.911 2.407 . . . . 0.0 112.272 -179.08 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 530' ' ' LEU . . . . . 0.53 ' CD1' H921 ' A' ' 600' ' ' PVN . 87.4 mt -68.28 -6.8 25.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.664 -179.248 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 28.6 mtmt 61.08 26.65 16.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.533 178.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 532' ' ' VAL . . . . . 0.455 ' O ' ' CG2' ' A' ' 532' ' ' VAL . 22.0 m -75.73 108.93 8.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.606 179.346 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 87.8 mtt-85 -95.01 -16.43 22.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.384 -179.543 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -129.42 138.47 51.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.155 -179.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 535' ' ' ASN . . . . . 0.658 HD21 H621 ' A' ' 600' ' ' PVN . 30.4 t30 -127.71 117.31 21.7 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.641 -0.424 . . . . 0.0 111.144 179.525 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 536' ' ' LEU . . . . . . . . . . . . . 43.4 tp -130.69 129.13 42.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.919 178.166 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 64.7 t -130.41 146.62 33.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.068 0.461 . . . . 0.0 111.162 -178.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 538' ' ' VAL . . . . . . . . . . . . . 33.0 m -138.8 131.52 15.84 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.093 178.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 539' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -73.01 132.85 18.84 Favored 'Trans proline' 0 C--N 1.304 -1.788 0 C-N-CA 122.761 2.307 . . . . 0.0 112.438 -175.172 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 540' ' ' MET . . . . . 0.531 ' SD ' ' O ' ' A' ' 573' ' ' ALA . 5.5 ttt -125.45 119.36 28.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.087 176.575 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 541' ' ' VAL . . . . . . . . . . . . . 26.2 m -124.97 157.37 33.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.94 0.4 . . . . 0.0 111.103 -176.055 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 61.7 mt -131.69 130.54 62.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.119 178.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 543' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 43.68 50.83 6.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.821 0.343 . . . . 0.0 110.209 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 544' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 58.87 40.39 22.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.465 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 545' ' ' GLN . . . . . . . . . . . . . 41.5 tt0 -142.78 148.49 37.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.641 179.284 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 546' ' ' LEU . . . . . 0.413 ' CD2' ' CZ ' ' A' ' 465' ' ' PHE . 12.5 tp -84.57 129.89 34.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.607 -179.746 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 547' ' ' PHE . . . . . 0.414 ' CE2' ' CD2' ' A' ' 580' ' ' LEU . 60.4 t80 -115.0 -53.4 2.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.505 -179.08 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -171.17 -177.94 41.33 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -178.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 549' ' ' LEU . . . . . . . . . . . . . 4.0 mp -141.13 144.15 34.69 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.807 0.337 . . . . 0.0 110.602 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -96.95 125.98 41.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.283 178.13 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 551' ' ' ILE . . . . . 0.558 ' CD1' ' CE1' ' A' ' 463' ' ' TYR . 5.6 mt -117.45 139.52 44.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.965 0.412 . . . . 0.0 110.882 -178.582 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -124.26 114.51 19.69 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.156 178.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 553' ' ' HIS . . . . . 0.532 ' CE1' ' CG2' ' A' ' 551' ' ' ILE . 51.9 m80 -109.93 127.92 55.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.872 179.655 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 554' ' ' GLN . . . . . 0.453 ' OE1' ' O ' ' A' ' 557' ' ' GLU . 34.5 tt0 -89.17 117.98 28.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.591 175.151 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -90.91 -6.23 54.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.508 -176.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 556' ' ' SER . . . . . . . . . . . . . 89.3 p -95.46 -32.35 12.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.489 -178.073 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 557' ' ' GLU . . . . . 0.453 ' O ' ' OE1' ' A' ' 554' ' ' GLN . 2.6 pt-20 174.15 151.07 0.25 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.369 -178.423 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 558' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -72.05 125.34 10.83 Favored 'Trans proline' 0 C--N 1.304 -1.78 0 C-N-CA 122.803 2.336 . . . . 0.0 112.184 178.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 559' ' ' ARG . . . . . 0.433 ' NH1' ' O ' ' A' ' 455' ' ' LEU . 10.8 ptm180 -117.86 141.02 48.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.314 -177.232 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 560' ' ' GLN . . . . . . . . . . . . . 44.9 tp60 -78.52 117.12 19.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.679 176.3 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 561' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -58.96 145.56 41.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.355 -176.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.11 139.0 31.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.821 177.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 563' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -46.65 -42.63 16.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.478 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 564' ' ' ILE . . . . . . . . . . . . . 1.2 mt -74.13 -34.67 38.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.553 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 -65.94 -36.73 84.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.552 -179.126 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 566' ' ' ILE . . . . . 0.412 HG23 HD12 ' A' ' 566' ' ' ILE . 44.5 mm -66.03 -48.48 81.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.659 179.706 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -62.41 -47.93 81.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.624 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 568' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -61.92 -44.53 96.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.574 -179.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 569' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -66.81 -44.44 81.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.516 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 20.3 m -58.97 -36.67 75.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.474 177.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 82.8 mt-10 -61.35 -39.1 89.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.525 177.51 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 13.7 tp -57.99 -44.13 86.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.456 178.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 573' ' ' ALA . . . . . 0.531 ' O ' ' SD ' ' A' ' 540' ' ' MET . . . -65.98 -44.67 84.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.454 179.385 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 574' ' ' SER . . . . . . . . . . . . . 21.5 t -58.61 -31.77 68.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.495 179.285 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 20.7 m -61.96 -44.83 95.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.583 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -47.15 -38.32 11.44 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 178.464 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 18.7 m -56.43 -39.24 72.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.748 0.309 . . . . 0.0 110.541 178.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 57.6 mt -56.55 -49.56 74.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.601 178.08 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 94.1 t -73.77 -52.0 22.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.541 -179.416 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 580' ' ' LEU . . . . . 0.532 ' O ' ' N ' ' A' ' 584' ' ' HIS . 8.5 mp -52.61 -49.6 64.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.507 -179.573 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -56.01 -36.28 67.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.707 -179.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 582' ' ' ARG . . . . . . . . . . . . . 59.5 ttm-85 -73.7 -49.22 26.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.715 -179.35 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 62.4 mt -77.29 -49.84 14.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.67 -178.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 584' ' ' HIS . . . . . 0.567 ' O ' ' NE2' ' A' ' 588' ' ' GLN . 81.8 t60 -47.47 -43.78 24.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.659 -178.651 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 585' ' ' PHE . . . . . . . . . . . . . 31.4 m-85 -82.1 -52.62 6.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.63 -179.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 49.5 tp -56.99 -47.43 80.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.72 -178.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 587' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -59.9 -43.71 94.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.669 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 588' ' ' GLN . . . . . 0.691 ' NE2' ' N ' ' A' ' 588' ' ' GLN . 0.0 OUTLIER -67.32 -50.52 59.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.712 179.896 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 589' ' ' THR . . . . . . . . . . . . . 47.4 p -57.57 -32.74 67.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.636 -179.353 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 590' ' ' ILE . . . . . . . . . . . . . 2.2 mm -57.63 -44.7 85.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.537 -179.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -59.82 -50.0 75.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.576 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 25.5 m -65.04 -32.1 73.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.561 179.372 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 27.5 tp . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 118.02 -0.99 . . . . 0.0 110.55 179.906 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 600' ' ' PVN . . . . . 0.78 H811 H712 ' A' ' 600' ' ' PVN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 429' ' ' MET . . . . . . . . . . . . . 24.0 ttt . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 430' ' ' ALA . . . . . . . . . . . . . . . -158.5 -34.29 0.07 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.613 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -65.98 -27.76 68.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.614 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 9.9 p -72.67 -27.61 25.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.538 -179.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -56.01 -37.35 69.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.575 -179.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 28.2 tp -58.29 -39.34 79.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.638 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 45.8 m -69.66 -26.19 64.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.568 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 436' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -61.15 -27.82 68.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.638 -179.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 437' ' ' LEU . . . . . 0.456 ' CD1' ' N ' ' A' ' 437' ' ' LEU . 9.0 mp -67.76 135.97 53.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.535 -179.763 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 80.0 mtm180 -103.93 9.45 36.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.564 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 439' ' ' ASP . . . . . 0.444 ' OD1' ' N ' ' A' ' 440' ' ' ARG . 56.0 t0 -54.81 148.61 12.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.624 -179.713 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 440' ' ' ARG . . . . . 0.444 ' N ' ' OD1' ' A' ' 439' ' ' ASP . 74.2 ttt180 -55.64 -37.32 68.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.561 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 2.1 mm100 -69.79 -35.89 75.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.694 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -55.86 -54.73 41.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.573 -179.196 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 24.9 pt -59.37 -30.76 44.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.76 -178.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 444' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -78.48 -49.33 13.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.678 -179.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -56.28 -24.82 45.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.714 179.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 446' ' ' THR . . . . . 0.411 ' O ' ' N ' ' A' ' 449' ' ' ALA . 72.1 m -71.34 -59.59 2.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.56 -179.415 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 447' ' ' LEU . . . . . 0.445 ' H ' ' HG ' ' A' ' 447' ' ' LEU . 16.0 mt -39.27 -57.42 1.36 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.577 -179.264 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 448' ' ' VAL . . . . . . . . . . . . . 6.0 p -58.35 -37.57 64.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.619 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 449' ' ' ALA . . . . . 0.411 ' N ' ' O ' ' A' ' 446' ' ' THR . . . -55.94 -43.67 77.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.666 179.161 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 450' ' ' LYS . . . . . . . . . . . . . 80.2 mttt -74.27 -37.86 63.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.639 178.304 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . -50.73 -52.66 28.86 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.114 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 452' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -61.74 -38.78 89.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.729 0.299 . . . . 0.0 110.528 -178.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -74.13 -40.7 62.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.629 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 33.1 mt -67.55 -55.77 12.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.613 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 455' ' ' LEU . . . . . . . . . . . . . 93.5 mt -71.05 -25.14 62.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.584 179.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . 59.59 44.48 14.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.694 -176.443 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 457' ' ' CYS . . . . . 0.652 ' CB ' HE22 ' A' ' 554' ' ' GLN . 82.5 m -93.03 -159.1 0.65 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.47 -179.396 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 458' ' ' ASP . . . . . 0.469 ' N ' ' OE1' ' A' ' 554' ' ' GLN . 51.2 t0 -115.12 -28.75 6.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.627 -178.129 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 459' ' ' ARG . . . . . . . . . . . . . 26.4 ttm-85 -148.43 143.91 27.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.775 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 460' ' ' VAL . . . . . . . . . . . . . 62.0 t -148.0 143.74 19.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.292 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 461' ' ' ILE . . . . . . . . . . . . . 15.0 pt -140.16 148.9 22.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.931 -179.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 462' ' ' VAL . . . . . . . . . . . . . 40.6 t -111.97 133.35 57.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.398 178.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 463' ' ' TYR . . . . . 0.52 ' CE1' ' CD1' ' A' ' 551' ' ' ILE . 1.4 p90 -146.88 145.28 29.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.745 -178.812 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 464' ' ' ALA . . . . . . . . . . . . . . . -135.57 163.47 30.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.343 178.279 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 465' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -96.75 101.18 12.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.555 -178.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 466' ' ' ASP . . . . . 0.588 ' CG ' ' H ' ' A' ' 467' ' ' ASP . 31.1 t0 -73.12 -159.63 0.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.561 178.546 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 467' ' ' ASP . . . . . 0.588 ' H ' ' CG ' ' A' ' 466' ' ' ASP . 79.6 m-20 -91.71 15.61 12.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.512 -179.392 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 468' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -125.0 21.71 8.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.625 -178.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 469' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 52.27 16.76 0.63 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.609 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 470' ' ' VAL . . . . . . . . . . . . . 41.6 t -110.15 136.5 45.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.524 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -66.16 88.99 0.13 Allowed Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.904 -0.879 . . . . 0.0 110.904 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 472' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -47.72 133.82 13.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.774 0.321 . . . . 0.0 110.613 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 473' ' ' VAL . . . . . . . . . . . . . 4.1 t -76.44 89.06 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.501 -179.176 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 2.9 t -73.08 -69.05 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.643 178.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -151.28 141.33 22.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.508 178.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 476' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -123.89 130.8 53.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.602 179.415 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 9.8 t -132.61 114.92 14.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.493 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 478' ' ' VAL . . . . . . . . . . . . . 12.9 m -124.33 127.12 72.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.567 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 479' ' ' ALA . . . . . . . . . . . . . . . -57.82 168.57 0.89 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.541 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -61.75 144.15 55.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.541 -179.283 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 102.22 -31.0 9.21 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 178.115 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 482' ' ' TRP . . . . . . . . . . . . . 21.2 m95 -98.86 144.39 28.09 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 120.939 0.4 . . . . 0.0 110.671 178.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 483' ' ' PRO . . . . . 0.429 ' CD ' ' NZ ' ' A' ' 531' ' ' LYS . 59.9 Cg_endo -73.72 169.77 21.58 Favored 'Trans proline' 0 C--N 1.305 -1.763 0 C-N-CA 122.808 2.338 . . . . 0.0 112.094 -179.351 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -78.73 112.3 15.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.632 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -77.2 -10.16 59.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.552 -179.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 486' ' ' ARG . . . . . . . . . . . . . 65.5 ttt180 -53.53 -32.05 48.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.552 -179.547 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 487' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -71.46 -11.61 60.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.565 -179.196 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 92.1 mt-30 -105.01 117.77 34.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.542 -179.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 489' ' ' VAL . . . . . . . . . . . . . 59.2 t -102.3 117.41 47.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.495 179.116 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 490' ' ' ILE . . . . . 0.43 HD13 H911 ' A' ' 600' ' ' PVN . 5.5 pt -52.0 114.62 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.576 -179.478 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 79.0 tt0 -79.35 -33.36 43.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.587 -179.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 492' ' ' ASP . . . . . 0.661 ' OD2' H5C1 ' A' ' 600' ' ' PVN . 37.1 t0 -62.33 113.79 9.83 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.629 -179.481 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 493' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -84.99 138.21 6.69 Favored 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 122.914 2.409 . . . . 0.0 112.213 178.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 494' ' ' CYS . . . . . 0.406 ' O ' ' CG1' ' A' ' 500' ' ' VAL . 1.1 t -106.14 -21.19 13.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.513 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 495' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -55.91 -35.69 66.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.616 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 73.0 mtm180 -71.49 157.62 37.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.677 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 497' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 57.37 -176.29 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.598 179.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 498' ' ' HIS . . . . . 0.684 ' ND1' ' H ' ' A' ' 499' ' ' TRP . 11.1 t-80 -68.61 -141.79 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.622 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 499' ' ' TRP . . . . . 0.684 ' H ' ' ND1' ' A' ' 498' ' ' HIS . 15.9 t-105 72.77 -47.04 0.66 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.587 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 500' ' ' VAL . . . . . 0.43 ' H ' ' C ' ' A' ' 498' ' ' HIS . 13.0 m -53.97 -42.96 56.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.622 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 501' ' ' GLU . . . . . 0.43 ' N ' ' CG2' ' A' ' 500' ' ' VAL . 95.6 mt-10 -65.31 -30.11 70.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.536 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 502' ' ' ALA . . . . . . . . . . . . . . . -49.99 -45.56 51.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.551 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 503' ' ' TYR . . . . . 0.558 ' OH ' ' NE2' ' A' ' 509' ' ' GLN . 57.6 m-85 -76.17 -28.17 57.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.53 179.467 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 56.1 ttp180 -59.47 -16.65 25.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.588 -179.302 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -103.76 -2.84 25.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.615 -179.255 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . 83.45 36.38 14.5 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -179.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 507' ' ' ARG . . . . . . . . . . . . . 60.9 ttm-85 -73.85 147.27 43.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.79 0.329 . . . . 0.0 110.541 -179.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 6.7 pt -107.29 123.36 62.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.601 178.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 509' ' ' GLN . . . . . 0.558 ' NE2' ' OH ' ' A' ' 503' ' ' TYR . 6.3 tt0 -113.01 118.28 34.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.53 -178.673 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 510' ' ' ALA . . . . . . . . . . . . . . . -128.79 102.3 6.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.598 178.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 511' ' ' THR . . . . . . . . . . . . . 4.1 m -110.4 105.46 14.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.533 -179.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 512' ' ' THR . . . . . . . . . . . . . 38.5 p -52.21 -20.2 2.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.592 178.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 513' ' ' ASP . . . . . 0.526 ' OD2' ' NZ ' ' A' ' 516' ' ' LYS . 4.3 p30 -168.19 116.68 0.73 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.567 -179.281 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 514' ' ' ILE . . . . . . . . . . . . . 84.6 mt -68.81 -2.54 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.498 179.092 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 515' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -75.74 -30.21 59.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.515 -178.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 516' ' ' LYS . . . . . 0.526 ' NZ ' ' OD2' ' A' ' 513' ' ' ASP . 49.6 mttp -90.39 27.91 1.58 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.534 179.062 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -133.22 142.64 48.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.612 -177.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . 40.99 46.91 4.13 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.936 -0.865 . . . . 0.0 110.936 177.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 519' ' ' LEU . . . . . 0.495 ' C ' ' H ' ' A' ' 521' ' ' GLU . 8.9 mt -44.77 154.88 0.12 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.754 0.311 . . . . 0.0 110.577 177.595 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 520' ' ' THR . . . . . 0.438 ' HG1' ' C ' ' A' ' 519' ' ' LEU . 1.9 m 72.25 -41.83 0.52 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.589 177.647 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 521' ' ' GLU . . . . . 0.495 ' H ' ' C ' ' A' ' 519' ' ' LEU . 78.8 mt-10 -66.98 159.66 28.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.447 -179.127 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 522' ' ' CYS . . . . . 0.681 ' O ' ' CG ' ' A' ' 523' ' ' HIS . 1.2 p -62.64 130.69 46.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.544 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 523' ' ' HIS . . . . . 0.681 ' CG ' ' O ' ' A' ' 522' ' ' CYS . 17.9 m170 -170.09 -78.68 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.638 -179.315 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 524' ' ' LEU . . . . . 0.686 ' O ' ' HB2' ' A' ' 528' ' ' ARG . 15.7 mt -45.52 -29.71 1.24 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.754 177.384 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 525' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -55.1 -44.28 74.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.72 -177.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 526' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -103.34 -7.52 20.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.576 -179.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 13.4 mt -104.4 -30.94 9.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.548 -177.061 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 528' ' ' ARG . . . . . 0.686 ' HB2' ' O ' ' A' ' 524' ' ' LEU . 0.0 OUTLIER -66.84 -42.69 45.04 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.331 -177.482 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 529' ' ' PRO . . . . . 0.666 ' CD ' ' N ' ' A' ' 528' ' ' ARG . 37.6 Cg_exo -55.51 -45.83 36.77 Favored 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 122.968 2.445 . . . . 0.0 112.205 -179.065 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 22.2 mt -68.04 -6.18 21.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.643 -179.344 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 531' ' ' LYS . . . . . 0.429 ' NZ ' ' CD ' ' A' ' 483' ' ' PRO . 22.6 mtmt 62.13 27.92 16.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.522 177.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 532' ' ' VAL . . . . . 0.468 ' O ' ' CG2' ' A' ' 532' ' ' VAL . 23.5 m -75.53 105.87 4.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.628 178.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 533' ' ' ARG . . . . . 0.463 ' NH1' ' O ' ' A' ' 556' ' ' SER . 89.7 mtt180 -91.82 -13.19 31.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.33 -179.659 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -135.63 141.89 45.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.132 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 535' ' ' ASN . . . . . 0.426 HD22 H713 ' A' ' 600' ' ' PVN . 24.9 t-20 -128.34 119.91 25.99 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.711 -0.396 . . . . 0.0 111.254 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 536' ' ' LEU . . . . . . . . . . . . . 64.5 tp -132.5 128.1 36.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.979 177.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 64.0 t -130.14 147.49 33.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.063 0.458 . . . . 0.0 111.237 -177.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 538' ' ' VAL . . . . . . . . . . . . . 35.3 m -139.91 132.84 15.1 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.098 178.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 539' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -72.52 136.48 26.12 Favored 'Trans proline' 0 C--N 1.305 -1.76 0 C-N-CA 122.778 2.319 . . . . 0.0 112.486 -175.408 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 540' ' ' MET . . . . . 0.509 ' SD ' ' O ' ' A' ' 573' ' ' ALA . 5.2 ttt -133.68 116.36 15.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.078 176.569 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 541' ' ' VAL . . . . . . . . . . . . . 31.5 m -124.06 156.77 31.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.002 0.43 . . . . 0.0 111.114 -176.202 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 89.0 mt -126.25 129.46 72.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.062 179.114 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 543' ' ' ASP . . . . . . . . . . . . . 58.1 t0 44.22 45.88 7.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.322 -179.346 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 544' ' ' ASP . . . . . . . . . . . . . 42.5 t0 63.26 39.18 9.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.449 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 545' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -138.35 147.54 43.6 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.534 179.504 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 546' ' ' LEU . . . . . . . . . . . . . 33.3 tp -78.71 125.18 29.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.639 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 547' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -114.46 -53.89 2.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.466 -179.217 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -175.2 -177.45 44.29 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 -179.223 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 549' ' ' LEU . . . . . . . . . . . . . 5.3 mp -143.69 142.99 31.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.843 0.354 . . . . 0.0 110.548 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 550' ' ' LEU . . . . . 0.539 ' CD1' ' N ' ' A' ' 550' ' ' LEU . 7.4 mp -93.81 124.81 38.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.293 179.306 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 551' ' ' ILE . . . . . 0.539 ' CG2' ' CE1' ' A' ' 553' ' ' HIS . 5.2 mt -116.59 138.54 46.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.929 -178.82 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -123.96 114.16 19.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.269 178.152 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 553' ' ' HIS . . . . . 0.539 ' CE1' ' CG2' ' A' ' 551' ' ' ILE . 56.0 m80 -108.51 128.5 54.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.963 0.411 . . . . 0.0 110.803 -179.479 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 554' ' ' GLN . . . . . 0.652 HE22 ' CB ' ' A' ' 457' ' ' CYS . 4.3 tp-100 -88.01 114.76 24.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.643 174.549 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -89.0 -7.56 55.75 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.498 -176.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 556' ' ' SER . . . . . 0.463 ' O ' ' NH1' ' A' ' 533' ' ' ARG . 14.4 t -94.3 -32.42 13.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.541 -177.791 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 173.86 150.76 0.24 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.419 -178.219 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 558' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -70.22 124.58 11.03 Favored 'Trans proline' 0 C--N 1.304 -1.791 0 C-N-CA 122.751 2.301 . . . . 0.0 112.289 178.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 559' ' ' ARG . . . . . 0.512 ' NH2' ' OE1' ' A' ' 565' ' ' GLU . 9.0 ptm180 -117.65 140.69 49.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.372 -176.748 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 560' ' ' GLN . . . . . . . . . . . . . 39.0 tp60 -78.23 116.87 18.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.652 176.354 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 561' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -60.12 146.83 41.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.323 -177.296 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -93.01 139.16 30.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.873 177.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 563' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -47.41 -42.73 22.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.488 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 564' ' ' ILE . . . . . 0.408 HD13 HG21 ' A' ' 564' ' ' ILE . 6.3 mm -74.71 -34.33 33.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.506 179.531 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 565' ' ' GLU . . . . . 0.512 ' OE1' ' NH2' ' A' ' 559' ' ' ARG . 90.1 mt-10 -68.03 -37.9 81.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.558 -179.478 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 566' ' ' ILE . . . . . . . . . . . . . 98.1 mt -68.25 -48.85 71.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.547 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -61.64 -45.44 94.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.581 -179.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 568' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -64.8 -43.46 93.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.538 -179.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 569' ' ' PHE . . . . . . . . . . . . . 50.1 t80 -63.96 -42.49 97.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.502 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 23.1 t -60.86 -39.78 90.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.459 178.036 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 -57.34 -39.57 76.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.521 177.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 13.2 tp -58.77 -43.94 90.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.498 178.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 573' ' ' ALA . . . . . 0.509 ' O ' ' SD ' ' A' ' 540' ' ' MET . . . -65.47 -45.85 82.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.436 179.782 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 574' ' ' SER . . . . . . . . . . . . . 20.2 t -62.4 -33.55 74.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.602 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 31.9 m -53.72 -54.95 30.8 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.515 -178.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -52.64 -36.88 49.57 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 577' ' ' SER . . . . . 0.42 ' OG ' ' CG ' ' A' ' 540' ' ' MET . 1.9 m -59.7 -37.37 78.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.783 0.325 . . . . 0.0 110.519 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 33.9 mt -57.17 -53.21 60.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.557 -178.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 72.0 t -70.44 -52.77 26.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.482 -178.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 580' ' ' LEU . . . . . . . . . . . . . 7.4 mp -50.56 -33.94 23.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.568 -179.232 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 581' ' ' GLU . . . . . 0.458 ' O ' ' CD1' ' A' ' 585' ' ' PHE . 85.9 tt0 -58.29 -55.22 37.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.629 -179.539 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 582' ' ' ARG . . . . . . . . . . . . . 93.1 mtt180 -83.31 -33.3 25.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.823 -179.167 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 583' ' ' LEU . . . . . 0.419 ' C ' ' CD2' ' A' ' 583' ' ' LEU . 3.5 tt -67.38 -61.23 2.01 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.651 -178.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 584' ' ' HIS . . . . . . . . . . . . . 76.9 t60 -54.67 -43.26 72.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.602 -178.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 585' ' ' PHE . . . . . 0.458 ' CD1' ' O ' ' A' ' 581' ' ' GLU . 9.5 m-85 -67.03 -44.77 79.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.671 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 27.7 tp -49.78 -51.21 41.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.642 179.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 587' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -53.97 -35.69 62.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.635 178.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 588' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -62.89 -47.41 83.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.657 179.607 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 589' ' ' THR . . . . . . . . . . . . . 36.3 m -57.49 -34.1 68.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.553 -179.074 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 590' ' ' ILE . . . . . . . . . . . . . 73.4 mt -54.48 -47.45 70.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.614 -178.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -65.89 -24.13 66.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.534 -179.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 4.9 t -62.11 -9.75 8.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.578 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 593' ' ' LEU . . . . . 0.413 ' N ' ' CD1' ' A' ' 593' ' ' LEU . 9.9 mp . . . . . 0 C--O 1.221 -0.445 0 CA-C-O 117.978 -1.011 . . . . 0.0 110.545 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 600' ' ' PVN . . . . . 0.661 H5C1 ' OD2' ' A' ' 492' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 429' ' ' MET . . . . . . . . . . . . . 71.2 mtm . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 430' ' ' ALA . . . . . . . . . . . . . . . 62.03 30.45 17.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.633 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -82.96 112.37 19.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.584 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 98.9 t -100.8 -35.09 4.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.577 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -59.69 -40.17 86.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.533 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 66.0 mt -61.83 -40.54 95.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.586 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 19.2 m -65.94 -40.69 91.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.59 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 436' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -75.11 6.94 3.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.579 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 437' ' ' LEU . . . . . . . . . . . . . 15.1 tp -74.61 116.78 15.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.616 179.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 438' ' ' ARG . . . . . 0.416 ' CA ' ' HE ' ' A' ' 438' ' ' ARG . 0.0 OUTLIER -173.13 76.08 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.607 -179.807 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 439' ' ' ASP . . . . . 0.449 ' OD1' ' N ' ' A' ' 440' ' ' ARG . 56.5 t0 -140.76 147.57 39.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.538 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 440' ' ' ARG . . . . . 0.449 ' N ' ' OD1' ' A' ' 439' ' ' ASP . 82.0 mtp180 -55.94 -34.13 65.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.602 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 3.0 mm100 -68.94 -38.03 79.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.654 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -56.59 -54.67 43.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.714 -179.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 28.3 pt -60.32 -30.46 46.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.704 -179.101 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 444' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -79.56 -49.11 12.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.664 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -56.89 -23.99 48.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.74 179.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 446' ' ' THR . . . . . 0.405 ' O ' ' C ' ' A' ' 447' ' ' LEU . 78.4 m -72.69 -59.49 2.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.635 -179.26 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 447' ' ' LEU . . . . . 0.455 ' H ' ' HG ' ' A' ' 447' ' ' LEU . 15.8 mt -39.19 -58.29 1.19 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.611 -179.219 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 448' ' ' VAL . . . . . 0.492 ' CG2' ' HG ' ' A' ' 477' ' ' SER . 7.1 p -57.43 -37.78 59.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.61 -179.739 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 449' ' ' ALA . . . . . 0.402 ' N ' ' O ' ' A' ' 446' ' ' THR . . . -56.75 -45.09 82.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.623 179.201 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 450' ' ' LYS . . . . . . . . . . . . . 82.0 mttt -71.18 -43.62 67.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.657 178.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . -48.49 -48.95 27.55 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 452' ' ' ARG . . . . . . . . . . . . . 59.4 ttp180 -58.14 -42.89 86.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.826 0.346 . . . . 0.0 110.638 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -74.38 -38.09 63.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.659 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 33.5 mt -67.62 -56.49 9.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.574 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 455' ' ' LEU . . . . . 0.416 ' CD1' ' CE1' ' A' ' 569' ' ' PHE . 87.3 mt -70.73 -26.55 63.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.55 179.33 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . 59.56 44.16 15.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.684 -175.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 457' ' ' CYS . . . . . 0.588 ' SG ' ' NH1' ' A' ' 559' ' ' ARG . 65.0 m -91.38 -159.42 0.64 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.495 -179.46 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 458' ' ' ASP . . . . . 0.448 ' N ' ' NE2' ' A' ' 554' ' ' GLN . 52.7 t0 -114.87 -28.86 6.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.584 -178.282 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 459' ' ' ARG . . . . . 0.671 HH21 ' ND1' ' A' ' 553' ' ' HIS . 10.5 ttp180 -148.08 142.67 26.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.703 -179.49 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 460' ' ' VAL . . . . . 0.423 ' O ' ' O ' ' A' ' 477' ' ' SER . 39.8 t -148.83 144.2 18.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.287 179.558 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 461' ' ' ILE . . . . . . . . . . . . . 13.9 pt -143.12 152.21 16.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.869 0.366 . . . . 0.0 110.829 -178.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 462' ' ' VAL . . . . . . . . . . . . . 45.5 t -113.23 133.18 59.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.339 177.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 463' ' ' TYR . . . . . 0.57 ' CD1' ' C ' ' A' ' 463' ' ' TYR . 0.0 OUTLIER -144.01 145.33 32.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.744 -177.954 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 464' ' ' ALA . . . . . 0.502 ' N ' ' CD1' ' A' ' 463' ' ' TYR . . . -137.92 164.91 27.82 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.425 176.784 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 465' ' ' PHE . . . . . 0.477 ' CG ' ' O ' ' A' ' 465' ' ' PHE . 17.0 p90 -107.75 109.42 20.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.586 -179.051 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 466' ' ' ASP . . . . . 0.599 ' CG ' ' H ' ' A' ' 467' ' ' ASP . 31.2 t0 -73.63 -156.21 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.56 179.172 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 467' ' ' ASP . . . . . 0.599 ' H ' ' CG ' ' A' ' 466' ' ' ASP . 43.8 t0 -89.88 18.06 6.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.55 -179.811 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 468' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -126.49 8.14 7.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.555 -178.534 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 469' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 64.03 17.53 10.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.572 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 470' ' ' VAL . . . . . . . . . . . . . 98.3 t -103.81 135.39 41.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.614 179.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -63.97 106.02 1.28 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 472' ' ' THR . . . . . . . . . . . . . 63.8 m -65.73 135.91 55.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.81 0.338 . . . . 0.0 110.589 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 473' ' ' VAL . . . . . . . . . . . . . 4.5 m -85.7 71.63 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.504 -179.429 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 2.8 t -60.16 -68.07 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.678 179.239 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -151.81 141.9 22.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.592 179.062 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 476' ' ' GLU . . . . . 0.519 ' OE1' ' N ' ' A' ' 486' ' ' ARG . 63.5 tt0 -127.31 134.54 50.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.521 179.215 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 477' ' ' SER . . . . . 0.492 ' HG ' ' CG2' ' A' ' 448' ' ' VAL . 25.1 p -132.35 113.79 13.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.474 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 478' ' ' VAL . . . . . . . . . . . . . 24.7 m -123.99 127.4 73.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.684 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 479' ' ' ALA . . . . . . . . . . . . . . . -58.06 167.36 1.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.569 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -61.33 145.93 49.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.54 -179.248 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 100.35 -31.07 8.94 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 177.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 482' ' ' TRP . . . . . . . . . . . . . 22.4 m95 -98.5 141.12 22.4 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 120.948 0.404 . . . . 0.0 110.651 178.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 483' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_endo -74.49 173.23 14.64 Favored 'Trans proline' 0 C--N 1.306 -1.701 0 C-N-CA 122.845 2.363 . . . . 0.0 112.111 -179.104 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -87.54 119.78 28.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.646 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 485' ' ' ALA . . . . . 0.51 ' N ' ' OE2' ' A' ' 476' ' ' GLU . . . -75.95 -8.36 56.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.55 -179.615 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 486' ' ' ARG . . . . . 0.519 ' N ' ' OE1' ' A' ' 476' ' ' GLU . 74.3 ttt180 -50.32 -29.78 10.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.615 -179.347 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 487' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -67.8 -15.42 63.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.543 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -108.11 114.44 28.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.559 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 489' ' ' VAL . . . . . . . . . . . . . 9.9 p -91.74 113.32 26.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.523 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 490' ' ' ILE . . . . . 0.463 ' CG2' H911 ' A' ' 600' ' ' PVN . 62.0 mt -45.7 103.94 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.599 179.49 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -79.37 -31.7 42.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.551 -179.655 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 492' ' ' ASP . . . . . 0.439 ' CG ' H321 ' A' ' 600' ' ' PVN . 39.7 t0 -69.18 117.86 56.2 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.541 -179.623 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 493' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -80.31 149.62 19.44 Favored 'Trans proline' 0 C--N 1.304 -1.764 0 C-N-CA 122.981 2.454 . . . . 0.0 112.206 179.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 494' ' ' CYS . . . . . 0.491 ' O ' ' CG1' ' A' ' 500' ' ' VAL . 8.9 t -101.49 -27.11 13.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.517 -179.588 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 495' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -61.84 -46.66 88.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.643 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -59.89 -36.13 76.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.608 -179.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 497' ' ' GLU . . . . . 0.524 ' HG2' H5C2 ' A' ' 600' ' ' PVN . 90.8 mt-10 -56.23 141.89 39.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.612 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 498' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -80.45 -20.01 44.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.593 179.545 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 499' ' ' TRP . . . . . 0.709 ' CD1' H511 ' A' ' 600' ' ' PVN . 44.9 m95 -62.9 -17.9 62.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.586 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 500' ' ' VAL . . . . . 0.491 ' CG1' ' O ' ' A' ' 494' ' ' CYS . 24.5 m -42.17 -38.34 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.643 179.755 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -62.13 -34.7 76.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.544 179.329 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 502' ' ' ALA . . . . . 0.519 ' N ' ' O ' ' A' ' 499' ' ' TRP . . . -57.02 -39.49 74.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.607 179.566 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 -79.51 -33.43 42.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.58 179.353 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 56.7 ttp180 -54.8 -17.68 3.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.595 179.021 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -87.9 -10.07 51.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.633 179.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . 80.61 2.75 90.0 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 507' ' ' ARG . . . . . 0.6 ' CG ' ' H ' ' A' ' 508' ' ' ILE . 32.4 ttm180 -57.26 175.64 0.14 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.828 0.347 . . . . 0.0 110.577 -179.024 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 508' ' ' ILE . . . . . 0.6 ' H ' ' CG ' ' A' ' 507' ' ' ARG . 71.4 mt -115.16 136.03 53.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.618 -179.181 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 509' ' ' GLN . . . . . . . . . . . . . 11.3 tp-100 -112.13 119.77 39.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.567 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 510' ' ' ALA . . . . . . . . . . . . . . . -129.69 101.62 5.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.581 179.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 511' ' ' THR . . . . . . . . . . . . . 5.1 m -109.35 103.69 12.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.612 179.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 512' ' ' THR . . . . . . . . . . . . . 41.6 p -51.57 -20.48 1.97 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.455 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 513' ' ' ASP . . . . . 0.438 ' OD1' ' O ' ' A' ' 513' ' ' ASP . 15.3 p30 -168.81 116.47 0.66 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.563 -178.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 514' ' ' ILE . . . . . 0.413 HD12 HG23 ' A' ' 514' ' ' ILE . 87.5 mt -68.46 -2.32 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.52 178.784 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 515' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -72.02 -29.38 64.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.548 -179.107 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 77.4 mttt -93.27 27.58 2.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.543 179.334 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -130.88 141.05 50.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.486 -177.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . 41.04 44.81 3.72 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 177.191 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 519' ' ' LEU . . . . . 0.562 ' C ' ' H ' ' A' ' 521' ' ' GLU . 2.1 mt -42.47 155.69 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.756 0.312 . . . . 0.0 110.661 177.766 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 520' ' ' THR . . . . . 0.485 ' OG1' ' O ' ' A' ' 519' ' ' LEU . 2.2 p 67.83 -41.7 0.44 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.622 178.08 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 521' ' ' GLU . . . . . 0.562 ' H ' ' C ' ' A' ' 519' ' ' LEU . 58.8 tt0 -66.95 162.44 21.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.391 -178.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 522' ' ' CYS . . . . . 0.696 ' O ' ' CG ' ' A' ' 523' ' ' HIS . 0.8 OUTLIER -58.28 124.52 19.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.544 179.326 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 523' ' ' HIS . . . . . 0.696 ' CG ' ' O ' ' A' ' 522' ' ' CYS . 13.0 m170 -173.19 -80.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.646 -178.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 524' ' ' LEU . . . . . 0.509 ' O ' ' N ' ' A' ' 528' ' ' ARG . 0.6 OUTLIER -49.5 -34.87 18.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.754 178.169 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 525' ' ' ASN . . . . . . . . . . . . . 47.2 t-20 -58.42 -41.5 85.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.672 -178.15 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 526' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -100.51 -8.7 22.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.588 -178.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 17.2 mt -105.37 -24.12 12.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.58 -178.173 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 528' ' ' ARG . . . . . 0.708 ' N ' ' CD ' ' A' ' 529' ' ' PRO . 18.0 tpt180 -67.28 -39.9 23.76 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.274 -177.794 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 529' ' ' PRO . . . . . 0.708 ' CD ' ' N ' ' A' ' 528' ' ' ARG . 34.9 Cg_exo -59.66 -46.46 20.28 Favored 'Trans proline' 0 C--N 1.306 -1.69 0 C-N-CA 122.922 2.415 . . . . 0.0 112.225 -177.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 49.7 mt -67.73 -8.53 36.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.704 -178.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 19.8 mtmt 62.61 27.66 16.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.474 178.167 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 532' ' ' VAL . . . . . 0.416 ' O ' ' CG2' ' A' ' 532' ' ' VAL . 31.2 m -76.46 108.75 9.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.671 178.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 69.0 mtp85 -95.38 -14.39 23.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.311 -179.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -131.92 139.68 48.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.1 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 535' ' ' ASN . . . . . 0.61 ' ND2' H621 ' A' ' 600' ' ' PVN . 29.6 t30 -127.9 118.54 23.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.921 0.391 . . . . 0.0 111.198 -179.753 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 536' ' ' LEU . . . . . . . . . . . . . 64.5 tp -132.89 126.69 32.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.953 176.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 39.2 t -127.83 144.35 37.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.923 0.392 . . . . 0.0 111.237 -176.476 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 538' ' ' VAL . . . . . 0.433 ' O ' HG21 ' A' ' 538' ' ' VAL . 27.1 m -155.28 82.16 3.95 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.093 178.693 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 539' ' ' PRO . . . . . . . . . . . . . 78.7 Cg_endo -87.22 137.73 4.51 Favored 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.807 2.338 . . . . 0.0 112.445 -176.463 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 540' ' ' MET . . . . . 0.533 ' SD ' ' O ' ' A' ' 573' ' ' ALA . 5.9 ptt? -92.67 150.28 20.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.101 177.182 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 541' ' ' VAL . . . . . . . . . . . . . 20.5 m -121.9 143.52 34.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.148 -176.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 542' ' ' ILE . . . . . 0.429 HD13 HG22 ' A' ' 542' ' ' ILE . 96.7 mt -135.8 128.11 46.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.094 178.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 543' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 57.97 44.9 18.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.213 -179.376 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 544' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 58.37 41.41 23.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.408 179.374 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 545' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -157.38 148.52 21.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.554 179.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 546' ' ' LEU . . . . . 0.566 ' CD1' ' N ' ' A' ' 546' ' ' LEU . 6.7 mp -76.22 142.47 41.46 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.575 179.567 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 547' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -116.72 -37.17 3.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.55 -179.338 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -156.73 161.26 30.88 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 -178.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 549' ' ' LEU . . . . . 0.469 ' N ' HD13 ' A' ' 549' ' ' LEU . 1.4 mp -137.44 114.5 10.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.813 0.339 . . . . 0.0 110.623 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 550' ' ' LEU . . . . . 0.427 ' CD1' ' N ' ' A' ' 550' ' ' LEU . 10.4 mp -94.35 113.54 25.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.292 179.441 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 551' ' ' ILE . . . . . 0.513 ' CG2' ' CE1' ' A' ' 553' ' ' HIS . 9.8 mt -118.66 139.35 46.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.916 -178.268 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -124.83 116.53 22.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.195 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 553' ' ' HIS . . . . . 0.671 ' ND1' HH21 ' A' ' 459' ' ' ARG . 48.1 m80 -109.94 128.62 55.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.905 0.383 . . . . 0.0 110.822 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 554' ' ' GLN . . . . . 0.508 HE22 ' C ' ' A' ' 457' ' ' CYS . 23.3 tp60 -88.24 112.78 23.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.65 174.755 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -87.62 -7.34 57.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.452 -176.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 556' ' ' SER . . . . . . . . . . . . . 86.0 p -94.26 -31.4 14.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.477 -177.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 173.3 150.13 0.23 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.364 -178.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 558' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_endo -70.05 125.11 11.62 Favored 'Trans proline' 0 C--N 1.305 -1.72 0 C-N-CA 122.826 2.351 . . . . 0.0 112.188 179.02 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 559' ' ' ARG . . . . . 0.588 ' NH1' ' SG ' ' A' ' 457' ' ' CYS . 15.6 ptm180 -117.19 140.17 49.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.349 -176.392 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 560' ' ' GLN . . . . . . . . . . . . . 36.4 tp60 -78.57 116.19 18.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.638 176.239 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 561' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -59.99 136.7 58.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.337 -177.161 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.4 138.81 35.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.836 177.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 563' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -47.37 -43.23 23.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.48 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 564' ' ' ILE . . . . . . . . . . . . . 5.0 mm -74.07 -35.03 40.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.584 179.463 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -67.52 -37.01 82.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.558 -179.489 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 566' ' ' ILE . . . . . . . . . . . . . 96.7 mt -66.61 -50.19 68.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.68 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 61.8 t0 -61.77 -45.83 92.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.59 -179.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 568' ' ' GLN . . . . . 0.606 ' O ' ' HG2' ' A' ' 571' ' ' GLU . 43.1 mt-30 -63.39 -45.97 88.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.57 -179.266 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 569' ' ' PHE . . . . . 0.416 ' CE1' ' CD1' ' A' ' 455' ' ' LEU . 47.5 t80 -62.74 -42.71 99.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.495 -179.466 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 84.4 p -61.61 -27.75 68.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.483 178.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 571' ' ' GLU . . . . . 0.606 ' HG2' ' O ' ' A' ' 568' ' ' GLN . 3.9 pt-20 -66.49 -39.24 88.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.478 179.142 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 572' ' ' LEU . . . . . 0.568 ' N ' ' HG2' ' A' ' 571' ' ' GLU . 12.9 tp -59.1 -43.98 91.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.551 179.105 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 573' ' ' ALA . . . . . 0.533 ' O ' ' SD ' ' A' ' 540' ' ' MET . . . -65.58 -45.65 82.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.468 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 574' ' ' SER . . . . . 0.451 ' O ' ' OG ' ' A' ' 577' ' ' SER . 85.2 p -61.68 -32.01 72.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.529 179.701 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 31.9 m -56.34 -53.5 56.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.579 -179.042 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 576' ' ' GLY . . . . . 0.506 ' O ' ' N ' ' A' ' 580' ' ' LEU . . . -53.07 -38.77 56.48 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 577' ' ' SER . . . . . 0.451 ' OG ' ' O ' ' A' ' 574' ' ' SER . 19.0 p -58.73 -28.68 66.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.765 0.316 . . . . 0.0 110.488 -179.421 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 21.4 mt -68.14 -53.46 25.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.54 -179.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 579' ' ' VAL . . . . . 0.475 ' CG1' ' N ' ' A' ' 580' ' ' LEU . 10.9 p -85.06 -45.57 17.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.528 -178.81 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 580' ' ' LEU . . . . . 0.506 ' N ' ' O ' ' A' ' 576' ' ' GLY . 38.8 tp -48.82 -40.52 29.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.534 -179.55 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -67.08 -53.38 31.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.608 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 582' ' ' ARG . . . . . . . . . . . . . 52.6 mtm180 -66.73 -35.2 79.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.676 -179.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 50.8 tp -73.51 -56.69 4.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.636 -179.396 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 584' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -49.5 -39.17 33.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.641 -179.332 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 585' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -73.01 -48.59 34.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.664 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 28.1 tp -50.58 -51.36 49.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.75 179.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 587' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -57.94 -37.43 74.09 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.659 179.065 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 588' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -64.61 -51.57 61.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.674 -179.139 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 589' ' ' THR . . . . . . . . . . . . . 71.0 p -60.39 -30.43 69.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.58 -178.376 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 590' ' ' ILE . . . . . 0.408 HG21 HD12 ' A' ' 590' ' ' ILE . 35.2 mt -64.24 -32.66 58.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.572 -179.021 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -65.26 -59.73 3.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.586 -179.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 26.6 t -63.17 -36.65 84.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.567 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 36.7 mt . . . . . 0 C--O 1.219 -0.532 0 CA-C-O 118.032 -0.985 . . . . 0.0 110.551 179.789 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 600' ' ' PVN . . . . . 0.709 H511 ' CD1' ' A' ' 499' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 429' ' ' MET . . . . . . . . . . . . . 90.1 mtp . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 430' ' ' ALA . . . . . . . . . . . . . . . -151.73 156.29 40.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.573 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -80.47 61.58 4.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.526 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 7.2 p -51.21 -34.86 15.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.556 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -57.74 -37.67 74.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.598 -179.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 12.3 tp -60.2 -40.74 91.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.588 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 435' ' ' SER . . . . . 0.419 ' C ' ' H ' ' A' ' 437' ' ' LEU . 44.3 m -61.72 -31.82 72.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.599 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 436' ' ' GLU . . . . . . . . . . . . . 27.3 tp10 -58.93 -8.14 1.29 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.644 -179.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 437' ' ' LEU . . . . . 0.419 ' H ' ' C ' ' A' ' 435' ' ' SER . 39.3 mt -92.57 109.35 20.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.597 -179.747 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 51.7 ttt85 -174.44 -13.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.582 -179.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 54.6 p30 -62.93 -178.51 0.22 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.615 -179.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 68.6 ttt180 -55.5 -33.77 64.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.542 -179.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -69.98 -33.69 72.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.683 -179.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -57.03 -55.25 37.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.72 -179.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 24.5 pt -59.04 -29.14 40.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.764 -179.29 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 444' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -79.17 -49.22 12.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.617 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -56.73 -25.56 54.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.661 179.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 446' ' ' THR . . . . . 0.468 ' O ' ' N ' ' A' ' 449' ' ' ALA . 98.0 m -71.06 -60.26 2.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.628 -179.319 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 447' ' ' LEU . . . . . 0.419 ' H ' ' HG ' ' A' ' 447' ' ' LEU . 16.6 mt -38.42 -55.66 1.35 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.591 -179.552 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 448' ' ' VAL . . . . . . . . . . . . . 7.7 p -61.14 -35.49 66.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.674 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 449' ' ' ALA . . . . . 0.468 ' N ' ' O ' ' A' ' 446' ' ' THR . . . -59.46 -46.98 87.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.681 179.473 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 450' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -68.51 -45.44 72.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.632 178.199 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . -48.29 -47.2 28.04 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 179.189 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 452' ' ' ARG . . . . . . . . . . . . . 68.9 ttp85 -56.62 -43.81 80.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.828 0.346 . . . . 0.0 110.665 179.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -77.27 -38.34 51.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.655 -179.28 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 39.3 mt -66.47 -59.07 3.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.649 -179.358 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 455' ' ' LEU . . . . . 0.445 ' CD1' ' CE1' ' A' ' 569' ' ' PHE . 88.7 mt -71.26 -26.77 63.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.549 179.2 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . 59.5 42.47 17.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.612 -175.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 457' ' ' CYS . . . . . 0.525 ' SG ' ' O ' ' A' ' 459' ' ' ARG . 40.2 t -94.2 138.61 32.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.429 -178.467 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 458' ' ' ASP . . . . . 0.774 ' H ' ' NE2' ' A' ' 554' ' ' GLN . 45.0 t0 -48.7 -32.86 9.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.601 178.814 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 459' ' ' ARG . . . . . 0.525 ' O ' ' SG ' ' A' ' 457' ' ' CYS . 21.7 mtp-105 -147.14 144.97 29.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.751 -178.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 460' ' ' VAL . . . . . . . . . . . . . 7.5 p -150.88 145.02 16.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.276 178.474 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 461' ' ' ILE . . . . . . . . . . . . . 13.9 pt -144.45 153.17 15.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.871 -178.134 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 462' ' ' VAL . . . . . . . . . . . . . 93.0 t -113.52 134.19 57.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.345 177.439 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 463' ' ' TYR . . . . . 0.547 ' O ' ' CD1' ' A' ' 463' ' ' TYR . 0.0 OUTLIER -141.32 142.28 33.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.704 -177.913 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 464' ' ' ALA . . . . . . . . . . . . . . . -136.47 164.32 28.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.346 177.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 465' ' ' PHE . . . . . 0.487 ' O ' ' CD2' ' A' ' 465' ' ' PHE . 13.3 p90 -100.51 104.39 15.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.539 -179.178 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 466' ' ' ASP . . . . . 0.604 ' CG ' ' H ' ' A' ' 467' ' ' ASP . 35.9 t0 -72.45 -159.37 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.496 179.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 467' ' ' ASP . . . . . 0.604 ' H ' ' CG ' ' A' ' 466' ' ' ASP . 88.2 m-20 -92.5 14.14 17.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.618 -179.269 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 468' ' ' ASN . . . . . 0.472 ' C ' ' H ' ' A' ' 470' ' ' VAL . 0.6 OUTLIER -124.98 28.38 6.44 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.544 -178.484 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 469' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 46.83 15.77 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.629 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 470' ' ' VAL . . . . . 0.472 ' H ' ' C ' ' A' ' 468' ' ' ASN . 25.3 t -108.32 133.8 52.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.582 179.132 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -65.6 98.35 0.33 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 472' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -57.23 130.83 47.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.858 0.361 . . . . 0.0 110.613 179.701 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 473' ' ' VAL . . . . . . . . . . . . . 3.1 m -78.61 79.67 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.532 -179.194 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 2.0 t -59.07 -67.16 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.631 178.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -150.7 141.42 22.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.56 179.052 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 476' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -125.59 131.69 52.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.611 179.171 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 23.1 t -134.89 118.66 17.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.474 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 478' ' ' VAL . . . . . 0.489 ' CG1' HH21 ' A' ' 459' ' ' ARG . 4.7 m -123.78 126.64 73.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.568 179.733 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 479' ' ' ALA . . . . . . . . . . . . . . . -57.48 169.05 0.69 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.491 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 480' ' ' GLU . . . . . 0.465 ' CD ' ' H ' ' A' ' 480' ' ' GLU . 47.9 mp0 -61.72 143.75 55.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.58 -179.149 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 100.15 -30.55 9.89 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.871 -0.892 . . . . 0.0 110.871 178.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 482' ' ' TRP . . . . . . . . . . . . . 13.1 m95 -100.59 146.66 32.43 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 120.964 0.412 . . . . 0.0 110.668 178.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 483' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -78.28 168.39 21.74 Favored 'Trans proline' 0 C--N 1.304 -1.782 0 C-N-CA 122.889 2.393 . . . . 0.0 112.093 -178.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 484' ' ' GLN . . . . . 0.442 ' NE2' ' CG2' ' A' ' 478' ' ' VAL . 80.9 mm-40 -80.1 117.35 20.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.681 179.701 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -76.15 -10.5 59.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.491 -179.458 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 486' ' ' ARG . . . . . . . . . . . . . 71.0 ttt180 -54.5 -31.82 56.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.606 -179.367 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 487' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -68.57 -11.79 60.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.551 -179.183 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -105.76 116.46 31.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.516 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 489' ' ' VAL . . . . . . . . . . . . . 91.0 t -89.86 103.65 14.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.554 179.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 490' ' ' ILE . . . . . 0.437 HD13 HG22 ' A' ' 490' ' ' ILE . 4.9 pt -51.99 116.32 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.554 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 42.7 tp10 -78.87 -24.54 44.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.551 -179.016 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 492' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -59.97 122.37 65.48 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.538 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 493' ' ' PRO . . . . . 0.584 ' C ' ' H ' ' A' ' 495' ' ' PHE . 96.9 Cg_endo -79.75 -40.21 0.25 Allowed 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 122.917 2.412 . . . . 0.0 112.18 -179.551 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 494' ' ' CYS . . . . . . . . . . . . . 3.9 t 68.85 -35.42 0.3 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.569 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 495' ' ' PHE . . . . . 0.584 ' H ' ' C ' ' A' ' 493' ' ' PRO . 68.2 t80 -56.91 -39.16 73.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.567 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 496' ' ' ARG . . . . . 0.419 ' O ' ' O ' ' A' ' 495' ' ' PHE . 64.2 mtp85 -47.51 176.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.573 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 497' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 56.59 -167.7 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.58 -179.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 498' ' ' HIS . . . . . . . . . . . . . 74.3 m80 -97.91 5.89 48.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.645 -179.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 499' ' ' TRP . . . . . 0.504 ' CE2' H521 ' A' ' 600' ' ' PVN . 13.1 m95 -52.1 -32.09 33.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.603 -179.728 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 500' ' ' VAL . . . . . . . . . . . . . 19.4 m -56.95 -40.15 70.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.629 179.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -63.64 -32.98 74.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.542 179.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 502' ' ' ALA . . . . . . . . . . . . . . . -56.11 -45.23 79.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.608 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 503' ' ' TYR . . . . . 0.419 ' CD1' ' CD2' ' A' ' 549' ' ' LEU . 75.0 m-85 -78.9 -26.18 43.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.589 179.262 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 10.9 tpp85 -62.36 -17.58 59.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.561 -179.284 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -105.81 -2.88 22.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.644 -179.098 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . 84.3 37.5 10.96 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.45 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 507' ' ' ARG . . . . . 0.557 HH12 ' NE2' ' A' ' 509' ' ' GLN . 57.4 ttt-85 -73.28 147.13 44.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.696 0.284 . . . . 0.0 110.6 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 78.9 mt -107.19 123.56 62.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.602 179.203 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 509' ' ' GLN . . . . . 0.557 ' NE2' HH12 ' A' ' 507' ' ' ARG . 6.4 tp-100 -112.74 118.07 33.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.503 -179.031 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 510' ' ' ALA . . . . . . . . . . . . . . . -127.86 101.16 6.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.589 178.123 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 511' ' ' THR . . . . . . . . . . . . . 4.7 m -110.3 105.15 14.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.567 -179.155 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 512' ' ' THR . . . . . . . . . . . . . 37.1 p -52.41 -20.71 3.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.515 179.304 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 513' ' ' ASP . . . . . 0.508 ' N ' ' OD1' ' A' ' 513' ' ' ASP . 17.2 p-10 -168.03 117.76 0.78 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.566 -179.073 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 514' ' ' ILE . . . . . 0.413 ' O ' ' CG2' ' A' ' 514' ' ' ILE . 92.1 mt -70.36 -1.27 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.551 178.553 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 515' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -69.9 -29.13 66.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.544 -178.076 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 18.5 pttp -94.72 29.1 2.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.55 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -129.78 141.46 50.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.535 -177.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . 41.36 44.09 3.86 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 176.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 519' ' ' LEU . . . . . 0.526 ' C ' ' H ' ' A' ' 521' ' ' GLU . 1.5 mt -43.1 157.71 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.854 0.359 . . . . 0.0 110.594 178.063 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 520' ' ' THR . . . . . . . . . . . . . 2.9 m 68.14 -44.36 0.5 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.579 178.363 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 521' ' ' GLU . . . . . 0.526 ' H ' ' C ' ' A' ' 519' ' ' LEU . 61.0 tt0 -65.64 160.43 22.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.518 -179.581 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 522' ' ' CYS . . . . . 0.69 ' O ' ' CG ' ' A' ' 523' ' ' HIS . 1.5 p -60.71 126.77 28.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.497 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 523' ' ' HIS . . . . . 0.69 ' CG ' ' O ' ' A' ' 522' ' ' CYS . 14.5 m170 -172.06 -79.98 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.642 -178.569 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 524' ' ' LEU . . . . . 0.559 ' O ' ' N ' ' A' ' 528' ' ' ARG . 0.6 OUTLIER -47.76 -33.0 6.53 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.645 177.815 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 525' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -58.09 -41.52 83.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.718 -177.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 526' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -98.42 -8.81 26.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.6 -177.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 43.1 mt -106.86 -25.46 11.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.506 -178.271 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 528' ' ' ARG . . . . . 0.712 ' N ' ' CD ' ' A' ' 529' ' ' PRO . 10.0 tpt180 -66.57 -38.98 21.91 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.294 -178.098 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 529' ' ' PRO . . . . . 0.712 ' CD ' ' N ' ' A' ' 528' ' ' ARG . 31.9 Cg_exo -61.04 -44.81 22.38 Favored 'Trans proline' 0 C--N 1.305 -1.718 0 C-N-CA 122.983 2.455 . . . . 0.0 112.184 -178.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 530' ' ' LEU . . . . . 0.512 ' C ' ' HZ2' ' A' ' 531' ' ' LYS . 76.5 mt -70.64 -8.28 50.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.689 -179.383 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 531' ' ' LYS . . . . . 0.512 ' HZ2' ' C ' ' A' ' 530' ' ' LEU . 5.3 mtmp? 64.91 26.83 12.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.605 178.656 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 532' ' ' VAL . . . . . 0.415 ' O ' ' CG2' ' A' ' 532' ' ' VAL . 31.0 m -76.46 109.18 10.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.647 179.064 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 86.3 mtt180 -100.81 -14.4 18.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.434 -179.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -127.83 136.93 52.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.141 -179.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 535' ' ' ASN . . . . . 0.573 ' ND2' H711 ' A' ' 600' ' ' PVN . 23.3 t30 -127.75 117.26 21.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.937 0.399 . . . . 0.0 111.178 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 536' ' ' LEU . . . . . . . . . . . . . 52.7 tp -130.47 128.31 40.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.988 178.206 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 50.5 t -131.07 147.62 33.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.999 0.428 . . . . 0.0 111.19 -178.089 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 538' ' ' VAL . . . . . . . . . . . . . 18.4 m -139.69 132.17 15.08 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.057 178.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 539' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -72.83 137.32 26.84 Favored 'Trans proline' 0 C--N 1.304 -1.79 0 C-N-CA 122.734 2.289 . . . . 0.0 112.535 -175.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 540' ' ' MET . . . . . 0.514 ' SD ' ' O ' ' A' ' 573' ' ' ALA . 2.9 ttt -128.37 119.57 25.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.119 176.625 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 541' ' ' VAL . . . . . . . . . . . . . 23.4 m -124.3 154.25 31.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.029 0.443 . . . . 0.0 111.093 -176.024 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 12.9 mt -133.17 129.59 57.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.156 178.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 543' ' ' ASP . . . . . . . . . . . . . 61.5 t0 44.06 49.19 7.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.262 -178.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 544' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 61.07 41.98 13.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.362 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 545' ' ' GLN . . . . . . . . . . . . . 56.7 tp60 -147.9 133.01 18.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.498 179.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 546' ' ' LEU . . . . . . . . . . . . . 16.4 tp -73.4 129.92 39.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.536 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 547' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -110.22 -51.06 2.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.465 -178.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -171.58 -178.8 42.21 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.914 -0.875 . . . . 0.0 110.914 -178.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 549' ' ' LEU . . . . . 0.424 HD12 ' N ' ' A' ' 549' ' ' LEU . 3.5 mp -139.1 139.93 37.83 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.825 0.345 . . . . 0.0 110.545 -179.388 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 550' ' ' LEU . . . . . 0.563 ' CD1' ' N ' ' A' ' 550' ' ' LEU . 7.3 mp -93.27 124.68 37.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.317 178.58 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 551' ' ' ILE . . . . . 0.647 ' CD1' H811 ' A' ' 600' ' ' PVN . 4.7 mt -118.49 139.59 45.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.948 0.404 . . . . 0.0 110.836 -177.558 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -126.06 118.2 24.81 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.195 178.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 553' ' ' HIS . . . . . 0.508 ' CE1' ' CG2' ' A' ' 551' ' ' ILE . 47.1 m80 -111.99 129.39 56.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.825 -179.689 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 554' ' ' GLN . . . . . 0.774 ' NE2' ' H ' ' A' ' 458' ' ' ASP . 22.4 tp60 -89.95 118.01 29.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.649 174.556 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -90.56 -5.5 55.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.514 -176.594 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 556' ' ' SER . . . . . . . . . . . . . 7.5 t -96.04 -31.26 13.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.5 -178.058 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 173.72 149.34 0.23 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.337 -178.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 558' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -69.4 124.49 11.29 Favored 'Trans proline' 0 C--N 1.303 -1.819 0 C-N-CA 122.778 2.319 . . . . 0.0 112.239 178.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -118.18 140.43 49.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.329 -176.47 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 560' ' ' GLN . . . . . . . . . . . . . 65.3 tp60 -78.62 119.4 21.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.676 176.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 561' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -62.15 143.01 57.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.351 -177.536 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 74.6 mm-40 -87.66 142.06 28.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.796 177.36 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 563' ' ' GLU . . . . . . . . . . . . . 44.9 tp10 -48.48 -40.36 26.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.531 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 564' ' ' ILE . . . . . 0.64 ' CD1' ' H ' ' A' ' 564' ' ' ILE . 0.0 OUTLIER -75.15 -32.95 27.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.546 -179.81 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 46.6 mm-40 -66.62 -37.86 85.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.605 -179.325 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 566' ' ' ILE . . . . . 0.441 HG21 HD11 ' A' ' 566' ' ' ILE . 97.4 mt -67.7 -47.33 80.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.648 179.746 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -64.1 -49.03 73.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.566 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 568' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -61.69 -44.19 97.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.56 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 569' ' ' PHE . . . . . 0.445 ' CE1' ' CD1' ' A' ' 455' ' ' LEU . 39.4 t80 -66.05 -43.6 87.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.54 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 570' ' ' SER . . . . . 0.422 ' OG ' ' O ' ' A' ' 566' ' ' ILE . 26.7 m -59.61 -36.27 75.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.487 178.07 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -60.41 -39.48 87.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.461 177.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 15.5 tp -58.08 -44.7 87.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.516 178.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 573' ' ' ALA . . . . . 0.514 ' O ' ' SD ' ' A' ' 540' ' ' MET . . . -64.98 -45.13 86.95 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.489 179.691 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 574' ' ' SER . . . . . . . . . . . . . 23.0 t -57.94 -30.15 65.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.533 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 25.6 m -62.1 -44.81 95.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.611 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -49.33 -39.97 29.43 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 178.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 29.6 m -55.7 -40.24 72.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.763 0.316 . . . . 0.0 110.579 179.046 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 45.9 mt -55.22 -48.98 73.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.589 178.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 579' ' ' VAL . . . . . 0.417 ' O ' ' N ' ' A' ' 583' ' ' LEU . 88.3 t -72.96 -57.19 7.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.514 -178.733 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 580' ' ' LEU . . . . . 0.433 ' O ' ' CB ' ' A' ' 584' ' ' HIS . 9.8 mp -50.18 -47.81 54.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.565 -178.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -47.15 -70.46 0.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.651 -179.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 582' ' ' ARG . . . . . . . . . . . . . 80.0 mtp180 -66.23 -46.79 75.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.712 -179.176 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 583' ' ' LEU . . . . . 0.417 ' N ' ' O ' ' A' ' 579' ' ' VAL . 39.4 tp -55.39 -59.03 5.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.613 -179.228 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 584' ' ' HIS . . . . . 0.503 ' O ' ' NE2' ' A' ' 588' ' ' GLN . 83.1 t60 -49.29 -30.48 7.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.693 -179.343 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 585' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -76.49 -50.05 14.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.647 -179.195 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 89.5 mt -62.02 -42.04 98.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.613 -179.199 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 587' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -60.82 -48.99 79.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.593 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 588' ' ' GLN . . . . . 0.626 ' NE2' ' N ' ' A' ' 588' ' ' GLN . 0.2 OUTLIER -69.69 -45.97 67.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.679 -179.879 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 589' ' ' THR . . . . . . . . . . . . . 60.4 m -58.31 -34.44 70.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.585 -178.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 590' ' ' ILE . . . . . . . . . . . . . 11.4 mt -58.22 -43.6 86.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.593 -179.202 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -63.94 -27.87 69.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.535 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 15.1 m -70.61 -9.65 57.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.564 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 35.4 mt . . . . . 0 C--O 1.219 -0.545 0 CA-C-O 118.055 -0.974 . . . . 0.0 110.627 -179.915 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 600' ' ' PVN . . . . . 0.724 H712 H812 ' A' ' 600' ' ' PVN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 429' ' ' MET . . . . . . . . . . . . . 9.5 ptt? . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 430' ' ' ALA . . . . . . . . . . . . . . . -62.14 -32.13 72.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.581 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -71.63 130.16 40.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.518 -179.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . 0.525 ' C ' ' H ' ' A' ' 434' ' ' LEU . 0.8 OUTLIER 45.8 -151.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.592 179.732 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 433' ' ' GLN . . . . . 0.416 ' H ' HG13 ' A' ' 432' ' ' VAL . 77.1 mt-30 67.17 -44.03 0.45 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.576 179.704 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 434' ' ' LEU . . . . . 0.525 ' H ' ' C ' ' A' ' 432' ' ' VAL . 84.4 mt -54.89 -45.62 74.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.588 -179.496 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 32.3 m -64.82 -41.41 95.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.547 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 436' ' ' GLU . . . . . . . . . . . . . 21.3 tp10 -83.01 12.58 4.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.566 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 437' ' ' LEU . . . . . . . . . . . . . 14.6 tp -69.18 109.05 3.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.594 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 90.3 mtt180 -150.39 8.42 0.61 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.603 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -67.8 137.16 55.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.605 -179.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 40.1 ttp180 -61.63 -33.01 73.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.585 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 2.3 mm100 -69.88 -33.39 72.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.633 -179.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -56.33 -55.69 30.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.626 -179.117 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 20.7 pt -58.71 -32.56 46.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.687 -178.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 444' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -78.73 -50.14 11.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.654 -179.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -55.93 -24.44 37.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.684 179.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 446' ' ' THR . . . . . 0.512 ' CG2' ' HZ1' ' A' ' 450' ' ' LYS . 98.9 m -71.41 -59.72 2.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.728 -179.591 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 447' ' ' LEU . . . . . 0.417 ' H ' ' HG ' ' A' ' 447' ' ' LEU . 15.5 mt -38.84 -58.06 1.14 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.62 -179.743 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 448' ' ' VAL . . . . . . . . . . . . . 7.0 p -57.68 -36.99 56.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.642 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 449' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' A' ' 446' ' ' THR . . . -56.04 -43.19 77.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.681 179.325 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 450' ' ' LYS . . . . . 0.512 ' HZ1' ' CG2' ' A' ' 446' ' ' THR . 25.1 mttp -73.9 -37.05 64.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.598 178.336 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . -51.97 -52.7 33.82 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.212 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 452' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -60.41 -40.2 90.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.791 0.329 . . . . 0.0 110.623 -179.021 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -74.06 -38.91 63.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.597 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 39.0 mt -68.51 -56.85 6.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.533 179.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 455' ' ' LEU . . . . . . . . . . . . . 95.1 mt -70.35 -25.39 63.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.564 179.386 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . 59.66 44.06 14.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.643 -176.273 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 457' ' ' CYS . . . . . 0.569 ' SG ' ' NH1' ' A' ' 559' ' ' ARG . 68.2 m -91.47 -159.15 0.61 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.515 -179.833 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 458' ' ' ASP . . . . . 0.471 ' N ' ' NE2' ' A' ' 554' ' ' GLN . 50.7 t0 -114.26 -27.11 7.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.668 -178.398 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 459' ' ' ARG . . . . . 0.444 HH21 ' CG1' ' A' ' 478' ' ' VAL . 74.2 mtp180 -151.44 147.41 26.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.77 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 460' ' ' VAL . . . . . . . . . . . . . 18.5 t -147.94 142.46 19.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.248 179.265 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 461' ' ' ILE . . . . . . . . . . . . . 9.1 tt -137.74 141.82 37.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.84 -179.319 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 462' ' ' VAL . . . . . . . . . . . . . 23.3 t -106.51 128.98 60.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.362 179.374 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 463' ' ' TYR . . . . . 0.449 ' CD1' ' C ' ' A' ' 463' ' ' TYR . 0.2 OUTLIER -145.92 146.68 31.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.71 -178.38 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 464' ' ' ALA . . . . . . . . . . . . . . . -137.77 167.27 22.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.354 178.348 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 465' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -96.01 100.6 12.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.565 -179.15 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 466' ' ' ASP . . . . . 0.595 ' CG ' ' H ' ' A' ' 467' ' ' ASP . 32.8 t0 -73.49 -159.45 0.07 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.602 178.346 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 467' ' ' ASP . . . . . 0.595 ' H ' ' CG ' ' A' ' 466' ' ' ASP . 94.5 m-20 -92.42 14.53 16.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.484 -179.528 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 468' ' ' ASN . . . . . 0.437 ' C ' ' N ' ' A' ' 470' ' ' VAL . 0.4 OUTLIER -126.57 28.24 5.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.596 -178.649 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 469' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 46.48 18.12 0.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.634 179.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 470' ' ' VAL . . . . . 0.437 ' N ' ' C ' ' A' ' 468' ' ' ASN . 9.9 p -108.87 141.52 23.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.55 179.512 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -71.88 86.46 0.46 Allowed Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 472' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -46.38 139.04 5.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.814 0.34 . . . . 0.0 110.56 179.639 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 473' ' ' VAL . . . . . . . . . . . . . 79.6 t -85.6 91.82 3.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.536 -179.048 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 2.4 t -75.55 -68.15 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.59 178.455 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -151.14 141.7 22.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.534 178.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 476' ' ' GLU . . . . . 0.533 ' OE2' ' N ' ' A' ' 485' ' ' ALA . 79.1 tt0 -129.0 135.91 49.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.639 179.386 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 60.0 p -133.84 115.56 14.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.597 179.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 478' ' ' VAL . . . . . 0.444 ' CG1' HH21 ' A' ' 459' ' ' ARG . 5.9 m -122.85 126.87 74.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.562 -179.703 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 479' ' ' ALA . . . . . . . . . . . . . . . -57.17 166.78 1.02 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.412 179.404 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 22.2 pt-20 -61.34 144.93 53.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.616 -179.308 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 100.33 -30.97 9.08 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.836 -0.906 . . . . 0.0 110.836 177.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 482' ' ' TRP . . . . . . . . . . . . . 28.5 m95 -97.3 141.4 22.97 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 120.928 0.394 . . . . 0.0 110.619 179.345 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 483' ' ' PRO . . . . . 0.419 ' CD ' ' HZ1' ' A' ' 531' ' ' LYS . 68.8 Cg_endo -74.68 167.56 26.83 Favored 'Trans proline' 0 C--N 1.304 -1.773 0 C-N-CA 122.824 2.349 . . . . 0.0 112.089 -179.347 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -84.22 123.99 30.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.63 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 485' ' ' ALA . . . . . 0.533 ' N ' ' OE2' ' A' ' 476' ' ' GLU . . . -75.64 -8.79 57.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.568 -179.494 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 486' ' ' ARG . . . . . 0.414 ' N ' ' OE1' ' A' ' 476' ' ' GLU . 26.6 ttm180 -49.95 -34.52 20.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.514 -179.523 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 487' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -65.45 -18.94 65.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.519 179.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -108.23 114.79 28.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.545 179.246 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 489' ' ' VAL . . . . . . . . . . . . . 83.9 t -92.42 113.5 27.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.56 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 490' ' ' ILE . . . . . 0.449 HD11 H911 ' A' ' 600' ' ' PVN . 44.1 mt -45.16 103.77 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.561 179.556 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -79.63 -31.43 41.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.587 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 492' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -58.57 110.8 2.88 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.581 -179.349 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 493' ' ' PRO . . . . . 0.55 ' O ' ' N ' ' A' ' 495' ' ' PHE . 96.7 Cg_endo -85.21 -48.75 0.04 OUTLIER 'Trans proline' 0 C--N 1.306 -1.707 0 C-N-CA 122.894 2.396 . . . . 0.0 112.216 179.541 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 494' ' ' CYS . . . . . 0.544 ' SG ' ' O ' ' A' ' 493' ' ' PRO . 9.7 p 44.34 15.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.582 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 495' ' ' PHE . . . . . 0.55 ' N ' ' O ' ' A' ' 493' ' ' PRO . 47.5 t80 -74.9 -45.9 39.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.594 179.718 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 76.8 mtp180 -97.81 88.81 4.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.582 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 497' ' ' GLU . . . . . 0.521 ' OE1' H411 ' A' ' 600' ' ' PVN . 87.0 tt0 -168.51 -84.13 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.568 179.74 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 498' ' ' HIS . . . . . 0.54 ' CE1' ' OE1' ' A' ' 501' ' ' GLU . 50.3 t60 -172.23 -24.08 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.61 -179.766 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 499' ' ' TRP . . . . . 0.509 ' CE3' H511 ' A' ' 600' ' ' PVN . 57.9 t-105 -56.33 -35.01 67.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.525 -179.556 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 500' ' ' VAL . . . . . . . . . . . . . 77.5 t -51.08 -39.91 20.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.61 179.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 501' ' ' GLU . . . . . 0.54 ' OE1' ' CE1' ' A' ' 498' ' ' HIS . 87.1 tt0 -60.83 -29.09 69.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.573 179.57 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 502' ' ' ALA . . . . . . . . . . . . . . . -57.41 -49.55 75.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.545 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 503' ' ' TYR . . . . . 0.413 ' CE2' ' NE1' ' A' ' 499' ' ' TRP . 50.6 m-85 -77.2 -29.42 54.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.594 179.403 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 57.1 ttp180 -54.44 -26.28 29.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.592 -179.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 505' ' ' GLN . . . . . 0.411 ' OE1' ' NE ' ' A' ' 507' ' ' ARG . 41.3 tt0 -83.69 -8.98 59.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.585 -179.277 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . 77.57 -7.82 37.95 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 179.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 507' ' ' ARG . . . . . 0.589 ' HG2' ' H ' ' A' ' 508' ' ' ILE . 15.0 ttm180 -50.39 -179.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.778 0.323 . . . . 0.0 110.552 -179.132 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 508' ' ' ILE . . . . . 0.589 ' H ' ' HG2' ' A' ' 507' ' ' ARG . 81.0 mt -120.99 147.63 24.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.561 179.769 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 509' ' ' GLN . . . . . . . . . . . . . 61.9 tp60 -122.28 122.92 40.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.545 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 510' ' ' ALA . . . . . . . . . . . . . . . -128.15 100.68 5.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.599 179.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 511' ' ' THR . . . . . . . . . . . . . 5.1 m -111.24 104.37 12.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.608 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 512' ' ' THR . . . . . . . . . . . . . 40.1 p -50.51 -20.38 1.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.474 179.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 513' ' ' ASP . . . . . 0.503 ' N ' ' OD1' ' A' ' 513' ' ' ASP . 9.0 p30 -168.48 118.15 0.74 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.57 -179.211 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 514' ' ' ILE . . . . . . . . . . . . . 69.7 mt -71.24 -0.61 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.429 178.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 515' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -73.4 -30.19 63.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.484 -178.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 16.1 pttp -99.24 29.54 3.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.542 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -129.01 142.5 50.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.605 -177.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . 42.3 46.4 5.44 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 177.211 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 519' ' ' LEU . . . . . 0.418 ' N ' HD23 ' A' ' 519' ' ' LEU . 3.8 mt -47.48 170.4 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.793 0.33 . . . . 0.0 110.635 178.101 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 520' ' ' THR . . . . . . . . . . . . . 7.4 p 47.1 35.18 3.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.522 178.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 49.0 tt0 -146.32 161.74 39.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.496 179.32 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 522' ' ' CYS . . . . . 0.671 ' O ' ' CG ' ' A' ' 523' ' ' HIS . 0.8 OUTLIER -62.19 125.27 23.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.533 178.655 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 523' ' ' HIS . . . . . 0.671 ' CG ' ' O ' ' A' ' 522' ' ' CYS . 15.7 m170 -170.96 -80.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.665 -178.668 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 524' ' ' LEU . . . . . 0.575 ' O ' ' HB2' ' A' ' 528' ' ' ARG . 0.6 OUTLIER -47.31 -32.9 5.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.568 177.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 525' ' ' ASN . . . . . . . . . . . . . 55.6 t-20 -55.68 -43.58 76.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.654 -178.074 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 526' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -102.07 -8.3 21.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.571 -179.463 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 14.2 mt -104.34 -29.88 10.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.602 -177.352 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 528' ' ' ARG . . . . . 0.691 ' N ' ' CD ' ' A' ' 529' ' ' PRO . 0.5 OUTLIER -66.84 -41.6 38.32 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.319 -177.474 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 529' ' ' PRO . . . . . 0.691 ' CD ' ' N ' ' A' ' 528' ' ' ARG . 31.2 Cg_exo -57.4 -45.03 37.27 Favored 'Trans proline' 0 C--N 1.304 -1.79 0 C-N-CA 122.905 2.404 . . . . 0.0 112.232 -178.61 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 61.2 mt -68.41 -6.84 26.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.635 -179.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 531' ' ' LYS . . . . . 0.419 ' HZ1' ' CD ' ' A' ' 483' ' ' PRO . 9.3 mtmt 62.96 27.17 15.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.529 178.065 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 532' ' ' VAL . . . . . 0.455 ' O ' ' CG2' ' A' ' 532' ' ' VAL . 23.7 m -75.71 106.79 5.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.605 178.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -93.73 -13.51 27.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.374 -179.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -134.31 141.05 46.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.116 -179.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 535' ' ' ASN . . . . . 0.456 ' OD1' H712 ' A' ' 600' ' ' PVN . 26.7 t-20 -128.28 119.11 24.48 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.694 -0.402 . . . . 0.0 111.14 -179.658 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 536' ' ' LEU . . . . . . . . . . . . . 58.7 tp -131.58 128.02 38.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.948 177.442 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 537' ' ' VAL . . . . . 0.474 HG21 H711 ' A' ' 600' ' ' PVN . 53.2 t -129.17 148.22 33.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.99 0.424 . . . . 0.0 111.211 -177.341 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 538' ' ' VAL . . . . . . . . . . . . . 27.1 m -145.42 104.84 4.33 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.055 177.234 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 539' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -74.98 140.71 25.82 Favored 'Trans proline' 0 C--N 1.304 -1.804 0 C-N-CA 122.77 2.313 . . . . 0.0 112.462 -173.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 540' ' ' MET . . . . . . . . . . . . . 9.1 ptm -128.69 92.28 3.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.04 176.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 541' ' ' VAL . . . . . . . . . . . . . 26.3 m -82.56 154.58 3.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.091 0.472 . . . . 0.0 111.1 -177.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 542' ' ' ILE . . . . . 0.463 ' N ' ' O ' ' A' ' 545' ' ' GLN . 39.3 mm -130.03 128.48 64.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.125 179.019 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 543' ' ' ASP . . . . . 0.489 ' OD2' ' CZ ' ' A' ' 585' ' ' PHE . 84.4 m-20 50.35 49.07 21.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.284 -179.324 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 544' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 58.61 40.4 23.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.433 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 545' ' ' GLN . . . . . 0.463 ' O ' ' N ' ' A' ' 542' ' ' ILE . 50.7 tt0 -149.49 147.92 28.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.521 179.764 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 546' ' ' LEU . . . . . . . . . . . . . 12.8 mt -76.66 120.36 21.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.573 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 547' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -98.65 -63.08 1.16 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.492 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -153.66 173.8 32.32 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 549' ' ' LEU . . . . . . . . . . . . . 5.0 mp -144.29 130.26 19.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.8 0.333 . . . . 0.0 110.524 -179.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 550' ' ' LEU . . . . . 0.549 ' CD1' ' N ' ' A' ' 550' ' ' LEU . 7.9 mp -93.62 117.14 29.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.303 179.293 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 551' ' ' ILE . . . . . 0.482 ' CG2' ' CE1' ' A' ' 553' ' ' HIS . 2.8 mm -113.78 137.63 46.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.851 -178.107 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -124.38 113.92 18.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.219 178.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 553' ' ' HIS . . . . . 0.482 ' CE1' ' CG2' ' A' ' 551' ' ' ILE . 61.9 m80 -109.19 128.63 55.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.965 0.412 . . . . 0.0 110.783 -179.505 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 554' ' ' GLN . . . . . 0.549 HE22 ' C ' ' A' ' 457' ' ' CYS . 23.5 tp60 -88.71 117.22 27.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.683 175.014 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -92.24 -7.11 49.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.397 -176.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 556' ' ' SER . . . . . . . . . . . . . 82.6 p -94.16 -31.93 13.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.467 -177.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 173.68 150.76 0.24 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.456 -178.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 558' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -70.65 124.07 10.38 Favored 'Trans proline' 0 C--N 1.304 -1.781 0 C-N-CA 122.823 2.349 . . . . 0.0 112.212 179.013 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 559' ' ' ARG . . . . . 0.569 ' NH1' ' SG ' ' A' ' 457' ' ' CYS . 14.3 ptm180 -116.61 139.92 49.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.356 -176.558 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 560' ' ' GLN . . . . . 0.521 ' NE2' ' N ' ' A' ' 561' ' ' TRP . 30.0 tp60 -77.72 116.43 18.25 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.684 176.263 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 561' ' ' TRP . . . . . 0.521 ' N ' ' NE2' ' A' ' 560' ' ' GLN . 1.1 m95 -59.05 145.38 42.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.344 -177.202 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -91.64 137.86 32.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.758 177.829 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 563' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -46.4 -42.89 15.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.463 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 564' ' ' ILE . . . . . . . . . . . . . 5.0 mm -74.59 -35.24 37.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.517 179.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -67.13 -36.67 82.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.542 -179.062 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 566' ' ' ILE . . . . . . . . . . . . . 98.7 mt -69.42 -47.71 71.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.636 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -61.19 -45.46 94.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.514 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 568' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -64.89 -42.74 94.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.545 -179.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 569' ' ' PHE . . . . . . . . . . . . . 45.9 t80 -64.02 -42.94 96.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.559 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 24.5 t -60.74 -40.12 91.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.568 177.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 88.3 mt-10 -57.1 -40.4 76.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.512 177.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 13.6 tp -59.37 -45.24 91.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.496 178.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . -65.3 -45.76 83.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.46 179.581 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 574' ' ' SER . . . . . . . . . . . . . 86.2 p -62.51 -31.76 72.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.63 179.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 35.2 m -53.37 -55.69 22.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.528 -178.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -58.32 -40.08 93.54 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 -179.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.87 -36.6 65.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.736 0.303 . . . . 0.0 110.471 -179.076 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 94.2 mt -58.83 -52.89 63.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.577 -178.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 97.7 t -72.53 -46.12 56.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.525 -179.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 580' ' ' LEU . . . . . . . . . . . . . 6.0 mp -53.67 -35.63 61.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.541 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -59.47 -54.42 46.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.658 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 582' ' ' ARG . . . . . . . . . . . . . 84.1 mtm-85 -72.07 -38.51 69.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.724 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 27.7 tp -67.09 -49.29 65.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.601 -179.284 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 584' ' ' HIS . . . . . . . . . . . . . 84.2 t60 -50.04 -43.84 51.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.676 -178.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 585' ' ' PHE . . . . . 0.489 ' CZ ' ' OD2' ' A' ' 543' ' ' ASP . 17.5 m-85 -78.41 -48.76 14.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.601 -179.064 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 27.9 tp -49.54 -51.88 33.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.669 -179.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 587' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -60.34 -39.32 86.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.607 179.072 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 588' ' ' GLN . . . . . 0.412 HE21 ' CA ' ' A' ' 588' ' ' GLN . 0.2 OUTLIER -64.02 -53.19 53.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.694 -179.339 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 589' ' ' THR . . . . . . . . . . . . . 73.6 p -59.9 -28.88 67.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.633 -178.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 590' ' ' ILE . . . . . . . . . . . . . 26.9 mt -68.72 -28.53 40.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.605 -179.341 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -66.63 -30.59 70.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.541 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 71.2 m -78.33 -0.65 29.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.527 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 25.6 tp . . . . . 0 C--O 1.219 -0.514 0 CA-C-O 117.956 -1.021 . . . . 0.0 110.574 179.767 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 600' ' ' PVN . . . . . 0.521 H411 ' OE1' ' A' ' 497' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 429' ' ' MET . . . . . . . . . . . . . 65.3 mtt . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 430' ' ' ALA . . . . . . . . . . . . . . . -161.2 80.65 0.61 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.588 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -80.35 111.06 16.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.568 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . 0.436 ' O ' ' OG ' ' A' ' 435' ' ' SER . 10.3 p -100.18 -44.96 11.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.553 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -59.99 -37.79 80.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.587 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 38.1 tp -55.11 -40.54 70.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.611 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 435' ' ' SER . . . . . 0.436 ' OG ' ' O ' ' A' ' 432' ' ' VAL . 97.0 p -65.77 -31.76 72.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.525 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 436' ' ' GLU . . . . . . . . . . . . . 22.0 tp10 -75.19 3.08 9.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.54 179.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 437' ' ' LEU . . . . . . . . . . . . . 23.3 tp -72.56 124.65 25.67 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.581 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 22.3 ttm180 -172.62 -0.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.642 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -58.65 144.75 42.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.627 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -58.44 -32.0 68.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.596 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 3.3 mm100 -68.31 -32.34 72.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.657 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -61.18 -54.46 44.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.653 -179.493 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 21.3 pt -61.03 -35.13 63.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.728 -179.444 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 444' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -77.67 -50.99 11.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.73 -179.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -55.96 -23.01 29.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.735 179.178 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 446' ' ' THR . . . . . 0.407 ' O ' ' N ' ' A' ' 449' ' ' ALA . 51.5 m -72.2 -58.38 3.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.546 -179.635 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 447' ' ' LEU . . . . . 0.43 ' H ' ' HG ' ' A' ' 447' ' ' LEU . 16.5 mt -39.23 -57.62 1.32 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.609 -179.768 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 448' ' ' VAL . . . . . . . . . . . . . 6.3 p -58.01 -37.76 63.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.654 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 449' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' A' ' 446' ' ' THR . . . -56.54 -44.94 81.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.695 178.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 450' ' ' LYS . . . . . . . . . . . . . 56.0 mttm -71.09 -41.73 70.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.608 177.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . -49.25 -50.33 29.03 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.931 -0.867 . . . . 0.0 110.931 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 452' ' ' ARG . . . . . . . . . . . . . 68.5 ttp85 -56.85 -43.37 81.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.806 0.336 . . . . 0.0 110.627 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 14.6 tm-20 -75.87 -36.37 59.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.627 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 45.6 mt -68.6 -58.7 3.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.569 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 455' ' ' LEU . . . . . 0.509 ' O ' ' NH1' ' A' ' 559' ' ' ARG . 96.3 mt -70.84 -25.22 62.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.546 179.407 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . 60.43 43.46 13.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.661 -176.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 4.9 t -91.98 -159.33 0.64 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.428 -179.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 44.7 t0 -115.91 -27.95 6.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.625 -178.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 459' ' ' ARG . . . . . . . . . . . . . 6.8 ttp180 -148.9 144.43 26.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.671 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 460' ' ' VAL . . . . . . . . . . . . . 35.4 t -148.51 144.39 18.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.285 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 461' ' ' ILE . . . . . . . . . . . . . 8.3 tt -140.73 144.15 27.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.886 0.374 . . . . 0.0 110.85 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 462' ' ' VAL . . . . . . . . . . . . . 23.6 t -107.32 131.57 57.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.279 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 463' ' ' TYR . . . . . 0.535 ' CE1' ' CD1' ' A' ' 551' ' ' ILE . 1.2 p90 -146.42 144.95 30.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.772 -178.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 464' ' ' ALA . . . . . . . . . . . . . . . -135.4 164.08 28.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.411 179.22 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 465' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -99.27 101.73 13.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.524 -178.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 466' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -73.89 -158.22 0.06 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.517 178.022 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 467' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -88.85 16.86 6.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.506 -179.507 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 468' ' ' ASN . . . . . 0.419 ' C ' ' N ' ' A' ' 470' ' ' VAL . 1.2 m-20 -127.44 22.98 6.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.563 -179.067 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 469' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 48.31 18.5 0.16 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.54 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 470' ' ' VAL . . . . . 0.419 ' N ' ' C ' ' A' ' 468' ' ' ASN . 9.6 p -106.12 139.1 28.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.563 179.675 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -73.87 93.35 0.74 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 472' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -55.97 147.05 20.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.717 0.294 . . . . 0.0 110.647 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 473' ' ' VAL . . . . . . . . . . . . . 39.6 t -89.73 77.43 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.503 -179.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 2.3 t -60.15 -67.32 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.662 178.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -150.14 140.23 22.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.526 179.201 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 476' ' ' GLU . . . . . 0.573 ' OE2' ' N ' ' A' ' 485' ' ' ALA . 67.3 tt0 -128.64 136.13 50.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.598 179.715 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 11.6 t -135.44 116.76 14.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.492 179.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 478' ' ' VAL . . . . . . . . . . . . . 12.4 m -122.45 127.08 74.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.581 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 479' ' ' ALA . . . . . . . . . . . . . . . -58.3 166.79 1.54 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.534 179.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 480' ' ' GLU . . . . . 0.475 ' H ' ' CD ' ' A' ' 480' ' ' GLU . 46.8 mp0 -61.26 144.59 53.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.555 -179.238 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 100.42 -31.1 8.91 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 177.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 482' ' ' TRP . . . . . . . . . . . . . 16.3 m95 -98.78 138.99 20.77 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 120.902 0.382 . . . . 0.0 110.711 178.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 483' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -74.17 166.61 29.16 Favored 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.824 2.349 . . . . 0.0 112.04 -179.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -80.11 116.21 20.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.629 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 485' ' ' ALA . . . . . 0.573 ' N ' ' OE2' ' A' ' 476' ' ' GLU . . . -76.24 -9.96 59.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.565 -179.456 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 486' ' ' ARG . . . . . 0.554 ' N ' ' OE1' ' A' ' 476' ' ' GLU . 13.1 ptm180 -51.91 -25.16 7.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.606 -179.338 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 487' ' ' ASP . . . . . . . . . . . . . 51.1 t0 -70.63 -10.39 59.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.487 -179.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 96.2 mm-40 -106.4 113.88 27.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.604 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 489' ' ' VAL . . . . . . . . . . . . . 13.8 p -69.03 160.68 4.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.524 179.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 490' ' ' ILE . . . . . 0.418 HG23 HD12 ' A' ' 490' ' ' ILE . 25.2 mm -105.12 92.73 2.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.574 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -80.54 -31.47 37.01 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.589 -177.393 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 492' ' ' ASP . . . . . 0.432 ' OD2' H5C1 ' A' ' 600' ' ' PVN . 30.5 t0 -58.88 113.03 5.87 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.562 -179.222 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 493' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -83.83 -164.12 0.24 Allowed 'Trans proline' 0 C--N 1.305 -1.736 0 C-N-CA 122.947 2.431 . . . . 0.0 112.213 179.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 494' ' ' CYS . . . . . . . . . . . . . 49.2 t -156.7 -40.24 0.07 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.587 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 495' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -55.11 -41.9 72.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.579 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -56.06 -34.41 65.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.669 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 497' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -97.07 152.97 18.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.57 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 498' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -65.49 -17.5 64.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.637 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 499' ' ' TRP . . . . . 0.416 ' NE1' ' CE2' ' A' ' 503' ' ' TYR . 63.0 t-105 -49.72 -36.51 25.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.627 -179.768 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 500' ' ' VAL . . . . . . . . . . . . . 8.1 p -50.36 -37.02 14.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.685 179.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -66.1 -27.99 68.48 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.614 179.285 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 502' ' ' ALA . . . . . 0.407 ' O ' ' CG ' ' A' ' 505' ' ' GLN . . . -56.44 -43.87 79.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.585 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 503' ' ' TYR . . . . . 0.487 ' OH ' ' NE2' ' A' ' 509' ' ' GLN . 52.3 m-85 -79.88 -27.01 40.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.596 179.223 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 10.5 tpp180 -61.03 -17.86 54.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.653 -179.219 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 505' ' ' GLN . . . . . 0.407 ' CG ' ' O ' ' A' ' 502' ' ' ALA . 9.9 pt20 -104.24 -0.06 28.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.612 -179.254 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . 81.84 36.64 18.44 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.926 -0.869 . . . . 0.0 110.926 179.323 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 507' ' ' ARG . . . . . . . . . . . . . 24.3 ttm180 -75.84 147.82 38.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.806 0.336 . . . . 0.0 110.578 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 7.1 pt -106.5 124.76 62.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.521 179.409 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 509' ' ' GLN . . . . . 0.657 ' NE2' H611 ' A' ' 600' ' ' PVN . 18.9 tt0 -113.6 117.8 32.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.521 -179.089 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 510' ' ' ALA . . . . . . . . . . . . . . . -128.35 102.63 6.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.606 178.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 511' ' ' THR . . . . . . . . . . . . . 4.7 m -112.49 105.21 13.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.588 -179.432 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 512' ' ' THR . . . . . . . . . . . . . 42.3 p -51.72 -19.94 1.86 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.507 179.136 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 513' ' ' ASP . . . . . 0.526 ' N ' ' OD1' ' A' ' 513' ' ' ASP . 17.9 p-10 -168.65 117.43 0.7 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.502 -179.005 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 514' ' ' ILE . . . . . 0.433 HG12 H621 ' A' ' 600' ' ' PVN . 68.7 mt -69.45 0.64 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.506 179.02 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 515' ' ' PHE . . . . . 0.404 ' H ' ' C ' ' A' ' 513' ' ' ASP . 7.7 m-85 -75.79 -30.13 58.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.587 -178.335 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 17.9 pttp -97.34 28.18 3.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.576 178.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -131.72 139.33 48.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.519 -177.104 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . 46.33 48.83 15.68 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 176.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 519' ' ' LEU . . . . . 0.444 ' O ' ' OG1' ' A' ' 520' ' ' THR . 8.9 mt -58.6 159.81 6.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.785 0.326 . . . . 0.0 110.625 177.572 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 520' ' ' THR . . . . . 0.444 ' OG1' ' O ' ' A' ' 519' ' ' LEU . 5.1 p 60.89 26.99 16.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.602 179.232 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -144.84 165.6 27.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.534 179.203 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 522' ' ' CYS . . . . . 0.687 ' O ' ' CG ' ' A' ' 523' ' ' HIS . 1.6 p -58.77 122.07 12.64 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.451 178.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 523' ' ' HIS . . . . . 0.687 ' CG ' ' O ' ' A' ' 522' ' ' CYS . 11.6 m170 -173.44 -81.41 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.639 -178.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 524' ' ' LEU . . . . . 0.53 ' O ' ' N ' ' A' ' 528' ' ' ARG . 0.7 OUTLIER -50.29 -34.79 24.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.683 178.711 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 525' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -58.1 -42.97 86.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.702 -178.196 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 526' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -98.25 -8.25 27.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.59 -178.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 16.0 mt -106.01 -24.54 12.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.603 -178.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 528' ' ' ARG . . . . . 0.707 ' N ' ' CD ' ' A' ' 529' ' ' PRO . 14.4 tpt180 -66.2 -39.75 30.59 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.325 -177.745 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 529' ' ' PRO . . . . . 0.707 ' CD ' ' N ' ' A' ' 528' ' ' ARG . 34.9 Cg_exo -60.61 -45.45 21.4 Favored 'Trans proline' 0 C--N 1.305 -1.716 0 C-N-CA 122.875 2.383 . . . . 0.0 112.259 -178.22 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 530' ' ' LEU . . . . . 0.674 ' CD1' H921 ' A' ' 600' ' ' PVN . 53.2 mt -68.22 -7.01 26.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.638 -178.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 22.7 mtmt 60.6 26.76 16.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.523 178.519 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 532' ' ' VAL . . . . . 0.422 ' O ' ' CG2' ' A' ' 532' ' ' VAL . 31.1 m -75.53 109.27 8.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.602 179.203 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 533' ' ' ARG . . . . . 0.543 ' NH1' ' O ' ' A' ' 555' ' ' ALA . 70.6 mtt85 -96.04 -16.39 21.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.448 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 534' ' ' ALA . . . . . 0.408 ' O ' ' HA ' ' A' ' 553' ' ' HIS . . . -129.63 138.27 51.14 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.101 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 535' ' ' ASN . . . . . 0.759 HD22 H612 ' A' ' 600' ' ' PVN . 39.6 t30 -128.19 118.16 22.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.9 0.381 . . . . 0.0 111.247 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 536' ' ' LEU . . . . . . . . . . . . . 43.0 tp -130.86 128.08 39.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.932 177.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 537' ' ' VAL . . . . . 0.442 HG23 H711 ' A' ' 600' ' ' PVN . 59.1 t -130.5 148.21 33.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.973 0.416 . . . . 0.0 111.23 -177.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 538' ' ' VAL . . . . . . . . . . . . . 33.1 m -141.06 130.76 12.96 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.085 178.333 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 539' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -72.78 137.32 26.95 Favored 'Trans proline' 0 C--N 1.304 -1.768 0 C-N-CA 122.807 2.338 . . . . 0.0 112.483 -175.318 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 540' ' ' MET . . . . . 0.499 ' SD ' ' O ' ' A' ' 573' ' ' ALA . 4.6 ttp -126.8 118.92 25.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.103 176.729 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 541' ' ' VAL . . . . . 0.406 HG12 ' H ' ' A' ' 545' ' ' GLN . 8.6 t -122.45 143.7 34.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.023 0.44 . . . . 0.0 111.088 -176.024 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 71.7 mt -123.26 129.22 75.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.136 178.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 543' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 42.74 49.72 5.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.228 -179.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 544' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 57.75 39.82 26.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.482 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 545' ' ' GLN . . . . . 0.406 ' H ' HG12 ' A' ' 541' ' ' VAL . 58.1 tt0 -141.02 144.87 35.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.555 179.368 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 546' ' ' LEU . . . . . . . . . . . . . 34.5 tp -74.42 127.04 32.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.584 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 547' ' ' PHE . . . . . . . . . . . . . 73.9 t80 -112.68 -59.34 2.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.523 -179.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -172.61 -178.22 42.55 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 -179.233 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 549' ' ' LEU . . . . . . . . . . . . . 5.1 mp -142.17 141.27 32.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.762 0.315 . . . . 0.0 110.585 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 550' ' ' LEU . . . . . 0.535 ' CD1' ' N ' ' A' ' 550' ' ' LEU . 7.6 mp -95.05 125.96 40.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.331 179.245 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 551' ' ' ILE . . . . . 0.537 ' CG2' ' CE1' ' A' ' 553' ' ' HIS . 5.2 mt -117.53 139.81 43.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.926 0.393 . . . . 0.0 110.879 -179.256 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -124.39 114.25 19.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.192 178.386 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 553' ' ' HIS . . . . . 0.537 ' CE1' ' CG2' ' A' ' 551' ' ' ILE . 51.4 m80 -109.65 127.63 54.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.968 0.413 . . . . 0.0 110.791 179.699 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 554' ' ' GLN . . . . . 0.451 ' CD ' ' O ' ' A' ' 557' ' ' GLU . 30.2 tt0 -88.63 117.8 27.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.667 175.063 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 555' ' ' ALA . . . . . 0.543 ' O ' ' NH1' ' A' ' 533' ' ' ARG . . . -90.75 -6.32 54.56 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.514 -176.569 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 556' ' ' SER . . . . . . . . . . . . . 41.4 t -96.01 -32.59 12.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.508 -177.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 557' ' ' GLU . . . . . 0.451 ' O ' ' CD ' ' A' ' 554' ' ' GLN . 4.1 pt-20 174.62 149.71 0.25 Allowed Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.404 -178.507 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 558' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -71.49 125.7 11.48 Favored 'Trans proline' 0 C--N 1.305 -1.735 0 C-N-CA 122.748 2.299 . . . . 0.0 112.225 179.276 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 559' ' ' ARG . . . . . 0.509 ' NH1' ' O ' ' A' ' 455' ' ' LEU . 15.5 ptm180 -117.12 141.02 48.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.348 -177.008 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 560' ' ' GLN . . . . . 0.438 ' NE2' ' N ' ' A' ' 561' ' ' TRP . 35.2 tp60 -78.2 116.92 19.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.644 176.046 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 561' ' ' TRP . . . . . 0.438 ' N ' ' NE2' ' A' ' 560' ' ' GLN . 0.9 OUTLIER -59.49 144.62 46.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.367 -177.073 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.13 138.5 31.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.771 177.696 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 563' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -46.76 -41.79 15.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.516 -179.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 564' ' ' ILE . . . . . 0.43 HG23 HD11 ' A' ' 564' ' ' ILE . 6.6 mm -73.08 -34.87 46.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.5 179.819 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -66.42 -36.82 83.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.636 -179.271 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 566' ' ' ILE . . . . . 0.41 HG22 HD11 ' A' ' 566' ' ' ILE . 45.7 mm -66.54 -48.84 79.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.597 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -61.69 -46.86 87.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.543 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 568' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -63.68 -43.53 96.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.481 -179.386 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 569' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -65.87 -43.96 86.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.52 -179.628 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 34.7 m -59.54 -36.23 75.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.435 177.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 86.9 mt-10 -62.61 -39.74 94.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.481 177.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 14.3 tp -58.12 -44.95 88.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.507 178.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 573' ' ' ALA . . . . . 0.499 ' O ' ' SD ' ' A' ' 540' ' ' MET . . . -66.01 -44.24 85.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.39 179.496 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 574' ' ' SER . . . . . . . . . . . . . 23.2 t -61.87 -33.76 74.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.529 179.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 48.7 m -53.87 -54.58 36.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.544 -178.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -51.45 -36.78 39.01 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 179.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 2.5 m -58.85 -33.32 70.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.787 0.327 . . . . 0.0 110.547 179.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 31.9 mt -62.88 -54.93 31.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.623 -178.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 7.3 p -74.11 -41.08 51.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.521 -178.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 580' ' ' LEU . . . . . 0.45 ' O ' ' CB ' ' A' ' 584' ' ' HIS . 58.6 mt -57.74 -36.49 72.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.51 -179.635 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 581' ' ' GLU . . . . . 0.403 ' OE1' ' N ' ' A' ' 582' ' ' ARG . 14.3 tm-20 -59.93 -51.14 70.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.684 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 582' ' ' ARG . . . . . 0.403 ' N ' ' OE1' ' A' ' 581' ' ' GLU . 60.7 mtm180 -75.28 -36.59 61.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.644 -179.522 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 24.3 tp -72.34 -53.04 13.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.625 -179.151 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 584' ' ' HIS . . . . . 0.558 ' O ' ' NE2' ' A' ' 588' ' ' GLN . 83.4 t60 -49.59 -39.36 35.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.668 -179.268 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 585' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -79.6 -50.07 11.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.587 -179.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 35.1 tp -53.13 -49.38 66.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.653 -179.185 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 587' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -60.43 -43.22 96.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.678 179.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 588' ' ' GLN . . . . . 0.643 ' NE2' ' N ' ' A' ' 588' ' ' GLN . 0.0 OUTLIER -67.63 -50.16 59.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.647 -179.056 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 589' ' ' THR . . . . . . . . . . . . . 66.2 p -59.66 -30.16 68.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.652 -178.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 590' ' ' ILE . . . . . . . . . . . . . 15.0 mt -64.95 -33.5 64.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.586 -179.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -63.66 -30.58 71.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.566 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 57.2 p -74.13 -7.41 52.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.528 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 39.6 mt . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 118.019 -0.991 . . . . 0.0 110.542 -179.849 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 600' ' ' PVN . . . . . 0.759 H612 HD22 ' A' ' 535' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 59.3 t0 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.836 0.351 . . . . 0.0 110.558 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 65.8 ttt180 -55.67 -30.71 61.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.561 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 42.6 mm-40 -70.31 -31.99 69.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.694 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -56.63 -55.18 37.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.595 -179.424 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 20.7 pt -59.75 -32.32 49.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.663 -179.04 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 444' ' ' PHE . . . . . 0.457 ' CD1' HG11 ' A' ' 474' ' ' VAL . 7.7 m-85 -78.22 -50.34 12.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.658 -179.564 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -55.77 -23.2 28.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.64 179.563 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 446' ' ' THR . . . . . 0.485 ' O ' ' HB3' ' A' ' 449' ' ' ALA . 74.2 m -73.17 -58.92 2.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.68 -179.47 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 447' ' ' LEU . . . . . 0.461 ' H ' ' HG ' ' A' ' 447' ' ' LEU . 16.9 mt -39.81 -57.61 1.53 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.694 -179.291 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 448' ' ' VAL . . . . . 0.417 HG13 ' N ' ' A' ' 449' ' ' ALA . 7.5 p -57.68 -38.44 64.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.648 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 449' ' ' ALA . . . . . 0.485 ' HB3' ' O ' ' A' ' 446' ' ' THR . . . -56.11 -44.69 79.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.687 178.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 450' ' ' LYS . . . . . . . . . . . . . 49.0 mttm -71.92 -40.9 68.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.603 178.586 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . -49.2 -50.29 28.85 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 452' ' ' ARG . . . . . . . . . . . . . 66.0 ttp85 -57.51 -42.97 83.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.784 0.326 . . . . 0.0 110.631 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 39.9 tp10 -75.74 -36.49 59.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.633 -179.644 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 44.2 mt -68.92 -58.97 3.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.65 -179.692 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 455' ' ' LEU . . . . . 0.554 HD11 ' CD1' ' A' ' 569' ' ' PHE . 96.4 mt -70.02 -25.43 63.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.54 179.485 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . 60.88 42.35 13.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.648 -176.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 457' ' ' CYS . . . . . 0.549 ' SG ' ' NH1' ' A' ' 559' ' ' ARG . 97.0 m -91.29 -159.16 0.61 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.542 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 458' ' ' ASP . . . . . 0.445 ' OD2' ' OG ' ' A' ' 556' ' ' SER . 64.3 m-20 -116.01 -27.47 6.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.638 -178.569 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 459' ' ' ARG . . . . . 0.42 ' O ' ' O ' ' A' ' 553' ' ' HIS . 6.8 ttp180 -148.54 142.4 25.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.771 179.776 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 460' ' ' VAL . . . . . . . . . . . . . 60.7 t -147.91 144.48 19.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.334 -179.48 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 461' ' ' ILE . . . . . . . . . . . . . 13.5 pt -142.39 150.27 18.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.867 0.365 . . . . 0.0 110.849 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 462' ' ' VAL . . . . . . . . . . . . . 47.8 t -110.5 133.11 57.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.35 179.194 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 463' ' ' TYR . . . . . 0.889 ' CE1' HD11 ' A' ' 551' ' ' ILE . 0.9 OUTLIER -146.23 143.52 29.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.753 -178.976 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 464' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 472' ' ' THR . . . -135.73 164.81 27.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.388 178.633 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 465' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -104.3 103.69 13.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.611 -179.224 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 466' ' ' ASP . . . . . 0.566 ' CG ' ' H ' ' A' ' 467' ' ' ASP . 31.5 t0 -72.25 -156.96 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.598 178.808 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 467' ' ' ASP . . . . . 0.566 ' H ' ' CG ' ' A' ' 466' ' ' ASP . 84.4 m-20 -85.19 18.03 2.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.529 -179.756 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 468' ' ' ASN . . . . . . . . . . . . . 10.0 m-20 -127.25 7.67 6.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.605 -178.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 469' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 61.42 18.1 9.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.562 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 470' ' ' VAL . . . . . . . . . . . . . 89.7 t -103.4 137.96 29.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.613 179.755 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -62.23 97.72 0.17 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.608 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 472' ' ' THR . . . . . 0.449 ' N ' ' O ' ' A' ' 464' ' ' ALA . 50.8 m -56.62 132.43 51.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.791 0.329 . . . . 0.0 110.673 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 473' ' ' VAL . . . . . 0.441 HG22 ' H ' ' A' ' 473' ' ' VAL . 5.1 m -79.54 70.7 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.565 -179.76 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 474' ' ' VAL . . . . . 0.457 HG11 ' CD1' ' A' ' 444' ' ' PHE . 2.4 t -59.53 -66.78 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.632 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -154.56 146.01 23.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.585 179.27 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 476' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -124.91 131.76 53.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.605 179.435 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 12.2 t -133.06 115.33 14.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.529 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 478' ' ' VAL . . . . . 0.471 ' O ' HG23 ' A' ' 478' ' ' VAL . 8.9 m -125.07 128.94 73.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.638 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 479' ' ' ALA . . . . . . . . . . . . . . . -57.28 166.64 1.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.551 179.601 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -60.89 143.2 55.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.518 -179.249 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 100.85 -29.94 11.38 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.921 -0.871 . . . . 0.0 110.921 178.009 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 482' ' ' TRP . . . . . . . . . . . . . 10.4 m95 -100.88 142.33 24.41 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 120.877 0.37 . . . . 0.0 110.669 178.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 483' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -74.06 166.0 30.67 Favored 'Trans proline' 0 C--N 1.304 -1.807 0 C-N-CA 122.856 2.371 . . . . 0.0 112.078 -179.478 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -78.86 118.64 21.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.627 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -76.56 -9.94 59.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.496 -179.056 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 486' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -53.36 -23.86 10.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.581 -179.058 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 487' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -71.36 -10.25 59.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.542 -179.303 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 488' ' ' GLN . . . . . 0.591 ' OE1' HD21 ' A' ' 530' ' ' LEU . 75.4 mt-30 -108.59 115.23 29.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.526 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 489' ' ' VAL . . . . . . . . . . . . . 61.9 t -92.32 112.82 26.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.529 179.254 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 65.0 mt -46.32 105.02 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.544 -179.432 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -79.42 -33.66 42.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.561 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 492' ' ' ASP . . . . . . . . . . . . . 39.5 t0 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.591 -179.65 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 . . . . . 0 N--CA 1.458 -0.065 0 CA-C-O 120.815 0.34 . . . . 0.0 110.573 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 49.9 ttt85 -60.65 -17.8 49.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.544 -179.148 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -107.24 -0.68 22.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.582 -178.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . 81.92 37.75 15.3 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.941 -0.863 . . . . 0.0 110.941 179.161 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 507' ' ' ARG . . . . . . . . . . . . . 24.2 ttm180 -72.17 146.03 47.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.815 0.341 . . . . 0.0 110.59 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 69.3 mt -108.1 124.83 64.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.497 179.144 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 509' ' ' GLN . . . . . . . . . . . . . 49.1 tp60 -114.39 119.8 38.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.561 -178.796 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 510' ' ' ALA . . . . . 0.814 ' HB1' ' CD1' ' A' ' 561' ' ' TRP . . . -128.93 101.45 6.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.664 178.376 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 511' ' ' THR . . . . . . . . . . . . . 4.4 m -111.18 105.12 13.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.581 -179.595 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 512' ' ' THR . . . . . . . . . . . . . 41.4 p -52.41 -20.28 2.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.508 179.41 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 513' ' ' ASP . . . . . 0.423 ' OD1' ' O ' ' A' ' 513' ' ' ASP . 12.1 p30 -169.0 116.86 0.65 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.48 -178.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 514' ' ' ILE . . . . . 0.609 HG22 ' O ' ' A' ' 514' ' ' ILE . 84.6 mt -68.06 -0.38 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.552 179.045 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 515' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -74.8 -30.77 61.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.529 -179.151 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 85.0 mttt -95.2 28.42 2.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.562 179.144 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -133.85 139.63 46.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.479 -177.035 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . 46.53 48.86 16.6 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 176.601 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 519' ' ' LEU . . . . . 0.42 ' O ' ' OG1' ' A' ' 520' ' ' THR . 7.5 mt -59.96 159.83 8.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.814 0.34 . . . . 0.0 110.627 177.473 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 520' ' ' THR . . . . . 0.42 ' OG1' ' O ' ' A' ' 519' ' ' LEU . 5.6 p 60.58 26.66 16.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.562 179.197 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -144.91 165.9 26.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.468 179.189 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 522' ' ' CYS . . . . . 0.707 ' O ' ' CG ' ' A' ' 523' ' ' HIS . 0.8 OUTLIER -59.23 120.39 9.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.494 178.968 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 523' ' ' HIS . . . . . 0.707 ' CG ' ' O ' ' A' ' 522' ' ' CYS . 16.1 m170 -172.81 -81.22 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.665 -178.3 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 524' ' ' LEU . . . . . 0.576 ' O ' ' HB2' ' A' ' 528' ' ' ARG . 0.8 OUTLIER -50.51 -37.45 39.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.777 178.731 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 525' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 -57.15 -43.25 82.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.676 -177.004 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 526' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -96.46 -7.78 33.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.541 -178.149 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 527' ' ' LEU . . . . . 0.52 HD13 HG21 ' A' ' 514' ' ' ILE . 14.3 mt -105.09 -19.22 13.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.58 -178.331 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 528' ' ' ARG . . . . . 0.619 ' N ' ' CD ' ' A' ' 529' ' ' PRO . 0.6 OUTLIER -66.75 -46.11 55.95 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.301 -178.583 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 529' ' ' PRO . . . . . 0.619 ' CD ' ' N ' ' A' ' 528' ' ' ARG . 45.7 Cg_exo -53.99 -47.08 29.04 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.821 2.348 . . . . 0.0 112.193 -176.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 530' ' ' LEU . . . . . 0.591 HD21 ' OE1' ' A' ' 488' ' ' GLN . 87.6 mt -67.47 -7.88 29.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.673 -178.067 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 28.7 mtmt 60.84 27.44 17.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.538 178.505 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 532' ' ' VAL . . . . . 0.683 ' O ' HG23 ' A' ' 532' ' ' VAL . 25.7 m -75.82 108.78 8.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.633 179.209 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -94.93 -16.45 22.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.371 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 534' ' ' ALA . . . . . 0.65 ' HB2' ' HA ' ' A' ' 558' ' ' PRO . . . -130.93 139.18 50.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.106 -179.668 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -128.13 119.55 25.53 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.675 -0.41 . . . . 0.0 111.17 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 536' ' ' LEU . . . . . . . . . . . . . 58.8 tp -133.11 128.31 35.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.89 177.566 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 537' ' ' VAL . . . . . 0.427 HG22 HG23 ' A' ' 551' ' ' ILE . 58.6 t -130.05 147.67 33.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.059 0.457 . . . . 0.0 111.111 -177.775 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 538' ' ' VAL . . . . . . . . . . . . . 28.8 m -140.25 132.21 14.47 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.064 178.373 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 539' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -71.97 134.66 23.9 Favored 'Trans proline' 0 C--N 1.304 -1.801 0 C-N-CA 122.756 2.304 . . . . 0.0 112.5 -175.215 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 540' ' ' MET . . . . . 0.53 ' SD ' ' O ' ' A' ' 573' ' ' ALA . 7.8 ttt -130.15 117.08 19.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.105 176.664 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 541' ' ' VAL . . . . . . . . . . . . . 23.3 m . . . . . 0 C--N 1.329 -0.315 0 CA-C-O 120.962 0.41 . . . . 0.0 111.142 -175.973 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 546' ' ' LEU . . . . . 0.402 HD12 ' HA ' ' A' ' 546' ' ' LEU . 25.3 tp . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.774 0.321 . . . . 0.0 110.579 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 547' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -113.9 -53.49 2.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.56 -179.666 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 548' ' ' GLY . . . . . 0.448 ' C ' HD12 ' A' ' 549' ' ' LEU . . . -173.52 -178.03 43.18 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.152 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 549' ' ' LEU . . . . . 0.466 ' C ' HD12 ' A' ' 550' ' ' LEU . 4.9 mp -142.69 142.57 32.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.892 0.377 . . . . 0.0 110.548 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 550' ' ' LEU . . . . . 0.605 HD12 ' N ' ' A' ' 550' ' ' LEU . 7.7 mp -95.33 126.35 40.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.283 179.542 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 551' ' ' ILE . . . . . 0.889 HD11 ' CE1' ' A' ' 463' ' ' TYR . 4.5 mt -118.66 140.89 40.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.869 -179.144 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -124.53 114.08 18.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.229 178.148 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 553' ' ' HIS . . . . . 0.535 ' CE1' ' CG2' ' A' ' 551' ' ' ILE . 54.5 m80 -109.71 129.18 55.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.804 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 554' ' ' GLN . . . . . 0.59 ' H ' ' HB3' ' A' ' 534' ' ' ALA . 39.3 tt0 -91.88 117.11 29.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.668 174.54 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -91.25 -3.78 56.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.483 -175.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 556' ' ' SER . . . . . 0.445 ' OG ' ' OD2' ' A' ' 458' ' ' ASP . 1.5 m -97.86 -30.96 12.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.568 -178.39 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 557' ' ' GLU . . . . . 0.446 ' O ' ' CD ' ' A' ' 554' ' ' GLN . 4.7 pt-20 174.63 150.25 0.26 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.366 -178.564 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 558' ' ' PRO . . . . . 0.65 ' HA ' ' HB2' ' A' ' 534' ' ' ALA . 57.2 Cg_endo -72.5 125.84 11.02 Favored 'Trans proline' 0 C--N 1.305 -1.749 0 C-N-CA 122.785 2.323 . . . . 0.0 112.278 178.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 559' ' ' ARG . . . . . 0.549 ' NH1' ' SG ' ' A' ' 457' ' ' CYS . 16.8 ptm180 -116.22 140.77 48.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.325 -177.159 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 560' ' ' GLN . . . . . . . . . . . . . 43.2 tp60 -78.57 117.08 19.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.605 176.245 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 561' ' ' TRP . . . . . 0.814 ' CD1' ' HB1' ' A' ' 510' ' ' ALA . 1.0 OUTLIER -59.74 147.75 36.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.341 -177.068 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -94.07 139.27 31.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.801 177.816 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 563' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -47.8 -42.89 27.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.536 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 564' ' ' ILE . . . . . . . . . . . . . 5.8 mm -74.55 -35.56 38.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.529 179.564 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 88.2 mt-10 -66.03 -35.87 81.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.579 -178.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 566' ' ' ILE . . . . . . . . . . . . . 96.6 mt -67.67 -48.31 76.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.597 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 58.2 t0 -61.16 -46.23 91.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.588 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 568' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -62.18 -44.12 97.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.526 -179.51 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 569' ' ' PHE . . . . . 0.554 ' CD1' HD11 ' A' ' 455' ' ' LEU . 38.9 t80 -65.65 -42.32 91.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.502 -179.76 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 91.3 p -60.45 -32.89 71.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.556 177.588 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 62.4 mm-40 -66.02 -40.25 90.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.498 177.771 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 14.7 tp -57.87 -43.77 86.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.485 178.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 573' ' ' ALA . . . . . 0.53 ' O ' ' SD ' ' A' ' 540' ' ' MET . . . -66.7 -45.21 79.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.446 179.481 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 574' ' ' SER . . . . . . . . . . . . . 28.5 m -58.54 -32.1 68.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.538 179.557 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 24.0 m -61.74 -46.19 90.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.591 -179.557 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -48.09 -38.13 17.66 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 179.129 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 19.4 m -58.51 -38.62 78.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.794 0.33 . . . . 0.0 110.516 178.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 57.5 mt -55.66 -50.64 69.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.594 178.75 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 86.4 t -68.89 -52.67 32.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.545 -178.83 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 580' ' ' LEU . . . . . 0.493 ' O ' ' N ' ' A' ' 584' ' ' HIS . 95.6 mt -54.13 -43.5 70.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.491 -179.169 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -55.52 -40.53 71.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.706 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 582' ' ' ARG . . . . . . . . . . . . . 68.4 mtm180 -74.3 -50.98 16.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.665 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 583' ' ' LEU . . . . . 0.47 ' N ' HD12 ' A' ' 583' ' ' LEU . 10.8 mp -68.37 -52.68 30.43 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.652 -179.37 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 584' ' ' HIS . . . . . 0.493 ' N ' ' O ' ' A' ' 580' ' ' LEU . 83.4 t60 -46.87 -38.65 10.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.654 -179.08 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 585' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -81.96 -52.82 6.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.574 -179.245 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 39.7 mt -61.34 -44.71 96.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.712 -178.494 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 587' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -59.07 -46.86 87.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.618 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 588' ' ' GLN . . . . . 0.517 ' OE1' ' N ' ' A' ' 588' ' ' GLN . 4.1 mp0 -68.29 -46.9 69.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.733 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 589' ' ' THR . . . . . . . . . . . . . 53.1 m -58.44 -34.58 70.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.645 -178.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 590' ' ' ILE . . . . . . . . . . . . . 12.4 mt . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.537 -179.185 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 439' ' ' ASP . . . . . 0.491 ' CG ' ' H ' ' A' ' 440' ' ' ARG . 42.3 t0 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.726 0.298 . . . . 0.0 110.654 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 440' ' ' ARG . . . . . 0.491 ' H ' ' CG ' ' A' ' 439' ' ' ASP . 46.3 ttp180 -54.86 -32.65 60.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.562 -179.823 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 40.4 mm-40 -69.83 -34.5 73.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.692 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -56.77 -55.22 37.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.656 -179.389 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 23.7 pt -59.21 -30.73 44.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.628 -178.684 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 444' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -79.58 -50.4 10.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.698 -179.541 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -55.94 -24.23 36.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.683 179.756 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 446' ' ' THR . . . . . 0.482 ' O ' ' HB3' ' A' ' 449' ' ' ALA . 91.1 m -72.86 -59.26 2.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.658 -179.224 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 447' ' ' LEU . . . . . 0.461 ' H ' ' HG ' ' A' ' 447' ' ' LEU . 16.4 mt -38.65 -56.59 1.3 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.568 -179.61 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 448' ' ' VAL . . . . . . . . . . . . . 4.4 p -58.09 -37.56 62.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.666 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 449' ' ' ALA . . . . . 0.482 ' HB3' ' O ' ' A' ' 446' ' ' THR . . . -57.28 -46.18 83.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.608 179.357 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 450' ' ' LYS . . . . . . . . . . . . . 50.1 mttm -70.96 -42.62 69.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.644 179.103 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . -48.34 -48.61 27.01 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 452' ' ' ARG . . . . . . . . . . . . . 70.4 ttp85 -57.75 -43.71 85.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.79 0.329 . . . . 0.0 110.607 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -74.63 -38.05 62.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.63 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 37.8 mt -67.59 -58.04 5.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.643 -179.576 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 455' ' ' LEU . . . . . 0.588 HD11 ' CD1' ' A' ' 569' ' ' PHE . 94.5 mt -70.19 -25.44 63.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.555 179.266 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . 61.06 42.72 12.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.637 -177.092 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 457' ' ' CYS . . . . . 0.59 ' SG ' ' NH1' ' A' ' 559' ' ' ARG . 98.7 m -91.47 -158.91 0.6 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.463 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -118.04 -27.15 6.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.631 -178.413 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 459' ' ' ARG . . . . . 0.627 HH11 HG12 ' A' ' 478' ' ' VAL . 12.7 ttp85 -147.99 142.24 26.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.768 179.778 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 460' ' ' VAL . . . . . . . . . . . . . 86.6 t -149.0 145.54 17.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.335 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 461' ' ' ILE . . . . . . . . . . . . . 13.1 pt -143.31 150.87 17.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.919 0.39 . . . . 0.0 110.792 -179.575 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 462' ' ' VAL . . . . . . . . . . . . . 55.9 t -109.93 131.07 61.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.366 177.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 463' ' ' TYR . . . . . 0.656 ' CD1' HD11 ' A' ' 551' ' ' ILE . 0.0 OUTLIER -144.5 144.61 31.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.638 -177.435 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 464' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 472' ' ' THR . . . -139.54 167.17 22.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.325 177.412 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 465' ' ' PHE . . . . . 0.524 ' O ' ' CD2' ' A' ' 465' ' ' PHE . 19.2 p90 -102.62 105.69 16.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.577 -179.292 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 466' ' ' ASP . . . . . 0.545 ' CG ' ' H ' ' A' ' 467' ' ' ASP . 31.3 t0 -71.58 -159.81 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.544 178.76 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 467' ' ' ASP . . . . . 0.545 ' H ' ' CG ' ' A' ' 466' ' ' ASP . 87.4 m-20 -89.19 15.33 9.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.579 -179.77 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 468' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -125.96 13.07 7.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.643 -179.178 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 469' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 59.6 17.31 6.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.546 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 470' ' ' VAL . . . . . . . . . . . . . 75.2 t -102.02 135.66 37.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.584 179.48 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -57.17 99.7 0.1 Allowed Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 472' ' ' THR . . . . . 0.443 ' N ' ' O ' ' A' ' 464' ' ' ALA . 20.3 m -55.4 132.18 47.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.827 0.346 . . . . 0.0 110.582 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 473' ' ' VAL . . . . . . . . . . . . . 42.5 t -86.8 77.93 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.544 -179.604 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 474' ' ' VAL . . . . . 0.45 HG23 ' H ' ' A' ' 474' ' ' VAL . 1.6 t -68.87 -68.33 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.671 179.698 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -153.33 144.55 23.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.536 179.12 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 476' ' ' GLU . . . . . 0.455 ' OE2' ' HB3' ' A' ' 485' ' ' ALA . 2.3 tp10 -125.08 131.68 53.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.595 179.186 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 10.0 t -132.73 115.51 15.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.512 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 478' ' ' VAL . . . . . 0.627 HG12 HH11 ' A' ' 459' ' ' ARG . 4.3 m -124.79 128.43 73.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.573 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 479' ' ' ALA . . . . . . . . . . . . . . . -57.07 166.98 0.92 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.513 179.364 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -60.73 142.89 55.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.573 -179.375 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 100.86 -29.7 11.9 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 177.746 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 482' ' ' TRP . . . . . . . . . . . . . 11.7 m95 -100.39 144.61 28.79 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 120.944 0.402 . . . . 0.0 110.664 178.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 483' ' ' PRO . . . . . 0.41 ' CD ' ' NZ ' ' A' ' 531' ' ' LYS . 63.9 Cg_endo -74.4 166.59 29.1 Favored 'Trans proline' 0 C--N 1.304 -1.767 0 C-N-CA 122.779 2.319 . . . . 0.0 112.039 -179.524 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -78.89 118.72 21.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.568 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 485' ' ' ALA . . . . . 0.455 ' HB3' ' OE2' ' A' ' 476' ' ' GLU . . . -75.64 -10.77 59.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.533 -179.303 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 486' ' ' ARG . . . . . . . . . . . . . 57.4 ttt180 -53.02 -33.02 49.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.561 -179.578 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 487' ' ' ASP . . . . . . . . . . . . . 55.6 t0 -68.3 -14.16 62.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.507 -179.544 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 488' ' ' GLN . . . . . 0.406 ' OE1' HD21 ' A' ' 530' ' ' LEU . 75.9 mt-30 -106.32 116.47 31.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.497 179.753 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 489' ' ' VAL . . . . . . . . . . . . . 91.1 t -99.54 117.58 44.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.443 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 11.3 mm -48.67 110.22 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.602 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -78.91 -27.91 43.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.554 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 492' ' ' ASP . . . . . . . . . . . . . 17.7 t0 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.523 -179.864 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 503' ' ' TYR . . . . . 0.525 ' CD1' ' CD2' ' A' ' 549' ' ' LEU . 86.0 m-85 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.851 0.358 . . . . 0.0 110.562 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 68.6 ttt180 -62.13 -15.91 48.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.639 -179.157 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 15.3 pt20 -107.14 -1.43 21.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.673 -178.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . 84.67 37.47 10.49 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.27 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 507' ' ' ARG . . . . . . . . . . . . . 72.4 ttt180 -73.95 145.47 44.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.809 0.338 . . . . 0.0 110.513 179.607 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 66.1 mt -106.84 123.65 62.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.575 179.399 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 509' ' ' GLN . . . . . . . . . . . . . 61.4 tp60 -113.28 118.5 34.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.546 -179.119 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 510' ' ' ALA . . . . . 0.847 ' HB1' ' CD1' ' A' ' 561' ' ' TRP . . . -128.17 101.11 6.12 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.62 178.288 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 511' ' ' THR . . . . . . . . . . . . . 4.7 m -110.46 103.2 11.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.542 -179.613 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 512' ' ' THR . . . . . . . . . . . . . 6.8 m -51.0 -19.64 1.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.533 179.704 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 513' ' ' ASP . . . . . 0.541 ' OD1' ' NZ ' ' A' ' 516' ' ' LYS . 8.3 p30 -169.29 118.2 0.66 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.51 -179.419 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 514' ' ' ILE . . . . . 0.606 HG22 ' O ' ' A' ' 514' ' ' ILE . 79.7 mt -70.54 -0.11 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.566 178.845 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 515' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -74.98 -31.16 61.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.552 -178.395 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 516' ' ' LYS . . . . . 0.541 ' NZ ' ' OD1' ' A' ' 513' ' ' ASP . 10.8 pttm -97.23 29.08 3.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.559 179.326 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -131.67 142.36 49.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.532 -177.205 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . 43.41 47.46 6.99 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 176.729 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 519' ' ' LEU . . . . . . . . . . . . . 10.3 mt -54.76 167.12 0.4 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.722 0.296 . . . . 0.0 110.615 177.227 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 520' ' ' THR . . . . . . . . . . . . . 2.1 m 52.76 30.99 9.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.563 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 521' ' ' GLU . . . . . 0.406 ' HG2' ' N ' ' A' ' 522' ' ' CYS . 63.2 tt0 -146.2 163.0 36.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.489 179.459 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 522' ' ' CYS . . . . . 0.677 ' O ' ' CG ' ' A' ' 523' ' ' HIS . 0.9 OUTLIER -60.3 123.53 17.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.541 178.716 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 523' ' ' HIS . . . . . 0.677 ' CG ' ' O ' ' A' ' 522' ' ' CYS . 13.3 m170 -172.21 -80.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.68 -178.591 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 524' ' ' LEU . . . . . 0.638 ' O ' ' HB2' ' A' ' 528' ' ' ARG . 0.7 OUTLIER -48.9 -34.34 12.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.75 178.412 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 525' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -56.7 -40.99 76.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.702 -178.256 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 526' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -101.97 -7.94 21.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.539 -179.151 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 527' ' ' LEU . . . . . 0.644 ' O ' HG22 ' A' ' 532' ' ' VAL . 15.0 mt -106.62 -28.33 10.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.53 -177.32 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 528' ' ' ARG . . . . . 0.694 ' N ' ' CD ' ' A' ' 529' ' ' PRO . 0.0 OUTLIER -66.93 -41.12 34.43 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.316 -177.791 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 529' ' ' PRO . . . . . 0.694 ' CD ' ' N ' ' A' ' 528' ' ' ARG . 31.2 Cg_exo -58.0 -44.96 35.25 Favored 'Trans proline' 0 C--N 1.306 -1.71 0 C-N-CA 123.0 2.466 . . . . 0.0 112.161 -178.792 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 530' ' ' LEU . . . . . 0.526 ' HB2' HG13 ' A' ' 532' ' ' VAL . 80.1 mt -68.18 -4.97 15.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.615 -179.754 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 531' ' ' LYS . . . . . 0.41 ' NZ ' ' CD ' ' A' ' 483' ' ' PRO . 26.6 mtmt 60.83 26.84 16.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.508 178.397 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 532' ' ' VAL . . . . . 0.697 ' O ' HG23 ' A' ' 532' ' ' VAL . 27.0 m -75.53 107.74 6.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.615 178.835 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 80.9 mtp180 -94.12 -14.9 25.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.365 -179.699 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 534' ' ' ALA . . . . . 0.67 ' HB2' ' HA ' ' A' ' 558' ' ' PRO . . . -133.81 141.51 47.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.152 -179.689 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -128.95 120.32 25.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.922 0.391 . . . . 0.0 111.163 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 536' ' ' LEU . . . . . 0.402 ' HB2' ' CZ3' ' A' ' 561' ' ' TRP . 63.2 tp -131.75 127.92 37.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.949 -0.568 . . . . 0.0 109.939 177.683 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 68.8 t -130.86 147.55 33.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.954 0.407 . . . . 0.0 111.213 -178.161 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 538' ' ' VAL . . . . . . . . . . . . . 31.0 m -140.07 133.71 15.35 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.069 178.634 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 539' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -72.34 135.38 24.49 Favored 'Trans proline' 0 C--N 1.304 -1.781 0 C-N-CA 122.752 2.301 . . . . 0.0 112.455 -175.726 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 540' ' ' MET . . . . . 0.516 ' SD ' ' O ' ' A' ' 573' ' ' ALA . 4.6 ttp -127.9 119.77 26.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.109 177.014 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 541' ' ' VAL . . . . . . . . . . . . . 18.6 m . . . . . 0 C--N 1.329 -0.325 0 CA-C-O 121.029 0.442 . . . . 0.0 111.076 -176.68 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 546' ' ' LEU . . . . . 0.423 HD23 ' CZ ' ' A' ' 465' ' ' PHE . 15.6 tp . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.817 0.341 . . . . 0.0 110.574 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 547' ' ' PHE . . . . . . . . . . . . . 60.5 t80 -112.4 -45.83 3.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.504 -178.441 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -172.62 -179.65 43.54 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.838 -0.905 . . . . 0.0 110.838 -178.654 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 549' ' ' LEU . . . . . 0.525 ' CD2' ' CD1' ' A' ' 503' ' ' TYR . 2.6 mp -138.43 143.01 39.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.868 0.366 . . . . 0.0 110.543 -179.287 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -92.47 121.26 33.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.346 178.38 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 551' ' ' ILE . . . . . 0.656 HD11 ' CD1' ' A' ' 463' ' ' TYR . 3.7 mt -112.72 135.15 53.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.911 -178.542 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -124.75 115.12 20.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.216 178.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 553' ' ' HIS . . . . . 0.539 ' CE1' ' CG2' ' A' ' 551' ' ' ILE . 42.3 m80 -110.52 129.21 55.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.791 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 554' ' ' GLN . . . . . 0.524 ' H ' ' HB3' ' A' ' 534' ' ' ALA . 43.5 tt0 -90.24 113.61 25.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.683 174.327 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -87.74 -5.2 58.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.44 -175.716 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 556' ' ' SER . . . . . . . . . . . . . 9.1 t -95.56 -31.61 13.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.522 -177.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 557' ' ' GLU . . . . . 0.452 ' O ' ' CD ' ' A' ' 554' ' ' GLN . 4.1 pt-20 174.3 151.17 0.26 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.33 -178.655 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 558' ' ' PRO . . . . . 0.67 ' HA ' ' HB2' ' A' ' 534' ' ' ALA . 55.9 Cg_endo -72.37 125.53 10.82 Favored 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 122.762 2.308 . . . . 0.0 112.212 178.749 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 559' ' ' ARG . . . . . 0.59 ' NH1' ' SG ' ' A' ' 457' ' ' CYS . 16.8 ptm180 -116.84 140.28 49.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.348 -177.287 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 560' ' ' GLN . . . . . . . . . . . . . 38.9 tp60 -77.51 116.45 18.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.626 176.066 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 561' ' ' TRP . . . . . 0.847 ' CD1' ' HB1' ' A' ' 510' ' ' ALA . 1.1 m95 -57.83 148.27 25.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.379 -176.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -95.61 139.06 32.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.843 178.119 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 563' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -46.94 -43.63 19.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.526 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 564' ' ' ILE . . . . . 0.478 HG22 ' NE2' ' A' ' 568' ' ' GLN . 1.1 mt -74.73 -35.04 35.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.56 -179.801 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -66.45 -36.1 81.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.564 -179.079 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 566' ' ' ILE . . . . . 0.403 HD11 ' HB2' ' A' ' 561' ' ' TRP . 96.8 mt -68.14 -49.24 69.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.56 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -62.29 -47.43 84.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.635 -179.545 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 568' ' ' GLN . . . . . 0.478 ' NE2' HG22 ' A' ' 564' ' ' ILE . 89.1 mt-30 -63.05 -44.32 96.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.541 -179.219 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 569' ' ' PHE . . . . . 0.588 ' CD1' HD11 ' A' ' 455' ' ' LEU . 54.4 t80 -63.13 -42.0 99.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.518 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 22.5 t -60.45 -39.37 87.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.44 178.236 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -58.1 -40.5 81.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.455 178.066 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 14.9 tp -58.16 -45.13 87.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.467 178.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 573' ' ' ALA . . . . . 0.516 ' O ' ' SD ' ' A' ' 540' ' ' MET . . . -65.07 -45.6 84.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.482 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 574' ' ' SER . . . . . . . . . . . . . 21.2 m -60.41 -32.21 71.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.548 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 30.1 m -57.47 -51.73 68.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.527 -178.617 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -51.34 -37.67 39.86 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.555 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 15.6 p -59.95 -33.87 72.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.79 0.328 . . . . 0.0 110.576 179.631 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 45.3 mt -59.12 -52.45 65.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.593 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 89.5 t -69.84 -45.39 77.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.525 -179.245 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 580' ' ' LEU . . . . . 0.49 ' O ' ' N ' ' A' ' 584' ' ' HIS . 34.7 mt -58.05 -38.0 75.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.503 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -53.44 -52.01 60.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.704 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 582' ' ' ARG . . . . . 0.417 ' O ' ' CB ' ' A' ' 586' ' ' LEU . 78.4 mtp180 -78.72 -40.69 32.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.705 -179.432 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 19.2 tp -67.72 -55.75 11.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.606 -179.173 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 584' ' ' HIS . . . . . 0.49 ' N ' ' O ' ' A' ' 580' ' ' LEU . 79.7 t60 -49.25 -43.71 43.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.581 -179.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 585' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -78.99 -49.68 12.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.648 -179.292 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 586' ' ' LEU . . . . . 0.417 ' CB ' ' O ' ' A' ' 582' ' ' ARG . 31.9 tp -51.54 -50.17 60.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.648 -179.667 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 587' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -59.2 -39.36 82.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.665 179.182 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 588' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -66.82 -50.57 62.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.65 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 589' ' ' THR . . . . . . . . . . . . . 68.9 p -58.14 -30.98 66.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.609 -179.102 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 590' ' ' ILE . . . . . . . . . . . . . 3.1 mm . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.609 -179.666 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 59.8 t0 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.859 0.361 . . . . 0.0 110.576 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 69.9 ttt180 -55.62 -30.57 61.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.569 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 40.5 mm-40 -70.0 -35.23 74.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.66 -179.542 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -56.26 -55.68 30.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.606 -179.106 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 24.3 pt -57.69 -29.66 35.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.776 -179.027 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 444' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -80.57 -48.41 12.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.716 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -56.61 -25.57 53.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.767 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 446' ' ' THR . . . . . 0.481 ' O ' ' HB3' ' A' ' 449' ' ' ALA . 58.0 m -71.61 -59.84 2.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.628 -179.242 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 16.0 mt -38.97 -56.78 1.35 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.626 -179.674 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 448' ' ' VAL . . . . . . . . . . . . . 5.8 p -59.12 -37.49 68.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.7 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 449' ' ' ALA . . . . . 0.481 ' HB3' ' O ' ' A' ' 446' ' ' THR . . . -56.15 -45.43 79.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.669 179.399 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 450' ' ' LYS . . . . . . . . . . . . . 53.1 mttm -70.95 -41.42 71.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.582 178.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . -49.2 -49.47 30.81 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 452' ' ' ARG . . . . . . . . . . . . . 59.6 ttp180 -57.39 -43.24 83.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.734 0.302 . . . . 0.0 110.561 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -76.25 -37.26 57.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.64 -179.621 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 41.7 mt -68.02 -58.35 4.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.578 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 455' ' ' LEU . . . . . 0.561 HD11 ' CD1' ' A' ' 569' ' ' PHE . 88.7 mt -70.32 -25.39 63.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.495 179.373 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . 60.66 42.47 13.75 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.656 -176.501 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 457' ' ' CYS . . . . . 0.546 ' SG ' ' CG2' ' A' ' 460' ' ' VAL . 1.8 p -90.48 -160.45 0.7 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.461 -179.751 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 458' ' ' ASP . . . . . 0.62 ' CG ' HE21 ' A' ' 554' ' ' GLN . 73.6 m-20 -115.62 -28.32 6.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.545 -178.17 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 459' ' ' ARG . . . . . . . . . . . . . 7.5 ttp180 -148.14 142.91 26.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.777 179.695 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 460' ' ' VAL . . . . . 0.546 ' CG2' ' SG ' ' A' ' 457' ' ' CYS . 55.9 t -148.38 144.86 18.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.324 -179.759 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 461' ' ' ILE . . . . . . . . . . . . . 13.9 pt -142.8 151.66 17.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.891 0.377 . . . . 0.0 110.866 -179.674 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 462' ' ' VAL . . . . . . . . . . . . . 38.3 t -109.58 130.19 63.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.368 178.774 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 463' ' ' TYR . . . . . 0.434 ' OH ' ' CZ ' ' A' ' 465' ' ' PHE . 0.1 OUTLIER -148.64 145.33 27.7 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.684 -178.865 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 464' ' ' ALA . . . . . 0.406 ' O ' HG22 ' A' ' 472' ' ' THR . . . -139.1 169.66 17.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.344 179.011 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 465' ' ' PHE . . . . . 0.434 ' CZ ' ' OH ' ' A' ' 463' ' ' TYR . 62.6 m-85 -100.14 103.25 14.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.579 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 466' ' ' ASP . . . . . 0.545 ' CG ' ' H ' ' A' ' 467' ' ' ASP . 31.1 t0 -70.84 -160.51 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.551 178.629 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 467' ' ' ASP . . . . . 0.545 ' H ' ' CG ' ' A' ' 466' ' ' ASP . 89.9 m-20 -89.47 14.56 11.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.586 -179.733 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 468' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -125.79 12.95 7.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.608 -179.093 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 469' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 60.26 17.61 7.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.619 -179.654 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 470' ' ' VAL . . . . . . . . . . . . . 76.4 t -104.36 137.47 33.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.631 179.249 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -67.93 91.03 0.22 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.866 -0.894 . . . . 0.0 110.866 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 472' ' ' THR . . . . . 0.406 HG22 ' O ' ' A' ' 464' ' ' ALA . 0.2 OUTLIER -54.25 134.78 44.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.782 0.325 . . . . 0.0 110.628 179.758 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 473' ' ' VAL . . . . . 0.449 ' H ' HG22 ' A' ' 473' ' ' VAL . 3.3 m -83.08 76.61 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.529 -178.656 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 2.8 t -59.7 -67.1 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.564 178.34 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -151.17 141.92 22.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.581 179.079 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 476' ' ' GLU . . . . . 0.61 ' OE2' ' HB3' ' A' ' 485' ' ' ALA . 2.3 tp10 -123.76 129.97 51.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.554 179.504 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 477' ' ' SER . . . . . 0.45 ' O ' ' O ' ' A' ' 460' ' ' VAL . 9.1 t -132.08 114.68 14.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.488 -179.793 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 478' ' ' VAL . . . . . 0.479 ' O ' HG23 ' A' ' 478' ' ' VAL . 8.9 m -125.72 129.05 72.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.589 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 479' ' ' ALA . . . . . . . . . . . . . . . -56.41 166.41 0.88 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.57 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -60.67 143.32 54.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.598 -179.063 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 100.72 -29.86 11.52 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.809 -0.916 . . . . 0.0 110.809 177.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 482' ' ' TRP . . . . . . . . . . . . . 19.1 m95 -99.57 142.79 25.25 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 120.973 0.416 . . . . 0.0 110.613 179.225 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 483' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -72.54 166.67 29.17 Favored 'Trans proline' 0 C--N 1.304 -1.766 0 C-N-CA 122.884 2.389 . . . . 0.0 112.085 -179.372 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -80.12 120.46 24.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.558 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 485' ' ' ALA . . . . . 0.61 ' HB3' ' OE2' ' A' ' 476' ' ' GLU . . . -76.21 -11.46 59.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.521 -179.741 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 486' ' ' ARG . . . . . . . . . . . . . 49.5 ttt85 -54.94 -33.3 62.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.571 -179.37 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 487' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -67.98 -13.15 61.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.485 -179.333 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 488' ' ' GLN . . . . . 0.616 ' OE1' HD21 ' A' ' 530' ' ' LEU . 77.5 mt-30 -106.01 116.0 31.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.554 179.752 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 489' ' ' VAL . . . . . . . . . . . . . 93.7 t -101.95 121.09 52.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.537 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 9.6 mm -47.54 108.75 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.606 -179.656 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -79.28 -23.49 43.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.587 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 492' ' ' ASP . . . . . . . . . . . . . 15.5 t0 . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.57 -179.588 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 503' ' ' TYR . . . . . 0.425 ' CG ' ' CD2' ' A' ' 549' ' ' LEU . 56.1 m-85 . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.816 0.341 . . . . 0.0 110.485 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 54.2 ttp180 -62.55 -13.94 36.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.568 -179.687 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -99.16 1.41 44.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.667 -179.496 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . 83.21 35.18 18.62 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 507' ' ' ARG . . . . . . . . . . . . . 23.6 ttm180 -78.3 134.94 37.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.749 0.309 . . . . 0.0 110.598 179.709 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 7.4 pt -105.53 123.68 60.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.496 179.089 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 509' ' ' GLN . . . . . . . . . . . . . 43.7 tp60 -117.59 119.97 36.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.575 -178.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 510' ' ' ALA . . . . . 0.765 ' HB1' ' CD1' ' A' ' 561' ' ' TRP . . . -127.24 100.08 5.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.579 178.053 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 511' ' ' THR . . . . . . . . . . . . . 3.9 m -110.7 103.5 12.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.531 -179.309 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 512' ' ' THR . . . . . . . . . . . . . 6.2 m -51.31 -19.59 1.34 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.52 179.411 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 513' ' ' ASP . . . . . 0.489 ' OD1' ' NZ ' ' A' ' 516' ' ' LYS . 18.2 p30 -169.86 117.24 0.57 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.544 -179.114 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 514' ' ' ILE . . . . . 0.662 HG22 ' O ' ' A' ' 514' ' ' ILE . 96.6 mt -69.72 0.66 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.582 179.055 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 515' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -74.49 -31.7 62.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.516 -178.322 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 516' ' ' LYS . . . . . 0.489 ' NZ ' ' OD1' ' A' ' 513' ' ' ASP . 9.4 pttm -97.87 29.33 3.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.509 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -130.8 141.66 50.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.489 -177.478 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 518' ' ' GLY . . . . . 0.412 ' O ' ' O ' ' A' ' 519' ' ' LEU . . . 42.55 44.28 5.22 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.901 -0.879 . . . . 0.0 110.901 177.352 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 519' ' ' LEU . . . . . 0.468 HD23 ' N ' ' A' ' 519' ' ' LEU . 2.2 mt -44.47 171.4 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.7 0.286 . . . . 0.0 110.701 178.417 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 520' ' ' THR . . . . . . . . . . . . . 30.0 p 46.52 37.34 4.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.524 178.77 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 46.5 tt0 -146.5 162.29 38.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.428 179.645 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 522' ' ' CYS . . . . . 0.707 ' O ' ' CG ' ' A' ' 523' ' ' HIS . 0.8 OUTLIER -61.14 125.43 23.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.497 178.159 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 523' ' ' HIS . . . . . 0.707 ' CG ' ' O ' ' A' ' 522' ' ' CYS . 12.8 m170 -173.72 -80.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.623 -178.58 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 524' ' ' LEU . . . . . 0.526 ' O ' ' N ' ' A' ' 528' ' ' ARG . 0.5 OUTLIER -50.47 -35.89 31.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.721 178.526 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 525' ' ' ASN . . . . . . . . . . . . . 53.9 t-20 -57.78 -42.96 85.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.685 -177.618 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 526' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -98.85 -8.7 25.35 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.607 -178.19 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 75.6 mt -106.93 -21.85 12.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.601 -177.693 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 528' ' ' ARG . . . . . 0.702 ' N ' ' CD ' ' A' ' 529' ' ' PRO . 0.7 OUTLIER -70.31 -40.68 12.26 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.203 -178.166 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 529' ' ' PRO . . . . . 0.702 ' CD ' ' N ' ' A' ' 528' ' ' ARG . 33.3 Cg_exo -57.72 -45.82 30.79 Favored 'Trans proline' 0 C--N 1.305 -1.735 0 C-N-CA 122.961 2.44 . . . . 0.0 112.196 -178.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 530' ' ' LEU . . . . . 0.616 HD21 ' OE1' ' A' ' 488' ' ' GLN . 85.7 mt -75.07 3.63 8.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.64 179.563 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 3.4 mtmm 59.8 26.05 15.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.584 179.546 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 532' ' ' VAL . . . . . . . . . . . . . 56.0 t -73.99 104.97 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.588 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -106.45 -15.87 14.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.377 179.035 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 534' ' ' ALA . . . . . 0.685 ' HB2' ' HA ' ' A' ' 558' ' ' PRO . . . -124.63 135.22 52.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.095 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -127.21 117.4 22.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.903 0.382 . . . . 0.0 111.206 -179.317 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 536' ' ' LEU . . . . . . . . . . . . . 64.3 tp -130.17 126.54 37.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.966 176.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 537' ' ' VAL . . . . . 0.774 HG22 HD12 ' A' ' 551' ' ' ILE . 52.8 t -129.2 146.21 34.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.053 0.454 . . . . 0.0 111.189 -177.165 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 538' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 538' ' ' VAL . 34.5 m -140.62 129.91 13.11 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.03 178.104 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 539' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -72.47 133.26 20.41 Favored 'Trans proline' 0 C--N 1.304 -1.787 0 C-N-CA 122.74 2.293 . . . . 0.0 112.524 -174.701 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 540' ' ' MET . . . . . 0.546 ' SD ' ' O ' ' A' ' 573' ' ' ALA . 6.4 ttt -127.62 118.15 23.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.061 176.286 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 541' ' ' VAL . . . . . . . . . . . . . 17.1 m . . . . . 0 C--N 1.328 -0.343 0 CA-C-O 120.985 0.422 . . . . 0.0 111.143 -175.533 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 546' ' ' LEU . . . . . . . . . . . . . 27.4 tp . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.81 0.338 . . . . 0.0 110.562 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 547' ' ' PHE . . . . . 0.409 ' CD2' HD13 ' A' ' 580' ' ' LEU . 13.2 t80 -114.53 -47.48 2.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.507 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 548' ' ' GLY . . . . . 0.402 ' C ' HD12 ' A' ' 549' ' ' LEU . . . -167.0 179.82 40.51 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 -179.783 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 549' ' ' LEU . . . . . 0.464 HD12 ' N ' ' A' ' 549' ' ' LEU . 4.2 mp -142.64 139.55 31.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.796 0.332 . . . . 0.0 110.569 -179.748 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 550' ' ' LEU . . . . . 0.627 HD12 ' N ' ' A' ' 550' ' ' LEU . 9.0 mp -95.25 118.38 31.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.332 179.43 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 551' ' ' ILE . . . . . 0.774 HD12 HG22 ' A' ' 537' ' ' VAL . 3.3 mm -115.4 138.54 45.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.004 -178.65 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -124.72 114.11 18.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.116 178.654 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 553' ' ' HIS . . . . . 0.503 ' CE1' ' CG2' ' A' ' 551' ' ' ILE . 55.5 m80 -110.01 130.88 55.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.87 -179.729 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 554' ' ' GLN . . . . . 0.659 ' H ' ' HB3' ' A' ' 534' ' ' ALA . 13.9 tp60 -88.95 115.78 26.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.676 174.239 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -91.24 -7.4 51.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.456 -176.556 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 556' ' ' SER . . . . . 0.466 ' HG ' ' CG ' ' A' ' 458' ' ' ASP . 3.1 m -95.16 -30.03 14.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.54 -177.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 173.35 148.42 0.22 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.413 -178.719 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 558' ' ' PRO . . . . . 0.685 ' HA ' ' HB2' ' A' ' 534' ' ' ALA . 41.5 Cg_endo -68.37 126.27 14.02 Favored 'Trans proline' 0 C--N 1.305 -1.747 0 C-N-CA 122.834 2.356 . . . . 0.0 112.208 178.898 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -119.7 141.69 49.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.347 -176.622 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 560' ' ' GLN . . . . . 0.435 ' O ' ' OE1' ' A' ' 562' ' ' GLN . 56.2 tp60 -79.38 118.89 21.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.665 176.303 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 561' ' ' TRP . . . . . 0.765 ' CD1' ' HB1' ' A' ' 510' ' ' ALA . 0.9 OUTLIER -60.87 144.74 52.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.275 -177.034 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 562' ' ' GLN . . . . . 0.453 ' N ' ' OE1' ' A' ' 562' ' ' GLN . 0.2 OUTLIER -90.69 137.93 31.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.871 177.215 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 563' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -45.98 -42.73 13.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.584 -178.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 564' ' ' ILE . . . . . 0.424 HG13 ' H ' ' A' ' 564' ' ' ILE . 0.0 OUTLIER -71.09 -35.21 57.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.524 -179.567 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 565' ' ' GLU . . . . . 0.6 ' OE1' ' N ' ' A' ' 565' ' ' GLU . 3.1 mp0 -65.96 -38.09 87.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.556 -179.009 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 566' ' ' ILE . . . . . . . . . . . . . 81.6 mt -64.93 -49.1 81.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.642 -179.557 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -64.98 -49.63 69.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.653 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 568' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -61.53 -46.29 90.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.524 -178.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 569' ' ' PHE . . . . . 0.561 ' CD1' HD11 ' A' ' 455' ' ' LEU . 47.2 t80 -62.84 -41.56 99.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.505 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 23.1 t -60.41 -40.22 90.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.534 177.805 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -58.39 -40.51 82.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.538 177.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 15.0 tp -57.93 -42.58 85.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.443 178.715 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 573' ' ' ALA . . . . . 0.546 ' O ' ' SD ' ' A' ' 540' ' ' MET . . . -66.19 -44.8 82.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.473 179.518 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 574' ' ' SER . . . . . . . . . . . . . 19.6 m -58.46 -31.26 67.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.537 179.601 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 17.5 m -64.55 -43.6 93.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.514 -179.59 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -48.68 -38.58 22.39 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 178.818 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 34.5 m -58.53 -40.06 81.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.799 0.333 . . . . 0.0 110.536 178.564 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 59.9 mt -54.35 -45.0 72.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.645 178.781 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 93.1 t -74.93 -51.15 22.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.466 -178.631 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 580' ' ' LEU . . . . . 0.568 ' O ' ' N ' ' A' ' 584' ' ' HIS . 95.5 mt -61.61 -43.51 98.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.499 -178.801 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -51.87 -52.01 52.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.683 -179.298 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 582' ' ' ARG . . . . . . . . . . . . . 84.0 mtt-85 -76.98 -41.91 41.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.695 -179.658 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 29.3 tp -70.34 -60.7 2.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.681 -179.219 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 584' ' ' HIS . . . . . 0.568 ' N ' ' O ' ' A' ' 580' ' ' LEU . 63.9 t60 -47.13 -41.87 18.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.612 -178.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 585' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -77.15 -51.04 11.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.687 -179.262 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 28.9 tp -51.77 -49.82 61.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.617 -179.258 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 587' ' ' GLU . . . . . 0.422 ' HA ' HD12 ' A' ' 590' ' ' ILE . 97.1 mt-10 -55.89 -38.54 70.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.621 179.057 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 588' ' ' GLN . . . . . . . . . . . . . 7.6 tp60 -66.67 -43.94 83.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.683 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 589' ' ' THR . . . . . . . . . . . . . 68.3 p -59.42 -33.29 71.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.598 -179.112 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 590' ' ' ILE . . . . . 0.422 HD12 ' HA ' ' A' ' 587' ' ' GLU . 75.7 mt . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.585 -179.677 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 54.1 p30 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.813 0.34 . . . . 0.0 110.543 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -57.12 -33.02 66.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.58 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 44.7 mm-40 -68.15 -32.44 72.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.639 -179.697 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -61.11 -54.76 40.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.582 -179.499 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 22.3 pt -61.1 -34.53 60.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.699 -179.118 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 444' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -78.53 -51.59 9.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.669 -179.158 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -55.61 -22.86 24.45 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.723 179.116 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 446' ' ' THR . . . . . 0.487 ' O ' ' HB3' ' A' ' 449' ' ' ALA . 51.5 m -71.98 -58.62 3.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.679 -179.705 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 447' ' ' LEU . . . . . 0.416 ' HG ' ' H ' ' A' ' 447' ' ' LEU . 14.8 mt -39.37 -56.65 1.53 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.602 -179.795 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 448' ' ' VAL . . . . . . . . . . . . . 5.3 p -58.57 -37.62 66.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.682 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 449' ' ' ALA . . . . . 0.487 ' HB3' ' O ' ' A' ' 446' ' ' THR . . . -56.17 -44.54 79.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.583 179.039 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 450' ' ' LYS . . . . . . . . . . . . . 77.2 mttt -72.27 -41.42 66.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.603 178.681 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . -49.46 -50.91 28.79 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 -179.605 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 452' ' ' ARG . . . . . 0.524 ' NH2' ' OG ' ' A' ' 477' ' ' SER . 27.9 ttm180 -57.82 -44.92 86.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.821 0.343 . . . . 0.0 110.614 -179.74 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -71.72 -37.84 70.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.622 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 41.4 mt -67.73 -57.77 5.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.649 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 455' ' ' LEU . . . . . 0.587 HD11 ' CD1' ' A' ' 569' ' ' PHE . 97.2 mt -71.23 -25.55 62.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.52 179.215 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . 60.17 44.18 13.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.666 -176.681 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 457' ' ' CYS . . . . . 0.589 ' C ' HE22 ' A' ' 554' ' ' GLN . 3.1 p -91.6 -159.52 0.65 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.422 -179.803 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 458' ' ' ASP . . . . . 0.498 ' N ' ' NE2' ' A' ' 554' ' ' GLN . 53.8 t0 -115.83 -27.98 6.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.67 -178.136 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 459' ' ' ARG . . . . . 0.555 HH11 HG12 ' A' ' 478' ' ' VAL . 28.5 ttp85 -147.73 141.83 26.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.676 -179.403 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 460' ' ' VAL . . . . . 0.575 ' CG2' ' SG ' ' A' ' 457' ' ' CYS . 39.6 t -148.58 144.96 18.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.314 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 461' ' ' ILE . . . . . 0.444 HG21 HH22 ' A' ' 459' ' ' ARG . 13.7 pt -142.89 151.86 17.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.894 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 462' ' ' VAL . . . . . . . . . . . . . 33.7 t -112.07 132.47 60.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.349 179.125 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 463' ' ' TYR . . . . . 0.927 ' CE1' HD11 ' A' ' 551' ' ' ILE . 1.1 p90 -146.87 146.5 30.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.726 -178.795 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 464' ' ' ALA . . . . . 0.556 ' O ' HG22 ' A' ' 472' ' ' THR . . . -136.32 164.25 28.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.387 178.417 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 465' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -96.19 100.67 12.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.555 -179.008 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 466' ' ' ASP . . . . . 0.547 ' CG ' ' H ' ' A' ' 467' ' ' ASP . 29.3 t0 -74.2 -158.54 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.53 178.839 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 467' ' ' ASP . . . . . 0.547 ' H ' ' CG ' ' A' ' 466' ' ' ASP . 85.9 m-20 -93.17 15.53 15.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.501 -179.579 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 468' ' ' ASN . . . . . 0.501 ' O ' ' N ' ' A' ' 470' ' ' VAL . 0.4 OUTLIER -126.47 31.55 5.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.617 -178.639 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 469' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 44.04 17.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.594 179.777 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 470' ' ' VAL . . . . . 0.501 ' N ' ' O ' ' A' ' 468' ' ' ASN . 8.6 p -109.33 142.94 20.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.544 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -75.2 82.33 0.89 Allowed Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.901 -0.879 . . . . 0.0 110.901 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 472' ' ' THR . . . . . 0.556 HG22 ' O ' ' A' ' 464' ' ' ALA . 0.0 OUTLIER -42.04 142.98 0.63 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.815 0.34 . . . . 0.0 110.619 179.937 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 473' ' ' VAL . . . . . 0.463 HG11 ' NH1' ' A' ' 486' ' ' ARG . 91.2 t -88.03 92.78 3.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.511 -178.818 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 2.4 t -75.74 -67.98 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.632 177.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -149.48 138.08 20.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.58 178.77 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 476' ' ' GLU . . . . . 0.554 ' OE2' ' HB3' ' A' ' 485' ' ' ALA . 73.5 tt0 -125.16 132.59 53.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.592 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 477' ' ' SER . . . . . 0.524 ' OG ' ' NH2' ' A' ' 452' ' ' ARG . 7.4 t -134.02 115.5 14.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.505 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 478' ' ' VAL . . . . . 0.555 HG12 HH11 ' A' ' 459' ' ' ARG . 24.7 m -122.85 126.73 74.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.562 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 479' ' ' ALA . . . . . . . . . . . . . . . -57.8 167.72 1.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.504 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -61.76 144.58 54.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.563 -179.466 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 102.16 -30.61 10.04 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 178.13 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 482' ' ' TRP . . . . . . . . . . . . . 13.2 m95 -101.91 138.85 19.9 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 120.987 0.423 . . . . 0.0 110.665 178.592 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 483' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -74.09 171.7 17.44 Favored 'Trans proline' 0 C--N 1.306 -1.695 0 C-N-CA 122.852 2.368 . . . . 0.0 112.088 -179.181 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -84.04 120.98 26.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.657 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 485' ' ' ALA . . . . . 0.554 ' HB3' ' OE2' ' A' ' 476' ' ' GLU . . . -75.44 -7.16 53.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.496 -179.71 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 486' ' ' ARG . . . . . 0.463 ' NH1' HG11 ' A' ' 473' ' ' VAL . 57.9 ttt85 -49.63 -33.91 16.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.56 -179.471 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 487' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -67.05 -17.55 64.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.529 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 488' ' ' GLN . . . . . 0.505 ' OE1' HD21 ' A' ' 530' ' ' LEU . 89.0 mt-30 -106.76 115.66 30.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.547 179.771 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 489' ' ' VAL . . . . . . . . . . . . . 48.3 t -98.91 117.93 44.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.571 179.396 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 490' ' ' ILE . . . . . 0.772 ' N ' HD13 ' A' ' 490' ' ' ILE . 0.1 OUTLIER -48.62 138.49 3.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.59 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -107.1 -32.86 7.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.536 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 492' ' ' ASP . . . . . . . . . . . . . 45.9 t0 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.608 -179.847 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 54.1 m-85 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.918 0.389 . . . . 0.0 110.602 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 504' ' ' ARG . . . . . 0.529 ' C ' ' H ' ' A' ' 506' ' ' GLY . 57.7 ttt180 -60.43 -54.2 48.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.555 -179.736 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -61.31 3.31 0.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.619 179.722 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 506' ' ' GLY . . . . . 0.529 ' H ' ' C ' ' A' ' 504' ' ' ARG . . . 79.39 38.66 20.87 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 177.7 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 507' ' ' ARG . . . . . . . . . . . . . 23.5 ttm180 -68.57 137.46 54.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.792 0.329 . . . . 0.0 110.581 178.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 69.3 mt -106.53 123.57 61.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.566 179.4 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 509' ' ' GLN . . . . . . . . . . . . . 61.2 tp60 -114.21 118.52 34.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.528 -178.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 510' ' ' ALA . . . . . 0.86 ' HB1' ' CD1' ' A' ' 561' ' ' TRP . . . -128.15 101.12 6.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.553 178.202 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 511' ' ' THR . . . . . . . . . . . . . 4.1 m -111.5 104.04 12.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.592 -179.495 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 512' ' ' THR . . . . . . . . . . . . . 8.0 m -50.66 -19.96 1.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.488 179.241 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 513' ' ' ASP . . . . . 0.521 ' N ' ' OD1' ' A' ' 513' ' ' ASP . 6.1 p30 -169.79 117.54 0.59 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.532 -179.01 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 514' ' ' ILE . . . . . 0.641 HG22 ' O ' ' A' ' 514' ' ' ILE . 93.6 mt -69.23 1.19 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.578 179.425 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 515' ' ' PHE . . . . . 0.646 ' CE2' HD22 ' A' ' 524' ' ' LEU . 7.5 m-85 -77.37 -32.9 55.26 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.53 -178.136 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 34.1 pttt -96.2 27.94 3.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.51 179.642 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -131.33 123.28 27.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.578 -177.837 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . 60.93 43.87 98.83 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 177.23 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 519' ' ' LEU . . . . . . . . . . . . . 60.4 mt -46.17 169.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.806 0.336 . . . . 0.0 110.61 177.841 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 520' ' ' THR . . . . . . . . . . . . . 13.9 p 50.07 35.21 9.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.587 179.262 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 52.3 tt0 -146.14 163.73 34.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.479 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 522' ' ' CYS . . . . . 0.655 ' O ' ' CG ' ' A' ' 523' ' ' HIS . 0.7 OUTLIER -59.98 125.6 24.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.46 178.489 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 523' ' ' HIS . . . . . 0.655 ' CG ' ' O ' ' A' ' 522' ' ' CYS . 25.3 m-70 -170.61 -82.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.674 -178.809 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 524' ' ' LEU . . . . . 0.646 HD22 ' CE2' ' A' ' 515' ' ' PHE . 10.1 mt -48.11 -33.7 8.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.674 178.323 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 525' ' ' ASN . . . . . . . . . . . . . 55.8 t-20 -57.27 -43.51 83.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.679 -177.37 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 526' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -103.54 -7.48 20.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.592 -178.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 527' ' ' LEU . . . . . 0.613 ' O ' HG22 ' A' ' 532' ' ' VAL . 95.9 mt -107.18 -25.77 11.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.599 -176.709 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 528' ' ' ARG . . . . . 0.715 ' N ' ' CD ' ' A' ' 529' ' ' PRO . 16.8 tpt180 -68.63 -38.54 12.44 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.379 -177.293 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 529' ' ' PRO . . . . . 0.715 ' CD ' ' N ' ' A' ' 528' ' ' ARG . 34.9 Cg_exo -59.49 -45.63 25.19 Favored 'Trans proline' 0 C--N 1.306 -1.708 0 C-N-CA 122.812 2.341 . . . . 0.0 112.179 -178.238 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 530' ' ' LEU . . . . . 0.559 ' HB2' HG13 ' A' ' 532' ' ' VAL . 67.8 mt -70.03 -6.97 37.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.698 -179.023 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 531' ' ' LYS . . . . . 0.557 ' HZ2' ' C ' ' A' ' 530' ' ' LEU . 4.9 mtmp? 64.31 25.41 13.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.544 178.664 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 532' ' ' VAL . . . . . 0.679 ' O ' HG23 ' A' ' 532' ' ' VAL . 26.3 m -76.02 109.42 9.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.702 179.689 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 533' ' ' ARG . . . . . 0.521 ' NH1' ' O ' ' A' ' 555' ' ' ALA . 74.8 mtt85 -100.07 -14.11 18.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.319 179.6 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 534' ' ' ALA . . . . . 0.577 ' HB3' ' H ' ' A' ' 554' ' ' GLN . . . -130.13 138.48 50.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.103 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 23.1 t30 -128.49 118.25 22.74 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.703 -0.399 . . . . 0.0 111.157 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 536' ' ' LEU . . . . . . . . . . . . . 69.4 tp -130.76 128.16 40.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.998 177.693 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 58.6 t -130.69 147.51 33.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.052 0.453 . . . . 0.0 111.133 -177.647 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 538' ' ' VAL . . . . . . . . . . . . . 30.9 m -140.0 129.74 13.75 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.007 178.435 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 539' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -72.39 136.13 25.78 Favored 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 122.719 2.279 . . . . 0.0 112.51 -174.559 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 540' ' ' MET . . . . . 0.456 ' HB3' ' O ' ' A' ' 548' ' ' GLY . 0.9 OUTLIER -127.96 118.07 22.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.049 176.125 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 541' ' ' VAL . . . . . . . . . . . . . 31.0 m . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.103 -175.938 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 546' ' ' LEU . . . . . . . . . . . . . 29.1 tp . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.831 0.348 . . . . 0.0 110.535 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 547' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -112.96 -54.93 2.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.582 -179.331 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 548' ' ' GLY . . . . . 0.544 ' C ' HD12 ' A' ' 549' ' ' LEU . . . -170.58 -175.89 39.6 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 -178.859 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 549' ' ' LEU . . . . . 0.544 HD12 ' C ' ' A' ' 548' ' ' GLY . 5.2 mp -144.93 141.1 28.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.764 0.316 . . . . 0.0 110.624 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 550' ' ' LEU . . . . . 0.588 HD12 ' N ' ' A' ' 550' ' ' LEU . 7.1 mp -94.66 124.46 38.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.305 179.442 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 551' ' ' ILE . . . . . 0.927 HD11 ' CE1' ' A' ' 463' ' ' TYR . 5.0 mt -117.24 140.64 39.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.871 -179.346 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -125.43 114.33 18.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.184 177.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 553' ' ' HIS . . . . . 0.527 ' CE1' ' CG2' ' A' ' 551' ' ' ILE . 52.7 m80 -108.8 127.86 54.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.879 0.371 . . . . 0.0 110.868 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 554' ' ' GLN . . . . . 0.589 HE22 ' C ' ' A' ' 457' ' ' CYS . 27.1 tp60 -86.59 115.28 23.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.728 175.194 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 555' ' ' ALA . . . . . 0.521 ' O ' ' NH1' ' A' ' 533' ' ' ARG . . . -90.26 -8.61 50.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.51 -176.614 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 556' ' ' SER . . . . . . . . . . . . . 91.6 p -93.49 -31.37 14.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.492 -177.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 173.97 150.18 0.24 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.398 -178.681 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 558' ' ' PRO . . . . . 0.571 ' HA ' ' HB2' ' A' ' 534' ' ' ALA . 53.4 Cg_endo -70.44 125.41 11.76 Favored 'Trans proline' 0 C--N 1.305 -1.761 0 C-N-CA 122.744 2.296 . . . . 0.0 112.279 179.191 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 11.9 ptm180 -117.93 140.29 49.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.306 -176.431 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 560' ' ' GLN . . . . . 0.474 ' NE2' ' N ' ' A' ' 561' ' ' TRP . 34.4 tp60 -77.93 118.26 20.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.624 176.065 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 561' ' ' TRP . . . . . 0.86 ' CD1' ' HB1' ' A' ' 510' ' ' ALA . 1.1 m95 -57.72 146.83 29.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.353 -177.102 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -94.54 136.7 34.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.832 177.829 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 563' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -45.81 -43.09 12.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.544 -179.492 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 564' ' ' ILE . . . . . 0.43 ' O ' ' OE1' ' A' ' 568' ' ' GLN . 6.3 mm -72.69 -35.78 51.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.544 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 88.8 mt-10 -64.95 -35.15 80.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.595 -178.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 566' ' ' ILE . . . . . 0.525 HD11 ' CB ' ' A' ' 561' ' ' TRP . 46.2 mm -65.83 -49.26 78.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.628 -179.55 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 60.8 t0 -63.41 -49.04 75.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.543 -179.416 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 568' ' ' GLN . . . . . 0.43 ' OE1' ' O ' ' A' ' 564' ' ' ILE . 1.5 mp0 -61.9 -45.3 94.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.518 -178.716 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 569' ' ' PHE . . . . . 0.587 ' CD1' HD11 ' A' ' 455' ' ' LEU . 51.1 t80 -65.48 -43.25 90.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.521 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 21.7 m -60.72 -37.75 82.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.498 177.543 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 82.9 mt-10 -59.85 -40.54 88.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.575 177.47 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 15.2 tp -57.39 -42.12 81.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.523 178.673 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . -68.31 -44.47 75.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.448 179.472 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 574' ' ' SER . . . . . . . . . . . . . 37.4 m -60.32 -32.89 71.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.557 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 43.7 m -58.48 -51.8 68.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.626 -178.722 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -51.91 -38.5 46.4 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 24.0 p -59.62 -30.9 69.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.796 0.331 . . . . 0.0 110.558 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 48.9 mt -63.13 -53.67 49.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.551 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 99.3 t -72.55 -45.97 56.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.492 -178.682 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 580' ' ' LEU . . . . . 0.429 ' O ' ' CB ' ' A' ' 584' ' ' HIS . 49.4 mt -53.55 -36.19 61.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.52 -179.23 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -60.14 -58.46 8.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.72 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 582' ' ' ARG . . . . . . . . . . . . . 57.3 mtm180 -69.86 -40.12 75.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.676 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 43.7 tp -65.14 -54.97 21.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.67 -179.251 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 584' ' ' HIS . . . . . 0.429 ' CB ' ' O ' ' A' ' 580' ' ' LEU . 83.5 t60 -49.94 -32.58 15.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.708 -179.392 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 585' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -77.12 -49.53 15.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.586 -179.423 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 38.0 mt -59.4 -45.61 91.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.647 -178.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 587' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -60.73 -47.35 86.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.598 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 588' ' ' GLN . . . . . 0.5 ' OE1' ' N ' ' A' ' 588' ' ' GLN . 3.2 mp0 -68.82 -49.39 58.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.645 -179.303 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 589' ' ' THR . . . . . . . . . . . . . 51.3 m -58.16 -32.28 68.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.632 -178.847 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 590' ' ' ILE . . . . . . . . . . . . . 11.3 mt . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.559 -179.292 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 439' ' ' ASP . . . . . 0.461 ' CG ' ' H ' ' A' ' 440' ' ' ARG . 43.2 t0 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.87 0.367 . . . . 0.0 110.56 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 440' ' ' ARG . . . . . 0.461 ' H ' ' CG ' ' A' ' 439' ' ' ASP . 7.8 ptp85 -55.89 -30.11 61.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.613 -179.774 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 41.1 mm-40 -67.4 -38.29 84.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.666 -179.037 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -57.87 -55.34 36.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.675 -179.346 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 22.7 pt -59.99 -33.05 51.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.72 -179.059 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 444' ' ' PHE . . . . . 0.418 ' CD1' HG11 ' A' ' 474' ' ' VAL . 4.9 m-85 -77.86 -48.57 16.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.661 -179.599 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -56.85 -22.95 40.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.639 179.598 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 446' ' ' THR . . . . . 0.467 ' O ' ' HB3' ' A' ' 449' ' ' ALA . 82.5 m -74.37 -59.26 2.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.598 -179.258 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 447' ' ' LEU . . . . . 0.425 ' H ' ' HG ' ' A' ' 447' ' ' LEU . 18.2 mt -39.77 -58.86 1.27 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.656 -178.674 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 448' ' ' VAL . . . . . 0.467 HG13 ' N ' ' A' ' 449' ' ' ALA . 12.4 p -56.96 -39.19 63.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.613 -179.094 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 449' ' ' ALA . . . . . 0.467 ' HB3' ' O ' ' A' ' 446' ' ' THR . . . -54.71 -43.09 72.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.713 179.551 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 450' ' ' LYS . . . . . . . . . . . . . 50.6 mttm -74.57 -37.59 62.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.631 179.237 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . -50.13 -51.93 28.79 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -178.666 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 452' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -61.1 -40.91 95.55 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.822 0.344 . . . . 0.0 110.613 -178.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -73.16 -40.37 64.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.607 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 40.2 mt -68.03 -56.19 9.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.614 -179.469 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 455' ' ' LEU . . . . . 0.565 HD11 ' CD1' ' A' ' 569' ' ' PHE . 87.1 mt -70.16 -24.14 63.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.522 -179.772 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . 59.67 41.58 18.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.635 -176.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 5.1 t -91.58 -159.53 0.65 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.502 -179.526 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 458' ' ' ASP . . . . . 0.419 ' O ' ' HB2' ' A' ' 479' ' ' ALA . 46.7 t0 -114.41 -29.88 6.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.632 -178.772 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 459' ' ' ARG . . . . . 0.428 ' O ' ' O ' ' A' ' 553' ' ' HIS . 6.4 ttp180 -147.38 141.5 26.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.756 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 460' ' ' VAL . . . . . . . . . . . . . 9.7 p -151.77 147.89 14.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.296 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 461' ' ' ILE . . . . . . . . . . . . . 13.5 pt -147.64 155.19 10.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.871 0.367 . . . . 0.0 110.875 -178.779 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 462' ' ' VAL . . . . . . . . . . . . . 91.3 t -111.58 131.96 61.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.331 177.772 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 463' ' ' TYR . . . . . 0.855 ' CE1' HD11 ' A' ' 551' ' ' ILE . 1.1 p90 -143.88 144.7 31.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.748 -178.1 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 464' ' ' ALA . . . . . 0.476 ' O ' ' N ' ' A' ' 472' ' ' THR . . . -138.29 166.79 23.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.377 178.155 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 465' ' ' PHE . . . . . 0.416 ' CZ ' HD21 ' A' ' 546' ' ' LEU . 0.0 OUTLIER -98.35 102.07 13.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.528 -179.444 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 466' ' ' ASP . . . . . 0.556 ' CG ' ' H ' ' A' ' 467' ' ' ASP . 31.1 t0 -72.64 -159.09 0.05 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.575 178.661 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 467' ' ' ASP . . . . . 0.556 ' H ' ' CG ' ' A' ' 466' ' ' ASP . 89.7 m-20 -85.35 15.98 4.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.533 -179.626 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 468' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -127.47 7.0 6.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.62 -179.204 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 469' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 64.0 19.47 11.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.551 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 470' ' ' VAL . . . . . . . . . . . . . 99.3 t -106.19 138.3 32.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.56 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -55.94 94.18 0.03 OUTLIER Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.921 -0.871 . . . . 0.0 110.921 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 472' ' ' THR . . . . . 0.476 ' N ' ' O ' ' A' ' 464' ' ' ALA . 18.3 m -46.35 127.61 9.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.813 0.339 . . . . 0.0 110.558 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 473' ' ' VAL . . . . . . . . . . . . . 7.0 t -78.6 67.05 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.543 -179.597 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 474' ' ' VAL . . . . . 0.442 HG23 ' H ' ' A' ' 474' ' ' VAL . 1.5 t -60.1 -67.0 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.587 179.693 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -153.35 144.41 22.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.548 179.088 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 476' ' ' GLU . . . . . 0.548 ' OE2' ' HB3' ' A' ' 485' ' ' ALA . 2.5 tp10 -125.4 133.39 52.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.575 179.253 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 1.3 p -137.01 118.46 14.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.562 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 478' ' ' VAL . . . . . 0.462 ' O ' HG23 ' A' ' 478' ' ' VAL . 6.0 m -125.38 129.75 72.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.545 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 479' ' ' ALA . . . . . 0.419 ' HB2' ' O ' ' A' ' 458' ' ' ASP . . . -57.43 166.65 1.18 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.563 179.468 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 480' ' ' GLU . . . . . 0.573 ' CD ' ' H ' ' A' ' 480' ' ' GLU . 47.6 mp0 -60.67 141.53 56.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.594 -179.303 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 102.34 -30.11 11.1 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.829 -0.909 . . . . 0.0 110.829 177.465 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 482' ' ' TRP . . . . . . . . . . . . . 11.9 m95 -101.08 143.64 26.99 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 120.927 0.394 . . . . 0.0 110.626 179.005 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 483' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -72.94 166.29 30.44 Favored 'Trans proline' 0 C--N 1.304 -1.797 0 C-N-CA 122.916 2.411 . . . . 0.0 112.086 -179.458 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -75.82 121.19 22.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.662 179.716 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 485' ' ' ALA . . . . . 0.548 ' HB3' ' OE2' ' A' ' 476' ' ' GLU . . . -76.05 -11.36 59.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.516 -179.601 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 486' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -51.28 -35.4 37.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.568 -179.708 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 487' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -69.22 -19.78 63.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.457 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -105.75 117.56 34.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.519 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 489' ' ' VAL . . . . . 0.45 ' O ' HG13 ' A' ' 489' ' ' VAL . 14.3 p -110.3 129.67 64.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.591 179.33 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 490' ' ' ILE . . . . . 0.403 HG21 HD13 ' A' ' 490' ' ' ILE . 9.7 pt -55.03 126.13 11.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.539 -179.443 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 491' ' ' GLU . . . . . 0.447 ' HB3' HE22 ' A' ' 526' ' ' GLN . 41.5 tp10 -83.95 -35.36 24.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.597 179.633 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 492' ' ' ASP . . . . . . . . . . . . . 36.8 t0 . . . . . 0 C--N 1.331 -0.233 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.595 -179.753 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 44.3 m-85 . . . . . 0 C--O 1.23 0.041 0 CA-C-O 120.831 0.348 . . . . 0.0 110.558 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 61.1 ttp180 -60.23 -18.88 51.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.57 -179.346 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -105.96 -3.17 22.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.603 -178.843 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . 83.81 37.32 11.84 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 179.459 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 507' ' ' ARG . . . . . . . . . . . . . 22.1 ttm180 -73.77 148.25 42.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.771 0.319 . . . . 0.0 110.578 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 72.1 mt -107.67 123.88 63.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.565 179.139 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 509' ' ' GLN . . . . . . . . . . . . . 61.5 tp60 -113.64 119.28 36.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.537 -179.285 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 510' ' ' ALA . . . . . 0.781 ' HB1' ' CD1' ' A' ' 561' ' ' TRP . . . -128.73 102.15 6.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.566 178.339 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 511' ' ' THR . . . . . . . . . . . . . 3.8 m -110.97 104.64 13.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.596 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 512' ' ' THR . . . . . . . . . . . . . 70.7 p -52.15 -20.28 2.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.503 179.196 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 513' ' ' ASP . . . . . 0.53 ' N ' ' OD1' ' A' ' 513' ' ' ASP . 5.2 p30 -169.42 117.63 0.63 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.548 -179.198 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 514' ' ' ILE . . . . . 0.575 HG22 ' O ' ' A' ' 514' ' ' ILE . 68.1 mt -69.19 0.32 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.517 179.276 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 515' ' ' PHE . . . . . 0.611 ' CE2' HD22 ' A' ' 524' ' ' LEU . 8.5 m-85 -76.67 -32.24 57.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.485 -178.222 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 15.8 pttp -96.79 27.49 3.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.53 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -130.8 122.75 27.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.57 -177.807 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . 61.27 44.94 97.45 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 177.243 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 519' ' ' LEU . . . . . . . . . . . . . 63.6 mt -48.49 169.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.77 0.319 . . . . 0.0 110.651 178.017 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 520' ' ' THR . . . . . . . . . . . . . 2.3 m 50.85 33.83 9.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.586 179.314 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 57.0 tt0 -145.96 162.8 37.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.443 179.663 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 522' ' ' CYS . . . . . 0.666 ' O ' ' CG ' ' A' ' 523' ' ' HIS . 0.8 OUTLIER -60.12 126.04 25.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.562 178.566 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 523' ' ' HIS . . . . . 0.666 ' CG ' ' O ' ' A' ' 522' ' ' CYS . 29.0 m-70 -170.24 -80.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.719 -179.116 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 524' ' ' LEU . . . . . 0.704 ' O ' ' HB2' ' A' ' 528' ' ' ARG . 14.2 mt -47.0 -32.1 3.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.694 177.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 525' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -56.61 -42.85 79.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.718 -177.704 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 526' ' ' GLN . . . . . 0.447 HE22 ' HB3' ' A' ' 491' ' ' GLU . 74.9 mt-30 -104.76 -7.14 19.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.54 -179.245 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 527' ' ' LEU . . . . . 0.533 ' O ' HG22 ' A' ' 532' ' ' VAL . 17.4 mt -105.78 -28.97 10.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.559 -176.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 528' ' ' ARG . . . . . 0.704 ' HB2' ' O ' ' A' ' 524' ' ' LEU . 0.0 OUTLIER -68.18 -41.16 24.58 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.31 -177.225 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 529' ' ' PRO . . . . . 0.681 ' CD ' ' N ' ' A' ' 528' ' ' ARG . 32.5 Cg_exo -56.52 -47.2 25.04 Favored 'Trans proline' 0 C--N 1.305 -1.722 0 C-N-CA 122.911 2.407 . . . . 0.0 112.272 -179.08 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 530' ' ' LEU . . . . . 0.505 ' HB2' HG13 ' A' ' 532' ' ' VAL . 87.4 mt -68.28 -6.8 25.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.664 -179.248 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 28.6 mtmt 61.08 26.65 16.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.533 178.746 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 532' ' ' VAL . . . . . 0.695 ' O ' HG23 ' A' ' 532' ' ' VAL . 22.0 m -75.73 108.93 8.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.606 179.346 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 87.8 mtt-85 -95.01 -16.43 22.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.384 -179.543 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 534' ' ' ALA . . . . . 0.646 ' HB2' ' HA ' ' A' ' 558' ' ' PRO . . . -129.42 138.47 51.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.155 -179.598 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 535' ' ' ASN . . . . . 0.424 ' HB2' HD11 ' A' ' 514' ' ' ILE . 30.4 t30 -127.71 117.31 21.7 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.641 -0.424 . . . . 0.0 111.144 179.525 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 536' ' ' LEU . . . . . . . . . . . . . 43.4 tp -130.69 129.13 42.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.919 178.166 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 64.7 t -130.41 146.62 33.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.068 0.461 . . . . 0.0 111.162 -178.652 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 538' ' ' VAL . . . . . . . . . . . . . 33.0 m -138.8 131.52 15.84 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.093 178.487 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 539' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -73.01 132.85 18.84 Favored 'Trans proline' 0 C--N 1.304 -1.788 0 C-N-CA 122.761 2.307 . . . . 0.0 112.438 -175.172 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 540' ' ' MET . . . . . 0.531 ' SD ' ' O ' ' A' ' 573' ' ' ALA . 5.5 ttt -125.45 119.36 28.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.087 176.575 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 541' ' ' VAL . . . . . . . . . . . . . 26.2 m . . . . . 0 C--N 1.329 -0.315 0 CA-C-O 120.94 0.4 . . . . 0.0 111.103 -176.055 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 546' ' ' LEU . . . . . 0.416 HD21 ' CZ ' ' A' ' 465' ' ' PHE . 12.5 tp . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.814 0.34 . . . . 0.0 110.607 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 547' ' ' PHE . . . . . 0.414 ' CE2' ' CD2' ' A' ' 580' ' ' LEU . 60.4 t80 -115.0 -53.4 2.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.505 -179.08 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -171.17 -177.94 41.33 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -178.619 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 549' ' ' LEU . . . . . . . . . . . . . 4.0 mp -141.13 144.15 34.69 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.807 0.337 . . . . 0.0 110.602 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -96.95 125.98 41.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.283 178.13 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 551' ' ' ILE . . . . . 0.855 HD11 ' CE1' ' A' ' 463' ' ' TYR . 5.6 mt -117.45 139.52 44.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.965 0.412 . . . . 0.0 110.882 -178.582 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -124.26 114.51 19.69 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.156 178.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 553' ' ' HIS . . . . . 0.532 ' CE1' ' CG2' ' A' ' 551' ' ' ILE . 51.9 m80 -109.93 127.92 55.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.872 179.655 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 554' ' ' GLN . . . . . 0.585 ' H ' ' HB3' ' A' ' 534' ' ' ALA . 34.5 tt0 -89.17 117.98 28.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.591 175.151 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -90.91 -6.23 54.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.508 -176.787 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 556' ' ' SER . . . . . . . . . . . . . 89.3 p -95.46 -32.35 12.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.489 -178.073 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 557' ' ' GLU . . . . . 0.453 ' O ' ' OE1' ' A' ' 554' ' ' GLN . 2.6 pt-20 174.15 151.07 0.25 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.369 -178.423 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 558' ' ' PRO . . . . . 0.646 ' HA ' ' HB2' ' A' ' 534' ' ' ALA . 56.0 Cg_endo -72.05 125.34 10.83 Favored 'Trans proline' 0 C--N 1.304 -1.78 0 C-N-CA 122.803 2.336 . . . . 0.0 112.184 178.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 559' ' ' ARG . . . . . 0.433 ' NH1' ' O ' ' A' ' 455' ' ' LEU . 10.8 ptm180 -117.86 141.02 48.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.314 -177.232 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 560' ' ' GLN . . . . . . . . . . . . . 44.9 tp60 -78.52 117.12 19.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.679 176.3 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 561' ' ' TRP . . . . . 0.781 ' CD1' ' HB1' ' A' ' 510' ' ' ALA . 0.9 OUTLIER -58.96 145.56 41.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.355 -176.986 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.11 139.0 31.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.821 177.867 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 563' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -46.65 -42.63 16.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.478 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 564' ' ' ILE . . . . . . . . . . . . . 1.2 mt -74.13 -34.67 38.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.553 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 -65.94 -36.73 84.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.552 -179.126 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 566' ' ' ILE . . . . . 0.562 HD11 ' CB ' ' A' ' 561' ' ' TRP . 44.5 mm -66.03 -48.48 81.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.659 179.706 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -62.41 -47.93 81.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.624 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 568' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -61.92 -44.53 96.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.574 -179.296 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 569' ' ' PHE . . . . . 0.565 ' CD1' HD11 ' A' ' 455' ' ' LEU . 52.5 t80 -66.81 -44.44 81.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.516 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 20.3 m -58.97 -36.67 75.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.474 177.8 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 82.8 mt-10 -61.35 -39.1 89.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.525 177.51 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 13.7 tp -57.99 -44.13 86.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.456 178.703 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 573' ' ' ALA . . . . . 0.531 ' O ' ' SD ' ' A' ' 540' ' ' MET . . . -65.98 -44.67 84.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.454 179.385 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 574' ' ' SER . . . . . . . . . . . . . 21.5 t -58.61 -31.77 68.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.495 179.285 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 20.7 m -61.96 -44.83 95.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.583 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -47.15 -38.32 11.44 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 178.464 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 18.7 m -56.43 -39.24 72.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.748 0.309 . . . . 0.0 110.541 178.324 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 57.6 mt -56.55 -49.56 74.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.601 178.08 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 94.1 t -73.77 -52.0 22.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.541 -179.416 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 580' ' ' LEU . . . . . 0.501 ' O ' ' N ' ' A' ' 584' ' ' HIS . 8.5 mp -52.61 -49.6 64.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.507 -179.573 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -56.01 -36.28 67.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.707 -179.682 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 582' ' ' ARG . . . . . . . . . . . . . 59.5 ttm-85 -73.7 -49.22 26.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.715 -179.35 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 62.4 mt -77.29 -49.84 14.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.67 -178.595 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 584' ' ' HIS . . . . . 0.501 ' N ' ' O ' ' A' ' 580' ' ' LEU . 81.8 t60 -47.47 -43.78 24.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.659 -178.651 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 585' ' ' PHE . . . . . 0.473 ' O ' HG23 ' A' ' 589' ' ' THR . 31.4 m-85 -82.1 -52.62 6.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.63 -179.604 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 49.5 tp -56.99 -47.43 80.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.72 -178.653 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 587' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -59.9 -43.71 94.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.669 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 588' ' ' GLN . . . . . 0.548 ' OE1' ' N ' ' A' ' 588' ' ' GLN . 2.3 mp0 -67.32 -50.52 59.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.712 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 589' ' ' THR . . . . . 0.473 HG23 ' O ' ' A' ' 585' ' ' PHE . 47.4 p -57.57 -32.74 67.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.636 -179.353 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 590' ' ' ILE . . . . . . . . . . . . . 2.2 mm . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.537 -179.554 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 439' ' ' ASP . . . . . 0.444 ' OD1' ' N ' ' A' ' 440' ' ' ARG . 56.0 t0 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.73 0.3 . . . . 0.0 110.624 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 440' ' ' ARG . . . . . 0.444 ' N ' ' OD1' ' A' ' 439' ' ' ASP . 74.2 ttt180 -55.64 -37.32 68.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.561 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 39.9 mm-40 -69.79 -35.89 75.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.694 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -55.86 -54.73 41.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.573 -179.196 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 24.9 pt -59.37 -30.76 44.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.76 -178.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 444' ' ' PHE . . . . . 0.401 ' CD1' HG11 ' A' ' 474' ' ' VAL . 6.5 m-85 -78.48 -49.33 13.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.678 -179.593 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -56.28 -24.82 45.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.714 179.533 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 446' ' ' THR . . . . . 0.496 ' O ' ' HB3' ' A' ' 449' ' ' ALA . 72.1 m -71.34 -59.59 2.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.56 -179.415 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 447' ' ' LEU . . . . . 0.404 ' C ' ' O ' ' A' ' 446' ' ' THR . 16.0 mt -39.27 -57.42 1.36 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.577 -179.264 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 448' ' ' VAL . . . . . . . . . . . . . 6.0 p -58.35 -37.57 64.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.619 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 449' ' ' ALA . . . . . 0.496 ' HB3' ' O ' ' A' ' 446' ' ' THR . . . -55.94 -43.67 77.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.666 179.161 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 450' ' ' LYS . . . . . . . . . . . . . 80.2 mttt -74.27 -37.86 63.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.639 178.304 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . -50.73 -52.66 28.86 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.114 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 452' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -61.74 -38.78 89.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.729 0.299 . . . . 0.0 110.528 -178.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -74.13 -40.7 62.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.629 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 33.1 mt -67.55 -55.77 12.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.613 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 455' ' ' LEU . . . . . 0.575 HD11 ' CD1' ' A' ' 569' ' ' PHE . 93.5 mt -71.05 -25.14 62.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.584 179.69 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . 59.59 44.48 14.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.694 -176.443 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 457' ' ' CYS . . . . . 0.679 ' CB ' HE22 ' A' ' 554' ' ' GLN . 82.5 m -93.03 -159.1 0.65 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.47 -179.396 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 458' ' ' ASP . . . . . 0.469 ' N ' ' OE1' ' A' ' 554' ' ' GLN . 51.2 t0 -115.12 -28.75 6.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.627 -178.129 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 459' ' ' ARG . . . . . 0.403 HH12 ' HB3' ' A' ' 482' ' ' TRP . 26.4 ttm-85 -148.43 143.91 27.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.775 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 460' ' ' VAL . . . . . . . . . . . . . 62.0 t -148.0 143.74 19.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.292 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 461' ' ' ILE . . . . . . . . . . . . . 15.0 pt -140.16 148.9 22.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.931 -179.682 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 462' ' ' VAL . . . . . . . . . . . . . 40.6 t -111.97 133.35 57.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.398 178.688 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 463' ' ' TYR . . . . . 0.856 ' CE1' HD11 ' A' ' 551' ' ' ILE . 1.4 p90 -146.88 145.28 29.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.745 -178.812 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 464' ' ' ALA . . . . . 0.555 ' O ' HG22 ' A' ' 472' ' ' THR . . . -135.57 163.47 30.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.343 178.279 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 465' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -96.75 101.18 12.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.555 -178.574 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 466' ' ' ASP . . . . . 0.554 ' CG ' ' H ' ' A' ' 467' ' ' ASP . 31.1 t0 -73.12 -159.63 0.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.561 178.546 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 467' ' ' ASP . . . . . 0.554 ' H ' ' CG ' ' A' ' 466' ' ' ASP . 79.6 m-20 -91.71 15.61 12.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.512 -179.392 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 468' ' ' ASN . . . . . 0.449 ' O ' HG23 ' A' ' 470' ' ' VAL . 0.7 OUTLIER -125.0 21.71 8.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.625 -178.909 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 469' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 52.27 16.76 0.63 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.609 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 470' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 468' ' ' ASN . 41.6 t -110.15 136.5 45.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.524 179.77 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 471' ' ' GLY . . . . . 0.632 ' HA3' HD11 ' A' ' 490' ' ' ILE . . . -66.16 88.99 0.13 Allowed Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.904 -0.879 . . . . 0.0 110.904 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 472' ' ' THR . . . . . 0.555 HG22 ' O ' ' A' ' 464' ' ' ALA . 0.1 OUTLIER -47.72 133.82 13.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.774 0.321 . . . . 0.0 110.613 179.876 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 473' ' ' VAL . . . . . . . . . . . . . 4.1 t -76.44 89.06 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.501 -179.176 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 474' ' ' VAL . . . . . 0.401 HG11 ' CD1' ' A' ' 444' ' ' PHE . 2.9 t -73.08 -69.05 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.643 178.898 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -151.28 141.33 22.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.508 178.831 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 476' ' ' GLU . . . . . 0.42 ' OE2' ' HB3' ' A' ' 485' ' ' ALA . 4.4 tp10 -123.89 130.8 53.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.602 179.415 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 9.8 t -132.61 114.92 14.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.493 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 478' ' ' VAL . . . . . 0.494 ' O ' HG23 ' A' ' 478' ' ' VAL . 12.9 m -124.33 127.12 72.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.567 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 479' ' ' ALA . . . . . . . . . . . . . . . -57.82 168.57 0.89 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.541 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -61.75 144.15 55.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.541 -179.283 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 102.22 -31.0 9.21 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 178.115 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 482' ' ' TRP . . . . . 0.403 ' HB3' HH12 ' A' ' 459' ' ' ARG . 21.2 m95 -98.86 144.39 28.09 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 120.939 0.4 . . . . 0.0 110.671 178.848 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 483' ' ' PRO . . . . . 0.429 ' CD ' ' NZ ' ' A' ' 531' ' ' LYS . 59.9 Cg_endo -73.72 169.77 21.58 Favored 'Trans proline' 0 C--N 1.305 -1.763 0 C-N-CA 122.808 2.338 . . . . 0.0 112.094 -179.351 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 28.7 mm100 -78.73 112.3 15.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.632 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 485' ' ' ALA . . . . . 0.42 ' HB3' ' OE2' ' A' ' 476' ' ' GLU . . . -77.2 -10.16 59.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.552 -179.521 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 486' ' ' ARG . . . . . . . . . . . . . 65.5 ttt180 -53.53 -32.05 48.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.552 -179.547 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 487' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -71.46 -11.61 60.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.565 -179.196 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 92.1 mt-30 -105.01 117.77 34.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.542 -179.702 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 489' ' ' VAL . . . . . . . . . . . . . 59.2 t -102.3 117.41 47.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.495 179.116 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 490' ' ' ILE . . . . . 0.632 HD11 ' HA3' ' A' ' 471' ' ' GLY . 5.5 pt -52.0 114.62 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.576 -179.478 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 79.0 tt0 -79.35 -33.36 43.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.587 -179.705 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 492' ' ' ASP . . . . . . . . . . . . . 37.1 t0 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.629 -179.481 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 57.6 m-85 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.781 0.324 . . . . 0.0 110.53 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 56.1 ttp180 -59.47 -16.65 25.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.588 -179.302 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -103.76 -2.84 25.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.615 -179.255 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . 83.45 36.38 14.5 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -179.538 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 507' ' ' ARG . . . . . . . . . . . . . 60.9 ttm-85 -73.85 147.27 43.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.79 0.329 . . . . 0.0 110.541 -179.564 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 6.7 pt -107.29 123.36 62.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.601 178.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 509' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -113.01 118.28 34.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.53 -178.673 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 510' ' ' ALA . . . . . 0.791 ' HB1' ' CD1' ' A' ' 561' ' ' TRP . . . -128.79 102.3 6.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.598 178.498 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 511' ' ' THR . . . . . . . . . . . . . 4.1 m -110.4 105.46 14.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.533 -179.656 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 512' ' ' THR . . . . . . . . . . . . . 38.5 p -52.21 -20.2 2.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.592 178.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 513' ' ' ASP . . . . . 0.45 ' OD2' ' NZ ' ' A' ' 516' ' ' LYS . 4.3 p30 -168.19 116.68 0.73 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.567 -179.281 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 514' ' ' ILE . . . . . 0.575 HG22 ' O ' ' A' ' 514' ' ' ILE . 84.6 mt -68.81 -2.54 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.498 179.092 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 515' ' ' PHE . . . . . 0.558 ' CZ ' HD22 ' A' ' 524' ' ' LEU . 7.2 m-85 -75.74 -30.21 59.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.515 -178.88 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 516' ' ' LYS . . . . . 0.45 ' NZ ' ' OD2' ' A' ' 513' ' ' ASP . 49.6 mttp -90.39 27.91 1.58 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.534 179.062 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -133.22 142.64 48.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.612 -177.521 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . 40.99 46.91 4.13 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.936 -0.865 . . . . 0.0 110.936 177.417 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 519' ' ' LEU . . . . . 0.454 ' C ' ' H ' ' A' ' 521' ' ' GLU . 8.9 mt -44.77 154.88 0.12 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.754 0.311 . . . . 0.0 110.577 177.595 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 520' ' ' THR . . . . . . . . . . . . . 1.9 m 72.25 -41.83 0.52 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.589 177.647 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 521' ' ' GLU . . . . . 0.454 ' H ' ' C ' ' A' ' 519' ' ' LEU . 78.8 mt-10 -66.98 159.66 28.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.447 -179.127 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 522' ' ' CYS . . . . . 0.681 ' O ' ' CG ' ' A' ' 523' ' ' HIS . 1.2 p -62.64 130.69 46.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.544 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 523' ' ' HIS . . . . . 0.681 ' CG ' ' O ' ' A' ' 522' ' ' CYS . 38.4 m-70 -170.09 -78.68 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.638 -179.315 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 524' ' ' LEU . . . . . 0.704 ' O ' ' HB2' ' A' ' 528' ' ' ARG . 15.7 mt -45.52 -29.71 1.24 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.754 177.384 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 525' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -55.1 -44.28 74.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.72 -177.606 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 526' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -103.34 -7.52 20.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.576 -179.698 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 527' ' ' LEU . . . . . 0.619 ' O ' HG22 ' A' ' 532' ' ' VAL . 13.4 mt -104.4 -30.94 9.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.548 -177.061 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 528' ' ' ARG . . . . . 0.704 ' HB2' ' O ' ' A' ' 524' ' ' LEU . 0.0 OUTLIER -66.84 -42.69 45.04 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.331 -177.482 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 529' ' ' PRO . . . . . 0.666 ' CD ' ' N ' ' A' ' 528' ' ' ARG . 37.6 Cg_exo -55.51 -45.83 36.77 Favored 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 122.968 2.445 . . . . 0.0 112.205 -179.065 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 22.2 mt -68.04 -6.18 21.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.643 -179.344 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 531' ' ' LYS . . . . . 0.429 ' NZ ' ' CD ' ' A' ' 483' ' ' PRO . 22.6 mtmt 62.13 27.92 16.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.522 177.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 532' ' ' VAL . . . . . 0.718 ' O ' HG23 ' A' ' 532' ' ' VAL . 23.5 m -75.53 105.87 4.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.628 178.819 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 533' ' ' ARG . . . . . 0.463 ' NH1' ' O ' ' A' ' 556' ' ' SER . 89.7 mtt180 -91.82 -13.19 31.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.33 -179.659 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 534' ' ' ALA . . . . . 0.64 ' HB2' ' HA ' ' A' ' 558' ' ' PRO . . . -135.63 141.89 45.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.132 -179.751 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -128.34 119.91 25.99 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.711 -0.396 . . . . 0.0 111.254 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 536' ' ' LEU . . . . . . . . . . . . . 64.5 tp -132.5 128.1 36.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.979 177.369 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 537' ' ' VAL . . . . . 0.419 HG22 HG23 ' A' ' 551' ' ' ILE . 64.0 t -130.14 147.49 33.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.063 0.458 . . . . 0.0 111.237 -177.862 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 538' ' ' VAL . . . . . . . . . . . . . 35.3 m -139.91 132.84 15.1 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.098 178.681 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 539' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -72.52 136.48 26.12 Favored 'Trans proline' 0 C--N 1.305 -1.76 0 C-N-CA 122.778 2.319 . . . . 0.0 112.486 -175.408 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 540' ' ' MET . . . . . 0.509 ' SD ' ' O ' ' A' ' 573' ' ' ALA . 5.2 ttt -133.68 116.36 15.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.078 176.569 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 541' ' ' VAL . . . . . . . . . . . . . 31.5 m . . . . . 0 C--N 1.327 -0.384 0 CA-C-O 121.002 0.43 . . . . 0.0 111.114 -176.202 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 546' ' ' LEU . . . . . . . . . . . . . 33.3 tp . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.833 0.349 . . . . 0.0 110.639 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 547' ' ' PHE . . . . . 0.429 ' O ' ' HB1' ' A' ' 464' ' ' ALA . 69.9 t80 -114.46 -53.89 2.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.466 -179.217 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 548' ' ' GLY . . . . . 0.585 ' C ' HD12 ' A' ' 549' ' ' LEU . . . -175.2 -177.45 44.29 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 -179.223 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 549' ' ' LEU . . . . . 0.585 HD12 ' C ' ' A' ' 548' ' ' GLY . 5.3 mp -143.69 142.99 31.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.843 0.354 . . . . 0.0 110.548 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 550' ' ' LEU . . . . . 0.616 HD12 ' N ' ' A' ' 550' ' ' LEU . 7.4 mp -93.81 124.81 38.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.293 179.306 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 551' ' ' ILE . . . . . 0.856 HD11 ' CE1' ' A' ' 463' ' ' TYR . 5.2 mt -116.59 138.54 46.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.929 -178.82 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -123.96 114.16 19.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.269 178.152 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 553' ' ' HIS . . . . . 0.539 ' CE1' ' CG2' ' A' ' 551' ' ' ILE . 56.0 m80 -108.51 128.5 54.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.963 0.411 . . . . 0.0 110.803 -179.479 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 554' ' ' GLN . . . . . 0.679 HE22 ' CB ' ' A' ' 457' ' ' CYS . 4.3 tp-100 -88.01 114.76 24.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.643 174.549 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -89.0 -7.56 55.75 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.498 -176.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 556' ' ' SER . . . . . 0.463 ' O ' ' NH1' ' A' ' 533' ' ' ARG . 14.4 t -94.3 -32.42 13.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.541 -177.791 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 173.86 150.76 0.24 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.419 -178.219 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 558' ' ' PRO . . . . . 0.64 ' HA ' ' HB2' ' A' ' 534' ' ' ALA . 51.7 Cg_endo -70.22 124.58 11.03 Favored 'Trans proline' 0 C--N 1.304 -1.791 0 C-N-CA 122.751 2.301 . . . . 0.0 112.289 178.793 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 559' ' ' ARG . . . . . 0.512 ' NH2' ' OE1' ' A' ' 565' ' ' GLU . 9.0 ptm180 -117.65 140.69 49.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.372 -176.748 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 560' ' ' GLN . . . . . . . . . . . . . 39.0 tp60 -78.23 116.87 18.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.652 176.354 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 561' ' ' TRP . . . . . 0.791 ' CD1' ' HB1' ' A' ' 510' ' ' ALA . 1.0 OUTLIER -60.12 146.83 41.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.323 -177.296 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -93.01 139.16 30.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.873 177.865 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 563' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -47.41 -42.73 22.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.488 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 564' ' ' ILE . . . . . 0.402 ' N ' HD13 ' A' ' 564' ' ' ILE . 6.3 mm -74.71 -34.33 33.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.506 179.531 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 565' ' ' GLU . . . . . 0.512 ' OE1' ' NH2' ' A' ' 559' ' ' ARG . 90.1 mt-10 -68.03 -37.9 81.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.558 -179.478 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 566' ' ' ILE . . . . . 0.561 HD11 ' HB2' ' A' ' 561' ' ' TRP . 98.1 mt -68.25 -48.85 71.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.547 -179.711 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -61.64 -45.44 94.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.581 -179.609 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 568' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -64.8 -43.46 93.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.538 -179.503 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 569' ' ' PHE . . . . . 0.575 ' CD1' HD11 ' A' ' 455' ' ' LEU . 50.1 t80 -63.96 -42.49 97.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.502 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 23.1 t -60.86 -39.78 90.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.459 178.036 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 -57.34 -39.57 76.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.521 177.561 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 13.2 tp -58.77 -43.94 90.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.498 178.647 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 573' ' ' ALA . . . . . 0.509 ' O ' ' SD ' ' A' ' 540' ' ' MET . . . -65.47 -45.85 82.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.436 179.782 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 574' ' ' SER . . . . . . . . . . . . . 20.2 t -62.4 -33.55 74.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.602 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 31.9 m -53.72 -54.95 30.8 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.515 -178.681 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 576' ' ' GLY . . . . . 0.401 ' O ' HD13 ' A' ' 580' ' ' LEU . . . -52.64 -36.88 49.57 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 577' ' ' SER . . . . . 0.42 ' OG ' ' CG ' ' A' ' 540' ' ' MET . 1.9 m -59.7 -37.37 78.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.783 0.325 . . . . 0.0 110.519 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 33.9 mt -57.17 -53.21 60.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.557 -178.795 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 72.0 t -70.44 -52.77 26.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.482 -178.702 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 580' ' ' LEU . . . . . 0.401 HD13 ' O ' ' A' ' 576' ' ' GLY . 7.4 mp -50.56 -33.94 23.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.568 -179.232 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 581' ' ' GLU . . . . . 0.458 ' O ' ' CD1' ' A' ' 585' ' ' PHE . 85.9 tt0 -58.29 -55.22 37.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.629 -179.539 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 582' ' ' ARG . . . . . . . . . . . . . 93.1 mtt180 -83.31 -33.3 25.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.823 -179.167 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 583' ' ' LEU . . . . . 0.569 HD23 ' C ' ' A' ' 583' ' ' LEU . 3.5 tt -67.38 -61.23 2.01 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.651 -178.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 584' ' ' HIS . . . . . . . . . . . . . 76.9 t60 -54.67 -43.26 72.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.602 -178.825 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 585' ' ' PHE . . . . . 0.458 ' CD1' ' O ' ' A' ' 581' ' ' GLU . 9.5 m-85 -67.03 -44.77 79.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.671 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 27.7 tp -49.78 -51.21 41.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.642 179.414 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 587' ' ' GLU . . . . . 0.443 ' HA ' HD12 ' A' ' 590' ' ' ILE . 92.5 mt-10 -53.97 -35.69 62.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.635 178.656 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 588' ' ' GLN . . . . . . . . . . . . . 8.5 tp60 -62.89 -47.41 83.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.657 179.607 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 589' ' ' THR . . . . . . . . . . . . . 36.3 m -57.49 -34.1 68.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.553 -179.074 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 590' ' ' ILE . . . . . 0.443 HD12 ' HA ' ' A' ' 587' ' ' GLU . 73.4 mt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.614 -178.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 439' ' ' ASP . . . . . 0.449 ' OD1' ' N ' ' A' ' 440' ' ' ARG . 56.5 t0 . . . . . 0 CA--C 1.527 0.071 0 CA-C-O 120.8 0.333 . . . . 0.0 110.538 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 440' ' ' ARG . . . . . 0.449 ' N ' ' OD1' ' A' ' 439' ' ' ASP . 82.0 mtp180 -55.94 -34.13 65.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.602 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 45.5 mm-40 -68.94 -38.03 79.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.654 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -56.59 -54.67 43.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.714 -179.438 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 28.3 pt -60.32 -30.46 46.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.704 -179.101 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 444' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -79.56 -49.11 12.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.664 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -56.89 -23.99 48.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.74 179.532 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 446' ' ' THR . . . . . 0.487 ' O ' ' HB3' ' A' ' 449' ' ' ALA . 78.4 m -72.69 -59.49 2.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.635 -179.26 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 447' ' ' LEU . . . . . 0.406 ' HG ' ' H ' ' A' ' 447' ' ' LEU . 15.8 mt -39.19 -58.29 1.19 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.611 -179.219 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 448' ' ' VAL . . . . . 0.418 HG13 ' N ' ' A' ' 449' ' ' ALA . 7.1 p -57.43 -37.78 59.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.61 -179.739 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 449' ' ' ALA . . . . . 0.487 ' HB3' ' O ' ' A' ' 446' ' ' THR . . . -56.75 -45.09 82.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.623 179.201 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 450' ' ' LYS . . . . . . . . . . . . . 82.0 mttt -71.18 -43.62 67.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.657 178.769 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . -48.49 -48.95 27.55 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 452' ' ' ARG . . . . . . . . . . . . . 59.4 ttp180 -58.14 -42.89 86.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.826 0.346 . . . . 0.0 110.638 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -74.38 -38.09 63.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.659 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 33.5 mt -67.62 -56.49 9.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.574 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 455' ' ' LEU . . . . . 0.565 HD11 ' CE1' ' A' ' 569' ' ' PHE . 87.3 mt -70.73 -26.55 63.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.55 179.33 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . 59.56 44.16 15.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.684 -175.7 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 457' ' ' CYS . . . . . 0.588 ' SG ' ' NH1' ' A' ' 559' ' ' ARG . 65.0 m -91.38 -159.42 0.64 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.495 -179.46 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 458' ' ' ASP . . . . . 0.448 ' N ' ' NE2' ' A' ' 554' ' ' GLN . 52.7 t0 -114.87 -28.86 6.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.584 -178.282 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 459' ' ' ARG . . . . . . . . . . . . . 10.5 ttp180 -148.08 142.67 26.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.703 -179.49 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 460' ' ' VAL . . . . . 0.423 ' O ' ' O ' ' A' ' 477' ' ' SER . 39.8 t -148.83 144.2 18.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.287 179.558 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 461' ' ' ILE . . . . . . . . . . . . . 13.9 pt -143.12 152.21 16.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.869 0.366 . . . . 0.0 110.829 -178.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 462' ' ' VAL . . . . . . . . . . . . . 45.5 t -113.23 133.18 59.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.339 177.824 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 463' ' ' TYR . . . . . 0.57 ' CD1' ' C ' ' A' ' 463' ' ' TYR . 0.0 OUTLIER -144.01 145.33 32.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.744 -177.954 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 464' ' ' ALA . . . . . 0.502 ' N ' ' CD1' ' A' ' 463' ' ' TYR . . . -137.92 164.91 27.82 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.425 176.784 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 465' ' ' PHE . . . . . 0.477 ' CG ' ' O ' ' A' ' 465' ' ' PHE . 17.0 p90 -107.75 109.42 20.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.586 -179.051 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 466' ' ' ASP . . . . . 0.569 ' CG ' ' H ' ' A' ' 467' ' ' ASP . 31.2 t0 -73.63 -156.21 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.56 179.172 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 467' ' ' ASP . . . . . 0.569 ' H ' ' CG ' ' A' ' 466' ' ' ASP . 43.8 t0 -89.88 18.06 6.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.55 -179.811 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 468' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -126.49 8.14 7.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.555 -178.534 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 469' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 64.03 17.53 10.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.572 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 470' ' ' VAL . . . . . . . . . . . . . 98.3 t -103.81 135.39 41.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.614 179.577 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -63.97 106.02 1.28 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 472' ' ' THR . . . . . . . . . . . . . 63.8 m -65.73 135.91 55.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.81 0.338 . . . . 0.0 110.589 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 473' ' ' VAL . . . . . 0.445 ' H ' HG22 ' A' ' 473' ' ' VAL . 4.5 m -85.7 71.63 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.504 -179.429 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 2.8 t -60.16 -68.07 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.678 179.239 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -151.81 141.9 22.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.592 179.062 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 476' ' ' GLU . . . . . 0.519 ' OE1' ' N ' ' A' ' 486' ' ' ARG . 63.5 tt0 -127.31 134.54 50.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.521 179.215 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 477' ' ' SER . . . . . 0.423 ' O ' ' O ' ' A' ' 460' ' ' VAL . 25.1 p -132.35 113.79 13.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.474 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 478' ' ' VAL . . . . . 0.479 ' O ' HG23 ' A' ' 478' ' ' VAL . 24.7 m -123.99 127.4 73.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.684 179.741 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 479' ' ' ALA . . . . . . . . . . . . . . . -58.06 167.36 1.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.569 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -61.33 145.93 49.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.54 -179.248 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 100.35 -31.07 8.94 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 177.778 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 482' ' ' TRP . . . . . . . . . . . . . 22.4 m95 -98.5 141.12 22.4 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 120.948 0.404 . . . . 0.0 110.651 178.853 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 483' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_endo -74.49 173.23 14.64 Favored 'Trans proline' 0 C--N 1.306 -1.701 0 C-N-CA 122.845 2.363 . . . . 0.0 112.111 -179.104 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -87.54 119.78 28.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.646 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 485' ' ' ALA . . . . . 0.51 ' N ' ' OE2' ' A' ' 476' ' ' GLU . . . -75.95 -8.36 56.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.55 -179.615 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 486' ' ' ARG . . . . . 0.519 ' N ' ' OE1' ' A' ' 476' ' ' GLU . 74.3 ttt180 -50.32 -29.78 10.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.615 -179.347 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 487' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -67.8 -15.42 63.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.543 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -108.11 114.44 28.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.559 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 489' ' ' VAL . . . . . 0.629 ' O ' HG13 ' A' ' 489' ' ' VAL . 9.9 p -91.74 113.32 26.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.523 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 490' ' ' ILE . . . . . 0.41 ' H ' HG13 ' A' ' 490' ' ' ILE . 62.0 mt -45.7 103.94 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.599 179.49 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -79.37 -31.7 42.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.551 -179.655 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 492' ' ' ASP . . . . . . . . . . . . . 39.7 t0 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.541 -179.623 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.798 0.333 . . . . 0.0 110.58 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 56.7 ttp180 -54.8 -17.68 3.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.595 179.021 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -87.9 -10.07 51.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.633 179.506 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . 80.61 2.75 90.0 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.602 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 507' ' ' ARG . . . . . 0.561 ' CG ' ' H ' ' A' ' 508' ' ' ILE . 32.4 ttm180 -57.26 175.64 0.14 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.828 0.347 . . . . 0.0 110.577 -179.024 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 508' ' ' ILE . . . . . 0.561 ' H ' ' CG ' ' A' ' 507' ' ' ARG . 71.4 mt -115.16 136.03 53.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.618 -179.181 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 509' ' ' GLN . . . . . . . . . . . . . 11.3 tp-100 -112.13 119.77 39.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.567 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 510' ' ' ALA . . . . . 0.818 ' HB1' ' CD1' ' A' ' 561' ' ' TRP . . . -129.69 101.62 5.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.581 179.179 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 511' ' ' THR . . . . . . . . . . . . . 5.1 m -109.35 103.69 12.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.612 179.73 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 512' ' ' THR . . . . . . . . . . . . . 41.6 p -51.57 -20.48 1.97 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.455 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 513' ' ' ASP . . . . . 0.438 ' OD1' ' O ' ' A' ' 513' ' ' ASP . 15.3 p30 -168.81 116.47 0.66 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.563 -178.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 514' ' ' ILE . . . . . 0.59 HG22 ' O ' ' A' ' 514' ' ' ILE . 87.5 mt -68.46 -2.32 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.52 178.784 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 515' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -72.02 -29.38 64.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.548 -179.107 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 77.4 mttt -93.27 27.58 2.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.543 179.334 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -130.88 141.05 50.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.486 -177.68 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . 41.04 44.81 3.72 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 177.191 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 519' ' ' LEU . . . . . 0.548 ' C ' HG23 ' A' ' 520' ' ' THR . 2.1 mt -42.47 155.69 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.756 0.312 . . . . 0.0 110.661 177.766 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 520' ' ' THR . . . . . 0.548 HG23 ' C ' ' A' ' 519' ' ' LEU . 2.2 p 67.83 -41.7 0.44 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.622 178.08 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 521' ' ' GLU . . . . . 0.521 ' H ' ' C ' ' A' ' 519' ' ' LEU . 58.8 tt0 -66.95 162.44 21.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.391 -178.862 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 522' ' ' CYS . . . . . 0.696 ' O ' ' CG ' ' A' ' 523' ' ' HIS . 0.8 OUTLIER -58.28 124.52 19.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.544 179.326 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 523' ' ' HIS . . . . . 0.696 ' CG ' ' O ' ' A' ' 522' ' ' CYS . 23.1 m-70 -173.19 -80.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.646 -178.849 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 524' ' ' LEU . . . . . 0.509 ' O ' ' N ' ' A' ' 528' ' ' ARG . 0.6 OUTLIER -49.5 -34.87 18.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.754 178.169 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 525' ' ' ASN . . . . . . . . . . . . . 47.2 t-20 -58.42 -41.5 85.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.672 -178.15 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 526' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 -100.51 -8.7 22.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.588 -178.661 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 527' ' ' LEU . . . . . 0.487 HD13 HG21 ' A' ' 514' ' ' ILE . 17.2 mt -105.37 -24.12 12.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.58 -178.173 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 528' ' ' ARG . . . . . 0.708 ' N ' ' CD ' ' A' ' 529' ' ' PRO . 18.0 tpt180 -67.28 -39.9 23.76 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.274 -177.794 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 529' ' ' PRO . . . . . 0.708 ' CD ' ' N ' ' A' ' 528' ' ' ARG . 34.9 Cg_exo -59.66 -46.46 20.28 Favored 'Trans proline' 0 C--N 1.306 -1.69 0 C-N-CA 122.922 2.415 . . . . 0.0 112.225 -177.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 530' ' ' LEU . . . . . 0.519 ' HB2' HG13 ' A' ' 532' ' ' VAL . 49.7 mt -67.73 -8.53 36.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.704 -178.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 19.8 mtmt 62.61 27.66 16.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.474 178.167 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 532' ' ' VAL . . . . . 0.672 ' O ' HG23 ' A' ' 532' ' ' VAL . 31.2 m -76.46 108.75 9.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.671 178.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 69.0 mtp85 -95.38 -14.39 23.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.311 -179.601 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 534' ' ' ALA . . . . . 0.668 ' HB3' ' H ' ' A' ' 554' ' ' GLN . . . -131.92 139.68 48.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.1 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 29.6 t30 -127.9 118.54 23.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.921 0.391 . . . . 0.0 111.198 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 536' ' ' LEU . . . . . 0.401 ' O ' HG23 ' A' ' 551' ' ' ILE . 64.5 tp -132.89 126.69 32.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.953 176.902 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 537' ' ' VAL . . . . . 0.481 HG12 ' HD3' ' A' ' 539' ' ' PRO . 39.2 t -127.83 144.35 37.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.923 0.392 . . . . 0.0 111.237 -176.476 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 538' ' ' VAL . . . . . 0.632 HG23 ' O ' ' A' ' 538' ' ' VAL . 27.1 m -155.28 82.16 3.95 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.093 178.693 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 539' ' ' PRO . . . . . 0.481 ' HD3' HG12 ' A' ' 537' ' ' VAL . 78.7 Cg_endo -87.22 137.73 4.51 Favored 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.807 2.338 . . . . 0.0 112.445 -176.463 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 540' ' ' MET . . . . . 0.533 ' SD ' ' O ' ' A' ' 573' ' ' ALA . 5.9 ptt? -92.67 150.28 20.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.101 177.182 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 541' ' ' VAL . . . . . . . . . . . . . 20.5 m . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.148 -176.484 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 546' ' ' LEU . . . . . 0.751 HD12 ' N ' ' A' ' 546' ' ' LEU . 6.7 mp . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.801 0.334 . . . . 0.0 110.575 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 547' ' ' PHE . . . . . 0.479 ' CE1' HD21 ' A' ' 580' ' ' LEU . 2.2 t80 -116.72 -37.17 3.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.55 -179.338 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -156.73 161.26 30.88 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 -178.75 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 549' ' ' LEU . . . . . 0.499 HD12 ' N ' ' A' ' 549' ' ' LEU . 1.4 mp -137.44 114.5 10.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.813 0.339 . . . . 0.0 110.623 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 550' ' ' LEU . . . . . 0.574 HD12 ' N ' ' A' ' 550' ' ' LEU . 10.4 mp -94.35 113.54 25.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.292 179.441 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 551' ' ' ILE . . . . . 0.513 ' CG2' ' CE1' ' A' ' 553' ' ' HIS . 9.8 mt -118.66 139.35 46.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.916 -178.268 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -124.83 116.53 22.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.195 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 553' ' ' HIS . . . . . 0.513 ' CE1' ' CG2' ' A' ' 551' ' ' ILE . 48.1 m80 -109.94 128.62 55.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.905 0.383 . . . . 0.0 110.822 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 554' ' ' GLN . . . . . 0.668 ' H ' ' HB3' ' A' ' 534' ' ' ALA . 23.3 tp60 -88.24 112.78 23.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.65 174.755 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -87.62 -7.34 57.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.452 -176.501 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 556' ' ' SER . . . . . . . . . . . . . 86.0 p -94.26 -31.4 14.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.477 -177.851 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 173.3 150.13 0.23 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.364 -178.595 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 558' ' ' PRO . . . . . 0.586 ' HA ' ' HB2' ' A' ' 534' ' ' ALA . 52.1 Cg_endo -70.05 125.11 11.62 Favored 'Trans proline' 0 C--N 1.305 -1.72 0 C-N-CA 122.826 2.351 . . . . 0.0 112.188 179.02 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 559' ' ' ARG . . . . . 0.588 ' NH1' ' SG ' ' A' ' 457' ' ' CYS . 15.6 ptm180 -117.19 140.17 49.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.349 -176.392 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 560' ' ' GLN . . . . . . . . . . . . . 36.4 tp60 -78.57 116.19 18.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.638 176.239 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 561' ' ' TRP . . . . . 0.818 ' CD1' ' HB1' ' A' ' 510' ' ' ALA . 0.9 OUTLIER -59.99 136.7 58.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.337 -177.161 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.4 138.81 35.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.836 177.843 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 563' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -47.37 -43.23 23.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.48 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 564' ' ' ILE . . . . . 0.451 ' N ' HD13 ' A' ' 564' ' ' ILE . 5.0 mm -74.07 -35.03 40.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.584 179.463 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -67.52 -37.01 82.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.558 -179.489 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 566' ' ' ILE . . . . . 0.556 HD11 ' HB2' ' A' ' 561' ' ' TRP . 96.7 mt -66.61 -50.19 68.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.68 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 61.8 t0 -61.77 -45.83 92.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.59 -179.543 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 568' ' ' GLN . . . . . 0.596 ' O ' ' HG2' ' A' ' 571' ' ' GLU . 51.5 mt-30 -63.39 -45.97 88.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.57 -179.266 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 569' ' ' PHE . . . . . 0.565 ' CE1' HD11 ' A' ' 455' ' ' LEU . 47.5 t80 -62.74 -42.71 99.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.495 -179.466 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 84.4 p -61.61 -27.75 68.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.483 178.838 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 571' ' ' GLU . . . . . 0.596 ' HG2' ' O ' ' A' ' 568' ' ' GLN . 3.9 pt-20 -66.49 -39.24 88.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.478 179.142 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 572' ' ' LEU . . . . . 0.584 ' N ' ' HG2' ' A' ' 571' ' ' GLU . 12.9 tp -59.1 -43.98 91.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.551 179.105 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 573' ' ' ALA . . . . . 0.533 ' O ' ' SD ' ' A' ' 540' ' ' MET . . . -65.58 -45.65 82.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.468 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 574' ' ' SER . . . . . . . . . . . . . 85.2 p -61.68 -32.01 72.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.529 179.701 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 31.9 m -56.34 -53.5 56.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.579 -179.042 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 576' ' ' GLY . . . . . 0.506 ' O ' ' N ' ' A' ' 580' ' ' LEU . . . -53.07 -38.77 56.48 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 19.0 p -58.73 -28.68 66.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.765 0.316 . . . . 0.0 110.488 -179.421 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 21.4 mt -68.14 -53.46 25.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.54 -179.512 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 579' ' ' VAL . . . . . 0.593 HG13 ' N ' ' A' ' 580' ' ' LEU . 10.9 p -85.06 -45.57 17.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.528 -178.81 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 580' ' ' LEU . . . . . 0.593 ' N ' HG13 ' A' ' 579' ' ' VAL . 38.8 tp -48.82 -40.52 29.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.534 -179.55 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -67.08 -53.38 31.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.608 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 582' ' ' ARG . . . . . . . . . . . . . 52.6 mtm180 -66.73 -35.2 79.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.676 -179.559 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 50.8 tp -73.51 -56.69 4.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.636 -179.396 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 584' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -49.5 -39.17 33.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.641 -179.332 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 585' ' ' PHE . . . . . 0.43 ' CE2' HG21 ' A' ' 589' ' ' THR . 72.4 t80 -73.01 -48.59 34.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.664 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 28.1 tp -50.58 -51.36 49.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.75 179.554 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 587' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -57.94 -37.43 74.09 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.659 179.065 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 588' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -64.61 -51.57 61.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.674 -179.139 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 589' ' ' THR . . . . . 0.43 HG21 ' CE2' ' A' ' 585' ' ' PHE . 71.0 p -60.39 -30.43 69.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.58 -178.376 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 590' ' ' ILE . . . . . . . . . . . . . 35.2 mt . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.572 -179.021 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 54.6 p30 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.772 0.32 . . . . 0.0 110.615 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 68.6 ttt180 -55.5 -33.77 64.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.542 -179.701 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 42.3 mm-40 -69.98 -33.69 72.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.683 -179.685 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -57.03 -55.25 37.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.72 -179.327 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 24.5 pt -59.04 -29.14 40.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.764 -179.29 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 444' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -79.17 -49.22 12.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.617 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -56.73 -25.56 54.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.661 179.661 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 446' ' ' THR . . . . . 0.468 ' O ' ' N ' ' A' ' 449' ' ' ALA . 98.0 m -71.06 -60.26 2.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.628 -179.319 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 447' ' ' LEU . . . . . 0.462 ' H ' ' HG ' ' A' ' 447' ' ' LEU . 16.6 mt -38.42 -55.66 1.35 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.591 -179.552 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 448' ' ' VAL . . . . . . . . . . . . . 7.7 p -61.14 -35.49 66.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.674 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 449' ' ' ALA . . . . . 0.468 ' N ' ' O ' ' A' ' 446' ' ' THR . . . -59.46 -46.98 87.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.681 179.473 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 450' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -68.51 -45.44 72.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.632 178.199 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . -48.29 -47.2 28.04 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 179.189 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 452' ' ' ARG . . . . . . . . . . . . . 68.9 ttp85 -56.62 -43.81 80.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.828 0.346 . . . . 0.0 110.665 179.546 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -77.27 -38.34 51.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.655 -179.28 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 39.3 mt -66.47 -59.07 3.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.649 -179.358 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 455' ' ' LEU . . . . . 0.557 HD21 ' HB2' ' A' ' 569' ' ' PHE . 88.7 mt -71.26 -26.77 63.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.549 179.2 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . 59.5 42.47 17.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.612 -175.848 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 457' ' ' CYS . . . . . 0.525 ' SG ' ' O ' ' A' ' 459' ' ' ARG . 40.2 t -94.2 138.61 32.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.429 -178.467 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 458' ' ' ASP . . . . . 0.815 ' H ' ' NE2' ' A' ' 554' ' ' GLN . 45.0 t0 -48.7 -32.86 9.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.601 178.814 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 459' ' ' ARG . . . . . 0.59 HH21 HG12 ' A' ' 478' ' ' VAL . 21.7 mtp-105 -147.14 144.97 29.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.751 -178.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 460' ' ' VAL . . . . . . . . . . . . . 7.5 p -150.88 145.02 16.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.276 178.474 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 461' ' ' ILE . . . . . . . . . . . . . 13.9 pt -144.45 153.17 15.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.871 -178.134 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 462' ' ' VAL . . . . . . . . . . . . . 93.0 t -113.52 134.19 57.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.345 177.439 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 463' ' ' TYR . . . . . 0.547 ' O ' ' CD1' ' A' ' 463' ' ' TYR . 0.0 OUTLIER -141.32 142.28 33.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.704 -177.913 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 464' ' ' ALA . . . . . 0.543 ' O ' HG22 ' A' ' 472' ' ' THR . . . -136.47 164.32 28.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.346 177.666 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 465' ' ' PHE . . . . . 0.487 ' O ' ' CD2' ' A' ' 465' ' ' PHE . 13.3 p90 -100.51 104.39 15.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.539 -179.178 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 466' ' ' ASP . . . . . 0.575 ' CG ' ' H ' ' A' ' 467' ' ' ASP . 35.9 t0 -72.45 -159.37 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.496 179.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 467' ' ' ASP . . . . . 0.575 ' H ' ' CG ' ' A' ' 466' ' ' ASP . 88.2 m-20 -92.5 14.14 17.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.618 -179.269 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 468' ' ' ASN . . . . . 0.459 ' O ' ' N ' ' A' ' 470' ' ' VAL . 0.6 OUTLIER -124.98 28.38 6.44 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.544 -178.484 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 469' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 46.83 15.77 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.629 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 470' ' ' VAL . . . . . 0.459 ' N ' ' O ' ' A' ' 468' ' ' ASN . 25.3 t -108.32 133.8 52.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.582 179.132 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -65.6 98.35 0.33 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 472' ' ' THR . . . . . 0.543 HG22 ' O ' ' A' ' 464' ' ' ALA . 0.0 OUTLIER -57.23 130.83 47.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.858 0.361 . . . . 0.0 110.613 179.701 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 473' ' ' VAL . . . . . 0.422 ' H ' HG22 ' A' ' 473' ' ' VAL . 3.1 m -78.61 79.67 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.532 -179.194 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 474' ' ' VAL . . . . . 0.439 HG23 ' H ' ' A' ' 474' ' ' VAL . 2.0 t -59.07 -67.16 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.631 178.775 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -150.7 141.42 22.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.56 179.052 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 476' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -125.59 131.69 52.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.611 179.171 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 23.1 t -134.89 118.66 17.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.474 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 478' ' ' VAL . . . . . 0.59 HG12 HH21 ' A' ' 459' ' ' ARG . 4.7 m -123.78 126.64 73.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.568 179.733 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 479' ' ' ALA . . . . . 0.499 ' HB2' ' O ' ' A' ' 458' ' ' ASP . . . -57.48 169.05 0.69 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.491 179.742 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 480' ' ' GLU . . . . . 0.535 ' CD ' ' H ' ' A' ' 480' ' ' GLU . 47.9 mp0 -61.72 143.75 55.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.58 -179.149 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 100.15 -30.55 9.89 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.871 -0.892 . . . . 0.0 110.871 178.483 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 482' ' ' TRP . . . . . . . . . . . . . 13.1 m95 -100.59 146.66 32.43 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 120.964 0.412 . . . . 0.0 110.668 178.804 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 483' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -78.28 168.39 21.74 Favored 'Trans proline' 0 C--N 1.304 -1.782 0 C-N-CA 122.889 2.393 . . . . 0.0 112.093 -178.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 19.6 mm100 -80.1 117.35 20.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.681 179.701 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -76.15 -10.5 59.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.491 -179.458 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 486' ' ' ARG . . . . . . . . . . . . . 71.0 ttt180 -54.5 -31.82 56.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.606 -179.367 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 487' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -68.57 -11.79 60.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.551 -179.183 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 488' ' ' GLN . . . . . 0.635 ' OE1' HD21 ' A' ' 530' ' ' LEU . 83.4 mt-30 -105.76 116.46 31.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.516 179.784 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 489' ' ' VAL . . . . . . . . . . . . . 91.0 t -89.86 103.65 14.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.554 179.693 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 4.9 pt -51.99 116.32 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.554 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 42.7 tp10 -78.87 -24.54 44.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.551 -179.016 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 492' ' ' ASP . . . . . . . . . . . . . 43.3 t0 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.538 -179.811 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 503' ' ' TYR . . . . . 0.419 ' CD1' ' CD2' ' A' ' 549' ' ' LEU . 75.0 m-85 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.872 0.368 . . . . 0.0 110.589 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 10.9 tpp85 -62.36 -17.58 59.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.561 -179.284 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -105.81 -2.88 22.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.644 -179.098 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . 84.3 37.5 10.96 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.45 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 507' ' ' ARG . . . . . . . . . . . . . 57.4 ttt-85 -73.28 147.13 44.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.696 0.284 . . . . 0.0 110.6 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 78.9 mt -107.19 123.56 62.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.602 179.203 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 509' ' ' GLN . . . . . . . . . . . . . 48.9 tp60 -112.74 118.07 33.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.503 -179.031 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 510' ' ' ALA . . . . . 0.74 ' HB1' ' CD1' ' A' ' 561' ' ' TRP . . . -127.86 101.16 6.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.589 178.123 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 511' ' ' THR . . . . . . . . . . . . . 4.7 m -110.3 105.15 14.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.567 -179.155 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 512' ' ' THR . . . . . . . . . . . . . 37.1 p -52.41 -20.71 3.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.515 179.304 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 513' ' ' ASP . . . . . 0.508 ' N ' ' OD1' ' A' ' 513' ' ' ASP . 17.2 p-10 -168.03 117.76 0.78 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.566 -179.073 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 514' ' ' ILE . . . . . 0.604 HG22 ' O ' ' A' ' 514' ' ' ILE . 92.1 mt -70.36 -1.27 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.551 178.553 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 515' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -69.9 -29.13 66.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.544 -178.076 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 18.5 pttp -94.72 29.1 2.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.55 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -129.78 141.46 50.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.535 -177.716 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . 41.36 44.09 3.86 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 176.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 519' ' ' LEU . . . . . 0.499 HD23 ' N ' ' A' ' 519' ' ' LEU . 1.5 mt -43.1 157.71 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.854 0.359 . . . . 0.0 110.594 178.063 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 520' ' ' THR . . . . . . . . . . . . . 2.9 m 68.14 -44.36 0.5 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.579 178.363 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 521' ' ' GLU . . . . . 0.487 ' H ' ' C ' ' A' ' 519' ' ' LEU . 61.0 tt0 -65.64 160.43 22.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.518 -179.581 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 522' ' ' CYS . . . . . 0.69 ' O ' ' CG ' ' A' ' 523' ' ' HIS . 1.5 p -60.71 126.77 28.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.497 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 523' ' ' HIS . . . . . 0.69 ' CG ' ' O ' ' A' ' 522' ' ' CYS . 25.7 m-70 -172.06 -79.98 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.642 -178.569 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 524' ' ' LEU . . . . . 0.559 ' O ' ' N ' ' A' ' 528' ' ' ARG . 0.6 OUTLIER -47.76 -33.0 6.53 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.645 177.815 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 525' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -58.09 -41.52 83.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.718 -177.679 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 526' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -98.42 -8.81 26.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.6 -177.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 527' ' ' LEU . . . . . 0.62 ' O ' HG22 ' A' ' 532' ' ' VAL . 43.1 mt -106.86 -25.46 11.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.506 -178.271 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 528' ' ' ARG . . . . . 0.712 ' N ' ' CD ' ' A' ' 529' ' ' PRO . 10.0 tpt180 -66.57 -38.98 21.91 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.294 -178.098 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 529' ' ' PRO . . . . . 0.712 ' CD ' ' N ' ' A' ' 528' ' ' ARG . 31.9 Cg_exo -61.04 -44.81 22.38 Favored 'Trans proline' 0 C--N 1.305 -1.718 0 C-N-CA 122.983 2.455 . . . . 0.0 112.184 -178.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 530' ' ' LEU . . . . . 0.635 HD21 ' OE1' ' A' ' 488' ' ' GLN . 76.5 mt -70.64 -8.28 50.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.689 -179.383 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 531' ' ' LYS . . . . . 0.52 ' HZ2' ' C ' ' A' ' 530' ' ' LEU . 5.3 mtmp? 64.91 26.83 12.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.605 178.656 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 532' ' ' VAL . . . . . 0.661 ' O ' HG23 ' A' ' 532' ' ' VAL . 31.0 m -76.46 109.18 10.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.647 179.064 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 86.3 mtt180 -100.81 -14.4 18.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.434 -179.651 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 534' ' ' ALA . . . . . 0.677 ' HB2' ' HA ' ' A' ' 558' ' ' PRO . . . -127.83 136.93 52.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.141 -179.637 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 23.3 t30 -127.75 117.26 21.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.937 0.399 . . . . 0.0 111.178 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 536' ' ' LEU . . . . . . . . . . . . . 52.7 tp -130.47 128.31 40.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.988 178.206 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 50.5 t -131.07 147.62 33.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.999 0.428 . . . . 0.0 111.19 -178.089 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 538' ' ' VAL . . . . . 0.409 ' O ' HG23 ' A' ' 538' ' ' VAL . 18.4 m -139.69 132.17 15.08 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.057 178.543 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 539' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -72.83 137.32 26.84 Favored 'Trans proline' 0 C--N 1.304 -1.79 0 C-N-CA 122.734 2.289 . . . . 0.0 112.535 -175.54 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 540' ' ' MET . . . . . 0.514 ' SD ' ' O ' ' A' ' 573' ' ' ALA . 2.9 ttt -128.37 119.57 25.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.119 176.625 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 541' ' ' VAL . . . . . . . . . . . . . 23.4 m . . . . . 0 C--N 1.329 -0.303 0 CA-C-O 121.029 0.443 . . . . 0.0 111.093 -176.024 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 546' ' ' LEU . . . . . . . . . . . . . 16.4 tp . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.91 0.386 . . . . 0.0 110.536 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 547' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -110.22 -51.06 2.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.465 -178.829 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -171.58 -178.8 42.21 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.914 -0.875 . . . . 0.0 110.914 -178.821 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 549' ' ' LEU . . . . . 0.459 HD12 ' N ' ' A' ' 549' ' ' LEU . 3.5 mp -139.1 139.93 37.83 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.825 0.345 . . . . 0.0 110.545 -179.388 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 550' ' ' LEU . . . . . 0.684 HD12 ' N ' ' A' ' 550' ' ' LEU . 7.3 mp -93.27 124.68 37.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.317 178.58 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 551' ' ' ILE . . . . . 0.508 ' CG2' ' CE1' ' A' ' 553' ' ' HIS . 4.7 mt -118.49 139.59 45.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.948 0.404 . . . . 0.0 110.836 -177.558 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -126.06 118.2 24.81 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.195 178.867 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 553' ' ' HIS . . . . . 0.508 ' CE1' ' CG2' ' A' ' 551' ' ' ILE . 47.1 m80 -111.99 129.39 56.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.825 -179.689 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 554' ' ' GLN . . . . . 0.815 ' NE2' ' H ' ' A' ' 458' ' ' ASP . 22.4 tp60 -89.95 118.01 29.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.649 174.556 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 555' ' ' ALA . . . . . 0.562 ' HB2' ' HD3' ' A' ' 459' ' ' ARG . . . -90.56 -5.5 55.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.514 -176.594 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 556' ' ' SER . . . . . . . . . . . . . 7.5 t -96.04 -31.26 13.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.5 -178.058 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 173.72 149.34 0.23 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.337 -178.64 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 558' ' ' PRO . . . . . 0.677 ' HA ' ' HB2' ' A' ' 534' ' ' ALA . 43.5 Cg_endo -69.4 124.49 11.29 Favored 'Trans proline' 0 C--N 1.303 -1.819 0 C-N-CA 122.778 2.319 . . . . 0.0 112.239 178.826 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -118.18 140.43 49.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.329 -176.47 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 560' ' ' GLN . . . . . . . . . . . . . 65.3 tp60 -78.62 119.4 21.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.676 176.419 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 561' ' ' TRP . . . . . 0.74 ' CD1' ' HB1' ' A' ' 510' ' ' ALA . 0.7 OUTLIER -62.15 143.01 57.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.351 -177.536 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 74.6 mm-40 -87.66 142.06 28.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.796 177.36 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 563' ' ' GLU . . . . . . . . . . . . . 44.9 tp10 -48.48 -40.36 26.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.531 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 564' ' ' ILE . . . . . 0.773 ' N ' HD13 ' A' ' 564' ' ' ILE . 0.0 OUTLIER -75.15 -32.95 27.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.546 -179.81 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 565' ' ' GLU . . . . . 0.466 ' OE1' HD23 ' A' ' 455' ' ' LEU . 46.6 mm-40 -66.62 -37.86 85.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.605 -179.325 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 566' ' ' ILE . . . . . . . . . . . . . 97.4 mt -67.7 -47.33 80.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.648 179.746 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -64.1 -49.03 73.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.566 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 568' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -61.69 -44.19 97.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.56 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 569' ' ' PHE . . . . . 0.557 ' HB2' HD21 ' A' ' 455' ' ' LEU . 39.4 t80 -66.05 -43.6 87.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.54 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 26.7 m -59.61 -36.27 75.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.487 178.07 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -60.41 -39.48 87.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.461 177.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 15.5 tp -58.08 -44.7 87.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.516 178.753 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 573' ' ' ALA . . . . . 0.514 ' O ' ' SD ' ' A' ' 540' ' ' MET . . . -64.98 -45.13 86.95 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.489 179.691 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 574' ' ' SER . . . . . . . . . . . . . 23.0 t -57.94 -30.15 65.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.533 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 25.6 m -62.1 -44.81 95.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.611 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -49.33 -39.97 29.43 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 178.805 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 29.6 m -55.7 -40.24 72.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.763 0.316 . . . . 0.0 110.579 179.046 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 45.9 mt -55.22 -48.98 73.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.589 178.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 579' ' ' VAL . . . . . 0.411 ' O ' ' CB ' ' A' ' 583' ' ' LEU . 88.3 t -72.96 -57.19 7.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.514 -178.733 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 580' ' ' LEU . . . . . 0.433 ' O ' ' CB ' ' A' ' 584' ' ' HIS . 9.8 mp -50.18 -47.81 54.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.565 -178.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -47.15 -70.46 0.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.651 -179.574 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 582' ' ' ARG . . . . . . . . . . . . . 80.0 mtp180 -66.23 -46.79 75.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.712 -179.176 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 583' ' ' LEU . . . . . 0.411 ' CB ' ' O ' ' A' ' 579' ' ' VAL . 39.4 tp -55.39 -59.03 5.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.613 -179.228 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 584' ' ' HIS . . . . . 0.433 ' CB ' ' O ' ' A' ' 580' ' ' LEU . 83.1 t60 -49.29 -30.48 7.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.693 -179.343 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 585' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -76.49 -50.05 14.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.647 -179.195 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 89.5 mt -62.02 -42.04 98.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.613 -179.199 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 587' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -60.82 -48.99 79.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.593 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 588' ' ' GLN . . . . . 0.478 ' OE1' ' N ' ' A' ' 588' ' ' GLN . 3.9 mp0 -69.69 -45.97 67.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.679 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 589' ' ' THR . . . . . . . . . . . . . 60.4 m -58.31 -34.44 70.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.585 -178.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 590' ' ' ILE . . . . . . . . . . . . . 11.4 mt . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.593 -179.202 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.804 0.335 . . . . 0.0 110.605 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 40.1 ttp180 -61.63 -33.01 73.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.585 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 40.9 mm-40 -69.88 -33.39 72.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.633 -179.648 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -56.33 -55.69 30.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.626 -179.117 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 20.7 pt -58.71 -32.56 46.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.687 -178.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 444' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -78.73 -50.14 11.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.654 -179.497 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -55.93 -24.44 37.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.684 179.597 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 446' ' ' THR . . . . . 0.518 ' O ' ' HB3' ' A' ' 449' ' ' ALA . 98.9 m -71.41 -59.72 2.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.728 -179.591 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 447' ' ' LEU . . . . . 0.413 ' H ' ' HG ' ' A' ' 447' ' ' LEU . 15.5 mt -38.84 -58.06 1.14 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.62 -179.743 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 448' ' ' VAL . . . . . . . . . . . . . 7.0 p -57.68 -36.99 56.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.642 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 449' ' ' ALA . . . . . 0.518 ' HB3' ' O ' ' A' ' 446' ' ' THR . . . -56.04 -43.19 77.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.681 179.325 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 450' ' ' LYS . . . . . 0.475 ' NZ ' ' CG2' ' A' ' 446' ' ' THR . 25.1 mttp -73.9 -37.05 64.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.598 178.336 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . -51.97 -52.7 33.82 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.212 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 452' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -60.41 -40.2 90.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.791 0.329 . . . . 0.0 110.623 -179.021 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -74.06 -38.91 63.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.597 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 39.0 mt -68.51 -56.85 6.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.533 179.765 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 455' ' ' LEU . . . . . 0.577 HD21 ' HB2' ' A' ' 569' ' ' PHE . 95.1 mt -70.35 -25.39 63.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.564 179.386 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . 59.66 44.06 14.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.643 -176.273 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 457' ' ' CYS . . . . . 0.577 ' C ' HE22 ' A' ' 554' ' ' GLN . 68.2 m -91.47 -159.15 0.61 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.515 -179.833 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 458' ' ' ASP . . . . . 0.471 ' N ' ' NE2' ' A' ' 554' ' ' GLN . 50.7 t0 -114.26 -27.11 7.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.668 -178.398 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 459' ' ' ARG . . . . . 0.462 HH21 ' CG1' ' A' ' 478' ' ' VAL . 74.2 mtp180 -151.44 147.41 26.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.77 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 460' ' ' VAL . . . . . 0.49 HG13 ' O ' ' A' ' 551' ' ' ILE . 18.5 t -147.94 142.46 19.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.248 179.265 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 461' ' ' ILE . . . . . . . . . . . . . 9.1 tt -137.74 141.82 37.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.84 -179.319 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 462' ' ' VAL . . . . . 0.437 ' HB ' ' H ' ' A' ' 475' ' ' ALA . 23.3 t -106.51 128.98 60.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.362 179.374 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 463' ' ' TYR . . . . . 0.449 ' CD1' ' C ' ' A' ' 463' ' ' TYR . 0.2 OUTLIER -145.92 146.68 31.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.71 -178.38 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 464' ' ' ALA . . . . . 0.496 ' O ' HG22 ' A' ' 472' ' ' THR . . . -137.77 167.27 22.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.354 178.348 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 465' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -96.01 100.6 12.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.565 -179.15 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 466' ' ' ASP . . . . . 0.564 ' CG ' ' H ' ' A' ' 467' ' ' ASP . 32.8 t0 -73.49 -159.45 0.07 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.602 178.346 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 467' ' ' ASP . . . . . 0.564 ' H ' ' CG ' ' A' ' 466' ' ' ASP . 94.5 m-20 -92.42 14.53 16.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.484 -179.528 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 468' ' ' ASN . . . . . 0.437 ' C ' ' N ' ' A' ' 470' ' ' VAL . 0.4 OUTLIER -126.57 28.24 5.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.596 -178.649 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 469' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 46.48 18.12 0.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.634 179.619 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 470' ' ' VAL . . . . . 0.437 ' N ' ' C ' ' A' ' 468' ' ' ASN . 9.9 p -108.87 141.52 23.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.55 179.512 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -71.88 86.46 0.46 Allowed Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 472' ' ' THR . . . . . 0.496 HG22 ' O ' ' A' ' 464' ' ' ALA . 0.1 OUTLIER -46.38 139.04 5.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.814 0.34 . . . . 0.0 110.56 179.639 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 473' ' ' VAL . . . . . . . . . . . . . 79.6 t -85.6 91.82 3.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.536 -179.048 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 2.4 t -75.55 -68.15 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.59 178.455 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 475' ' ' ALA . . . . . 0.437 ' H ' ' HB ' ' A' ' 462' ' ' VAL . . . -151.14 141.7 22.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.534 178.793 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 476' ' ' GLU . . . . . 0.664 ' OE2' ' HB3' ' A' ' 485' ' ' ALA . 79.1 tt0 -129.0 135.91 49.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.639 179.386 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 60.0 p -133.84 115.56 14.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.597 179.619 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 478' ' ' VAL . . . . . 0.517 ' O ' HG23 ' A' ' 478' ' ' VAL . 5.9 m -122.85 126.87 74.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.562 -179.703 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 479' ' ' ALA . . . . . . . . . . . . . . . -57.17 166.78 1.02 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.412 179.404 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 22.2 pt-20 -61.34 144.93 53.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.616 -179.308 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 100.33 -30.97 9.08 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.836 -0.906 . . . . 0.0 110.836 177.788 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 482' ' ' TRP . . . . . . . . . . . . . 28.5 m95 -97.3 141.4 22.97 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 120.928 0.394 . . . . 0.0 110.619 179.345 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 483' ' ' PRO . . . . . 0.46 ' CG ' ' HZ1' ' A' ' 531' ' ' LYS . 68.8 Cg_endo -74.68 167.56 26.83 Favored 'Trans proline' 0 C--N 1.304 -1.773 0 C-N-CA 122.824 2.349 . . . . 0.0 112.089 -179.347 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -84.22 123.99 30.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.63 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 485' ' ' ALA . . . . . 0.664 ' HB3' ' OE2' ' A' ' 476' ' ' GLU . . . -75.64 -8.79 57.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.568 -179.494 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 486' ' ' ARG . . . . . 0.414 ' N ' ' OE1' ' A' ' 476' ' ' GLU . 26.6 ttm180 -49.95 -34.52 20.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.514 -179.523 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 487' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -65.45 -18.94 65.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.519 179.706 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 488' ' ' GLN . . . . . 0.496 ' OE1' HD21 ' A' ' 530' ' ' LEU . 88.0 mt-30 -108.23 114.79 28.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.545 179.246 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 489' ' ' VAL . . . . . . . . . . . . . 83.9 t -92.42 113.5 27.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.56 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 44.1 mt -45.16 103.77 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.561 179.556 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -79.63 -31.43 41.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.587 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 492' ' ' ASP . . . . . . . . . . . . . 39.2 t0 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.581 -179.349 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.863 0.363 . . . . 0.0 110.594 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 57.1 ttp180 -54.44 -26.28 29.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.592 -179.705 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 505' ' ' GLN . . . . . 0.411 ' OE1' ' NE ' ' A' ' 507' ' ' ARG . 41.3 tt0 -83.69 -8.98 59.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.585 -179.277 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . 77.57 -7.82 37.95 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 179.736 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 507' ' ' ARG . . . . . 0.58 ' HG2' ' H ' ' A' ' 508' ' ' ILE . 15.0 ttm180 -50.39 -179.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.778 0.323 . . . . 0.0 110.552 -179.132 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 508' ' ' ILE . . . . . 0.58 ' H ' ' HG2' ' A' ' 507' ' ' ARG . 81.0 mt -120.99 147.63 24.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.561 179.769 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 509' ' ' GLN . . . . . . . . . . . . . 61.9 tp60 -122.28 122.92 40.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.545 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 510' ' ' ALA . . . . . 0.795 ' HB1' ' NE1' ' A' ' 561' ' ' TRP . . . -128.15 100.68 5.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.599 179.325 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 511' ' ' THR . . . . . . . . . . . . . 5.1 m -111.24 104.37 12.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.608 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 512' ' ' THR . . . . . . . . . . . . . 40.1 p -50.51 -20.38 1.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.474 179.488 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 513' ' ' ASP . . . . . 0.503 ' N ' ' OD1' ' A' ' 513' ' ' ASP . 9.0 p30 -168.48 118.15 0.74 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.57 -179.211 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 514' ' ' ILE . . . . . 0.569 HG22 ' O ' ' A' ' 514' ' ' ILE . 69.7 mt -71.24 -0.61 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.429 178.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 515' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -73.4 -30.19 63.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.484 -178.706 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 16.1 pttp -99.24 29.54 3.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.542 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -129.01 142.5 50.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.605 -177.423 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . 42.3 46.4 5.44 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 177.211 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 519' ' ' LEU . . . . . 0.451 HD23 ' N ' ' A' ' 519' ' ' LEU . 3.8 mt -47.48 170.4 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.793 0.33 . . . . 0.0 110.635 178.101 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 520' ' ' THR . . . . . . . . . . . . . 7.4 p 47.1 35.18 3.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.522 178.68 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 49.0 tt0 -146.32 161.74 39.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.496 179.32 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 522' ' ' CYS . . . . . 0.671 ' O ' ' CG ' ' A' ' 523' ' ' HIS . 0.8 OUTLIER -62.19 125.27 23.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.533 178.655 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 523' ' ' HIS . . . . . 0.671 ' CG ' ' O ' ' A' ' 522' ' ' CYS . 29.9 m-70 -170.96 -80.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.665 -178.668 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 524' ' ' LEU . . . . . 0.595 ' O ' ' HB2' ' A' ' 528' ' ' ARG . 0.6 OUTLIER -47.31 -32.9 5.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.568 177.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 525' ' ' ASN . . . . . . . . . . . . . 55.6 t-20 -55.68 -43.58 76.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.654 -178.074 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 526' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -102.07 -8.3 21.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.571 -179.463 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 527' ' ' LEU . . . . . 0.613 ' O ' HG22 ' A' ' 532' ' ' VAL . 14.2 mt -104.34 -29.88 10.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.602 -177.352 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 528' ' ' ARG . . . . . 0.691 ' N ' ' CD ' ' A' ' 529' ' ' PRO . 0.5 OUTLIER -66.84 -41.6 38.32 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.319 -177.474 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 529' ' ' PRO . . . . . 0.691 ' CD ' ' N ' ' A' ' 528' ' ' ARG . 31.2 Cg_exo -57.4 -45.03 37.27 Favored 'Trans proline' 0 C--N 1.304 -1.79 0 C-N-CA 122.905 2.404 . . . . 0.0 112.232 -178.61 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 530' ' ' LEU . . . . . 0.554 ' HB2' HG13 ' A' ' 532' ' ' VAL . 61.2 mt -68.41 -6.84 26.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.635 -179.664 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 531' ' ' LYS . . . . . 0.46 ' HZ1' ' CG ' ' A' ' 483' ' ' PRO . 9.3 mtmt 62.96 27.17 15.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.529 178.065 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 532' ' ' VAL . . . . . 0.708 ' O ' HG23 ' A' ' 532' ' ' VAL . 23.7 m -75.71 106.79 5.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.605 178.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -93.73 -13.51 27.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.374 -179.642 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 534' ' ' ALA . . . . . 0.648 ' HB2' ' HA ' ' A' ' 558' ' ' PRO . . . -134.31 141.05 46.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.116 -179.426 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 535' ' ' ASN . . . . . 0.401 ' HB2' HD11 ' A' ' 514' ' ' ILE . 26.7 t-20 -128.28 119.11 24.48 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.694 -0.402 . . . . 0.0 111.14 -179.658 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 536' ' ' LEU . . . . . . . . . . . . . 58.7 tp -131.58 128.02 38.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.948 177.442 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 537' ' ' VAL . . . . . 0.76 HG22 HD12 ' A' ' 551' ' ' ILE . 53.2 t -129.17 148.22 33.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.99 0.424 . . . . 0.0 111.211 -177.341 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 538' ' ' VAL . . . . . 0.624 HG23 ' O ' ' A' ' 538' ' ' VAL . 27.1 m -145.42 104.84 4.33 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.055 177.234 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 539' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -74.98 140.71 25.82 Favored 'Trans proline' 0 C--N 1.304 -1.804 0 C-N-CA 122.77 2.313 . . . . 0.0 112.462 -173.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 540' ' ' MET . . . . . . . . . . . . . 9.1 ptm -128.69 92.28 3.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.04 176.488 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 541' ' ' VAL . . . . . . . . . . . . . 26.3 m . . . . . 0 C--N 1.33 -0.276 0 CA-C-O 121.091 0.472 . . . . 0.0 111.1 -177.824 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 546' ' ' LEU . . . . . . . . . . . . . 12.8 mt . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.837 0.351 . . . . 0.0 110.573 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 547' ' ' PHE . . . . . 0.558 ' CE1' HD23 ' A' ' 580' ' ' LEU . 21.9 t80 -98.65 -63.08 1.16 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.492 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 548' ' ' GLY . . . . . 0.463 ' C ' HD12 ' A' ' 549' ' ' LEU . . . -153.66 173.8 32.32 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 549' ' ' LEU . . . . . 0.463 HD12 ' C ' ' A' ' 548' ' ' GLY . 5.0 mp -144.29 130.26 19.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.8 0.333 . . . . 0.0 110.524 -179.62 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 550' ' ' LEU . . . . . 0.668 HD12 ' N ' ' A' ' 550' ' ' LEU . 7.9 mp -93.62 117.14 29.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.303 179.293 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 551' ' ' ILE . . . . . 0.76 HD12 HG22 ' A' ' 537' ' ' VAL . 2.8 mm -113.78 137.63 46.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.851 -178.107 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -124.38 113.92 18.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.219 178.55 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 553' ' ' HIS . . . . . 0.482 ' CE1' ' CG2' ' A' ' 551' ' ' ILE . 61.9 m80 -109.19 128.63 55.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.965 0.412 . . . . 0.0 110.783 -179.505 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 554' ' ' GLN . . . . . 0.577 HE22 ' C ' ' A' ' 457' ' ' CYS . 23.5 tp60 -88.71 117.22 27.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.683 175.014 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 555' ' ' ALA . . . . . 0.402 ' H ' ' HB3' ' A' ' 458' ' ' ASP . . . -92.24 -7.11 49.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.397 -176.719 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 556' ' ' SER . . . . . . . . . . . . . 82.6 p -94.16 -31.93 13.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.467 -177.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 173.68 150.76 0.24 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.456 -178.732 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 558' ' ' PRO . . . . . 0.648 ' HA ' ' HB2' ' A' ' 534' ' ' ALA . 54.2 Cg_endo -70.65 124.07 10.38 Favored 'Trans proline' 0 C--N 1.304 -1.781 0 C-N-CA 122.823 2.349 . . . . 0.0 112.212 179.013 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 559' ' ' ARG . . . . . 0.569 ' NH1' ' SG ' ' A' ' 457' ' ' CYS . 14.3 ptm180 -116.61 139.92 49.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.356 -176.558 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 560' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -77.72 116.43 18.25 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.684 176.263 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 561' ' ' TRP . . . . . 0.795 ' NE1' ' HB1' ' A' ' 510' ' ' ALA . 1.1 m95 -59.05 145.38 42.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.344 -177.202 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -91.64 137.86 32.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.758 177.829 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 563' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -46.4 -42.89 15.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.463 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 564' ' ' ILE . . . . . 0.454 ' N ' HD13 ' A' ' 564' ' ' ILE . 5.0 mm -74.59 -35.24 37.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.517 179.653 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -67.13 -36.67 82.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.542 -179.062 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 566' ' ' ILE . . . . . 0.602 HD11 ' HB2' ' A' ' 561' ' ' TRP . 98.7 mt -69.42 -47.71 71.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.636 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -61.19 -45.46 94.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.514 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 568' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -64.89 -42.74 94.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.545 -179.448 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 569' ' ' PHE . . . . . 0.577 ' HB2' HD21 ' A' ' 455' ' ' LEU . 45.9 t80 -64.02 -42.94 96.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.559 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 24.5 t -60.74 -40.12 91.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.568 177.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 88.3 mt-10 -57.1 -40.4 76.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.512 177.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 13.6 tp -59.37 -45.24 91.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.496 178.746 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . -65.3 -45.76 83.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.46 179.581 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 574' ' ' SER . . . . . . . . . . . . . 86.2 p -62.51 -31.76 72.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.63 179.736 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 35.2 m -53.37 -55.69 22.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.528 -178.505 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -58.32 -40.08 93.54 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 -179.655 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.87 -36.6 65.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.736 0.303 . . . . 0.0 110.471 -179.076 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 94.2 mt -58.83 -52.89 63.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.577 -178.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 97.7 t -72.53 -46.12 56.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.525 -179.533 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 580' ' ' LEU . . . . . 0.558 HD23 ' CE1' ' A' ' 547' ' ' PHE . 6.0 mp -53.67 -35.63 61.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.541 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -59.47 -54.42 46.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.658 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 582' ' ' ARG . . . . . . . . . . . . . 84.1 mtm-85 -72.07 -38.51 69.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.724 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 27.7 tp -67.09 -49.29 65.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.601 -179.284 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 584' ' ' HIS . . . . . . . . . . . . . 84.2 t60 -50.04 -43.84 51.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.676 -178.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 585' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -78.41 -48.76 14.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.601 -179.064 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 27.9 tp -49.54 -51.88 33.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.669 -179.542 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 587' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -60.34 -39.32 86.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.607 179.072 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 588' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 -64.02 -53.19 53.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.694 -179.339 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 589' ' ' THR . . . . . . . . . . . . . 73.6 p -59.9 -28.88 67.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.633 -178.684 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 590' ' ' ILE . . . . . . . . . . . . . 26.9 mt . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.605 -179.341 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.756 0.312 . . . . 0.0 110.627 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -58.44 -32.0 68.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.596 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 47.7 mm-40 -68.31 -32.34 72.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.657 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -61.18 -54.46 44.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.653 -179.493 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 21.3 pt -61.03 -35.13 63.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.728 -179.444 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 444' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -77.67 -50.99 11.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.73 -179.461 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -55.96 -23.01 29.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.735 179.178 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 446' ' ' THR . . . . . 0.495 ' O ' ' HB3' ' A' ' 449' ' ' ALA . 51.5 m -72.2 -58.38 3.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.546 -179.635 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 447' ' ' LEU . . . . . 0.404 ' HG ' ' H ' ' A' ' 447' ' ' LEU . 16.5 mt -39.23 -57.62 1.32 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.609 -179.768 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 448' ' ' VAL . . . . . . . . . . . . . 6.3 p -58.01 -37.76 63.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.654 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 449' ' ' ALA . . . . . 0.495 ' HB3' ' O ' ' A' ' 446' ' ' THR . . . -56.54 -44.94 81.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.695 178.883 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 450' ' ' LYS . . . . . . . . . . . . . 56.0 mttm -71.09 -41.73 70.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.608 177.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . -49.25 -50.33 29.03 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.931 -0.867 . . . . 0.0 110.931 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 452' ' ' ARG . . . . . . . . . . . . . 68.5 ttp85 -56.85 -43.37 81.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.806 0.336 . . . . 0.0 110.627 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 14.6 tm-20 -75.87 -36.37 59.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.627 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 45.6 mt -68.6 -58.7 3.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.569 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 455' ' ' LEU . . . . . 0.569 HD11 ' CD1' ' A' ' 569' ' ' PHE . 96.3 mt -70.84 -25.22 62.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.546 179.407 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . 60.43 43.46 13.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.661 -176.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 4.9 t -91.98 -159.33 0.64 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.428 -179.745 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 458' ' ' ASP . . . . . 0.422 ' HB3' ' H ' ' A' ' 555' ' ' ALA . 44.7 t0 -115.91 -27.95 6.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.625 -178.423 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 459' ' ' ARG . . . . . . . . . . . . . 6.8 ttp180 -148.9 144.43 26.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.671 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 460' ' ' VAL . . . . . . . . . . . . . 35.4 t -148.51 144.39 18.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.285 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 461' ' ' ILE . . . . . . . . . . . . . 8.3 tt -140.73 144.15 27.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.886 0.374 . . . . 0.0 110.85 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 462' ' ' VAL . . . . . 0.423 ' HB ' ' H ' ' A' ' 475' ' ' ALA . 23.6 t -107.32 131.57 57.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.279 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 463' ' ' TYR . . . . . 0.859 ' CE1' HD11 ' A' ' 551' ' ' ILE . 1.2 p90 -146.42 144.95 30.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.772 -178.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 464' ' ' ALA . . . . . 0.527 ' O ' HG22 ' A' ' 472' ' ' THR . . . -135.4 164.08 28.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.411 179.22 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 465' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -99.27 101.73 13.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.524 -178.782 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 466' ' ' ASP . . . . . 0.504 ' OD1' HG21 ' A' ' 472' ' ' THR . 70.2 m-20 -73.89 -158.22 0.06 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.517 178.022 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 467' ' ' ASP . . . . . 0.4 ' H ' ' HB3' ' A' ' 466' ' ' ASP . 86.1 m-20 -88.85 16.86 6.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.506 -179.507 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 468' ' ' ASN . . . . . 0.419 ' C ' ' N ' ' A' ' 470' ' ' VAL . 1.2 m-20 -127.44 22.98 6.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.563 -179.067 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 469' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 48.31 18.5 0.16 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.54 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 470' ' ' VAL . . . . . 0.419 ' N ' ' C ' ' A' ' 468' ' ' ASN . 9.6 p -106.12 139.1 28.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.563 179.675 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -73.87 93.35 0.74 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 472' ' ' THR . . . . . 0.527 HG22 ' O ' ' A' ' 464' ' ' ALA . 0.1 OUTLIER -55.97 147.05 20.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.717 0.294 . . . . 0.0 110.647 179.925 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 473' ' ' VAL . . . . . . . . . . . . . 39.6 t -89.73 77.43 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.503 -179.345 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 2.3 t -60.15 -67.32 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.662 178.62 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 475' ' ' ALA . . . . . 0.423 ' H ' ' HB ' ' A' ' 462' ' ' VAL . . . -150.14 140.23 22.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.526 179.201 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 476' ' ' GLU . . . . . 0.573 ' OE2' ' N ' ' A' ' 485' ' ' ALA . 67.3 tt0 -128.64 136.13 50.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.598 179.715 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 11.6 t -135.44 116.76 14.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.492 179.467 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 478' ' ' VAL . . . . . 0.494 ' O ' HG23 ' A' ' 478' ' ' VAL . 12.4 m -122.45 127.08 74.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.581 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 479' ' ' ALA . . . . . . . . . . . . . . . -58.3 166.79 1.54 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.534 179.552 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 480' ' ' GLU . . . . . 0.544 ' CD ' ' H ' ' A' ' 480' ' ' GLU . 46.8 mp0 -61.26 144.59 53.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.555 -179.238 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 100.42 -31.1 8.91 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 177.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 482' ' ' TRP . . . . . . . . . . . . . 16.3 m95 -98.78 138.99 20.77 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 120.902 0.382 . . . . 0.0 110.711 178.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 483' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -74.17 166.61 29.16 Favored 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.824 2.349 . . . . 0.0 112.04 -179.524 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -80.11 116.21 20.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.629 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 485' ' ' ALA . . . . . 0.573 ' N ' ' OE2' ' A' ' 476' ' ' GLU . . . -76.24 -9.96 59.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.565 -179.456 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 486' ' ' ARG . . . . . 0.554 ' N ' ' OE1' ' A' ' 476' ' ' GLU . 13.1 ptm180 -51.91 -25.16 7.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.606 -179.338 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 487' ' ' ASP . . . . . . . . . . . . . 51.1 t0 -70.63 -10.39 59.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.487 -179.518 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 96.2 mm-40 -106.4 113.88 27.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.604 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 489' ' ' VAL . . . . . 0.523 HG22 ' N ' ' A' ' 490' ' ' ILE . 13.8 p -69.03 160.68 4.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.524 179.652 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 490' ' ' ILE . . . . . 0.523 ' N ' HG22 ' A' ' 489' ' ' VAL . 25.2 mm -105.12 92.73 2.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.574 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -80.54 -31.47 37.01 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.589 -177.393 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 492' ' ' ASP . . . . . . . . . . . . . 30.5 t0 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.562 -179.222 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 52.3 m-85 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.865 0.364 . . . . 0.0 110.596 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 10.5 tpp180 -61.03 -17.86 54.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.653 -179.219 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -104.24 -0.06 28.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.612 -179.254 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . 81.84 36.64 18.44 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.926 -0.869 . . . . 0.0 110.926 179.323 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 507' ' ' ARG . . . . . . . . . . . . . 24.3 ttm180 -75.84 147.82 38.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.806 0.336 . . . . 0.0 110.578 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 7.1 pt -106.5 124.76 62.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.521 179.409 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 509' ' ' GLN . . . . . . . . . . . . . 39.6 tt0 -113.6 117.8 32.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.521 -179.089 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 510' ' ' ALA . . . . . 0.733 ' HB1' ' CD1' ' A' ' 561' ' ' TRP . . . -128.35 102.63 6.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.606 178.579 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 511' ' ' THR . . . . . . . . . . . . . 4.7 m -112.49 105.21 13.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.588 -179.432 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 512' ' ' THR . . . . . . . . . . . . . 42.3 p -51.72 -19.94 1.86 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.507 179.136 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 513' ' ' ASP . . . . . 0.526 ' N ' ' OD1' ' A' ' 513' ' ' ASP . 17.9 p-10 -168.65 117.43 0.7 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.502 -179.005 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 514' ' ' ILE . . . . . 0.576 HG22 ' O ' ' A' ' 514' ' ' ILE . 68.7 mt -69.45 0.64 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.506 179.02 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 515' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -75.79 -30.13 58.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.587 -178.335 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 17.9 pttp -97.34 28.18 3.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.576 178.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -131.72 139.33 48.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.519 -177.104 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . 46.33 48.83 15.68 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 176.828 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 519' ' ' LEU . . . . . 0.409 HD23 ' N ' ' A' ' 519' ' ' LEU . 8.9 mt -58.6 159.81 6.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.785 0.326 . . . . 0.0 110.625 177.572 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 520' ' ' THR . . . . . . . . . . . . . 5.1 p 60.89 26.99 16.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.602 179.232 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -144.84 165.6 27.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.534 179.203 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 522' ' ' CYS . . . . . 0.687 ' O ' ' CG ' ' A' ' 523' ' ' HIS . 1.6 p -58.77 122.07 12.64 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.451 178.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 523' ' ' HIS . . . . . 0.687 ' CG ' ' O ' ' A' ' 522' ' ' CYS . 11.6 m170 -173.44 -81.41 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.639 -178.886 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 524' ' ' LEU . . . . . 0.53 ' O ' ' N ' ' A' ' 528' ' ' ARG . 0.7 OUTLIER -50.29 -34.79 24.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.683 178.711 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 525' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -58.1 -42.97 86.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.702 -178.196 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 526' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -98.25 -8.25 27.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.59 -178.709 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 527' ' ' LEU . . . . . 0.512 HD13 HG21 ' A' ' 514' ' ' ILE . 16.0 mt -106.01 -24.54 12.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.603 -178.179 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 528' ' ' ARG . . . . . 0.707 ' N ' ' CD ' ' A' ' 529' ' ' PRO . 14.4 tpt180 -66.2 -39.75 30.59 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.325 -177.745 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 529' ' ' PRO . . . . . 0.707 ' CD ' ' N ' ' A' ' 528' ' ' ARG . 34.9 Cg_exo -60.61 -45.45 21.4 Favored 'Trans proline' 0 C--N 1.305 -1.716 0 C-N-CA 122.875 2.383 . . . . 0.0 112.259 -178.22 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 530' ' ' LEU . . . . . 0.55 ' HB2' HG13 ' A' ' 532' ' ' VAL . 53.2 mt -68.22 -7.01 26.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.638 -178.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 22.7 mtmt 60.6 26.76 16.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.523 178.519 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 532' ' ' VAL . . . . . 0.672 ' O ' HG23 ' A' ' 532' ' ' VAL . 31.1 m -75.53 109.27 8.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.602 179.203 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 533' ' ' ARG . . . . . 0.543 ' NH1' ' O ' ' A' ' 555' ' ' ALA . 70.6 mtt85 -96.04 -16.39 21.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.448 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 534' ' ' ALA . . . . . 0.66 ' HB2' ' HA ' ' A' ' 558' ' ' PRO . . . -129.63 138.27 51.14 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.101 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 535' ' ' ASN . . . . . 0.406 ' HB2' HD11 ' A' ' 514' ' ' ILE . 39.6 t30 -128.19 118.16 22.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.9 0.381 . . . . 0.0 111.247 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 536' ' ' LEU . . . . . . . . . . . . . 43.0 tp -130.86 128.08 39.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.932 177.53 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 537' ' ' VAL . . . . . 0.423 HG22 HG23 ' A' ' 551' ' ' ILE . 59.1 t -130.5 148.21 33.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.973 0.416 . . . . 0.0 111.23 -177.844 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 538' ' ' VAL . . . . . . . . . . . . . 33.1 m -141.06 130.76 12.96 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.085 178.333 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 539' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -72.78 137.32 26.95 Favored 'Trans proline' 0 C--N 1.304 -1.768 0 C-N-CA 122.807 2.338 . . . . 0.0 112.483 -175.318 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 540' ' ' MET . . . . . 0.499 ' SD ' ' O ' ' A' ' 573' ' ' ALA . 4.6 ttp -126.8 118.92 25.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.103 176.729 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 541' ' ' VAL . . . . . . . . . . . . . 8.6 t . . . . . 0 C--N 1.329 -0.319 0 CA-C-O 121.023 0.44 . . . . 0.0 111.088 -176.024 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 546' ' ' LEU . . . . . . . . . . . . . 34.5 tp . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.758 0.313 . . . . 0.0 110.584 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 547' ' ' PHE . . . . . . . . . . . . . 73.9 t80 -112.68 -59.34 2.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.523 -179.433 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 548' ' ' GLY . . . . . 0.469 ' C ' HD12 ' A' ' 549' ' ' LEU . . . -172.61 -178.22 42.55 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 -179.233 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 549' ' ' LEU . . . . . 0.475 ' C ' HD12 ' A' ' 550' ' ' LEU . 5.1 mp -142.17 141.27 32.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.762 0.315 . . . . 0.0 110.585 -179.841 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 550' ' ' LEU . . . . . 0.617 HD12 ' N ' ' A' ' 550' ' ' LEU . 7.6 mp -95.05 125.96 40.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.331 179.245 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 551' ' ' ILE . . . . . 0.859 HD11 ' CE1' ' A' ' 463' ' ' TYR . 5.2 mt -117.53 139.81 43.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.926 0.393 . . . . 0.0 110.879 -179.256 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -124.39 114.25 19.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.192 178.386 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 553' ' ' HIS . . . . . 0.537 ' CE1' ' CG2' ' A' ' 551' ' ' ILE . 51.4 m80 -109.65 127.63 54.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.968 0.413 . . . . 0.0 110.791 179.699 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 554' ' ' GLN . . . . . 0.628 ' H ' ' HB3' ' A' ' 534' ' ' ALA . 30.2 tt0 -88.63 117.8 27.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.667 175.063 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 555' ' ' ALA . . . . . 0.543 ' O ' ' NH1' ' A' ' 533' ' ' ARG . . . -90.75 -6.32 54.56 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.514 -176.569 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 556' ' ' SER . . . . . . . . . . . . . 41.4 t -96.01 -32.59 12.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.508 -177.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 557' ' ' GLU . . . . . 0.451 ' O ' ' CD ' ' A' ' 554' ' ' GLN . 4.1 pt-20 174.62 149.71 0.25 Allowed Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.404 -178.507 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 558' ' ' PRO . . . . . 0.66 ' HA ' ' HB2' ' A' ' 534' ' ' ALA . 55.8 Cg_endo -71.49 125.7 11.48 Favored 'Trans proline' 0 C--N 1.305 -1.735 0 C-N-CA 122.748 2.299 . . . . 0.0 112.225 179.276 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 559' ' ' ARG . . . . . 0.509 ' NH1' ' O ' ' A' ' 455' ' ' LEU . 15.5 ptm180 -117.12 141.02 48.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.348 -177.008 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 560' ' ' GLN . . . . . 0.438 ' NE2' ' N ' ' A' ' 561' ' ' TRP . 35.2 tp60 -78.2 116.92 19.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.644 176.046 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 561' ' ' TRP . . . . . 0.733 ' CD1' ' HB1' ' A' ' 510' ' ' ALA . 0.9 OUTLIER -59.49 144.62 46.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.367 -177.073 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.13 138.5 31.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.771 177.696 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 563' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -46.76 -41.79 15.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.516 -179.673 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 564' ' ' ILE . . . . . . . . . . . . . 6.6 mm -73.08 -34.87 46.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.5 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -66.42 -36.82 83.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.636 -179.271 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 566' ' ' ILE . . . . . 0.56 HD11 ' CB ' ' A' ' 561' ' ' TRP . 45.7 mm -66.54 -48.84 79.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.597 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -61.69 -46.86 87.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.543 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 568' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -63.68 -43.53 96.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.481 -179.386 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 569' ' ' PHE . . . . . 0.569 ' CD1' HD11 ' A' ' 455' ' ' LEU . 40.6 t80 -65.87 -43.96 86.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.52 -179.628 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 34.7 m -59.54 -36.23 75.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.435 177.698 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 86.9 mt-10 -62.61 -39.74 94.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.481 177.496 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 14.3 tp -58.12 -44.95 88.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.507 178.622 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 573' ' ' ALA . . . . . 0.499 ' O ' ' SD ' ' A' ' 540' ' ' MET . . . -66.01 -44.24 85.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.39 179.496 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 574' ' ' SER . . . . . . . . . . . . . 23.2 t -61.87 -33.76 74.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.529 179.376 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 48.7 m -53.87 -54.58 36.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.544 -178.778 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -51.45 -36.78 39.01 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 179.611 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 2.5 m -58.85 -33.32 70.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.787 0.327 . . . . 0.0 110.547 179.636 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 31.9 mt -62.88 -54.93 31.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.623 -178.716 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 579' ' ' VAL . . . . . 0.469 HG13 ' N ' ' A' ' 580' ' ' LEU . 7.3 p -74.11 -41.08 51.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.521 -178.677 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 580' ' ' LEU . . . . . 0.469 ' N ' HG13 ' A' ' 579' ' ' VAL . 58.6 mt -57.74 -36.49 72.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.51 -179.635 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 581' ' ' GLU . . . . . 0.403 ' OE1' ' N ' ' A' ' 582' ' ' ARG . 14.3 tm-20 -59.93 -51.14 70.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.684 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 582' ' ' ARG . . . . . 0.403 ' N ' ' OE1' ' A' ' 581' ' ' GLU . 60.7 mtm180 -75.28 -36.59 61.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.644 -179.522 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 24.3 tp -72.34 -53.04 13.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.625 -179.151 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 584' ' ' HIS . . . . . 0.45 ' CB ' ' O ' ' A' ' 580' ' ' LEU . 83.4 t60 -49.59 -39.36 35.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.668 -179.268 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 585' ' ' PHE . . . . . 0.445 ' O ' HG23 ' A' ' 589' ' ' THR . 11.5 m-85 -79.6 -50.07 11.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.587 -179.448 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 35.1 tp -53.13 -49.38 66.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.653 -179.185 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 587' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -60.43 -43.22 96.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.678 179.592 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 588' ' ' GLN . . . . . 0.493 ' OE1' ' N ' ' A' ' 588' ' ' GLN . 1.4 mp0 -67.63 -50.16 59.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.647 -179.056 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 589' ' ' THR . . . . . 0.445 HG23 ' O ' ' A' ' 585' ' ' PHE . 66.2 p -59.66 -30.16 68.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.652 -178.845 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 590' ' ' ILE . . . . . . . . . . . . . 15.0 mt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.586 -179.434 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 429' ' ' MET . . . . . . . . . . . . . 72.9 mtm . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 430' ' ' ALA . . . . . 0.435 ' O ' ' O ' ' A' ' 431' ' ' ALA . . . -167.08 22.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.564 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 431' ' ' ALA . . . . . 0.435 ' O ' ' O ' ' A' ' 430' ' ' ALA . . . 58.21 119.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.566 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 432' ' ' VAL . . . . . 0.435 HG13 ' N ' ' A' ' 433' ' ' GLN . 7.7 p -51.8 -37.14 20.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.53 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 433' ' ' GLN . . . . . 0.435 ' N ' HG13 ' A' ' 432' ' ' VAL . 8.2 tp-100 -55.46 -40.34 71.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.579 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 434' ' ' LEU . . . . . 0.634 HD23 ' O ' ' A' ' 434' ' ' LEU . 1.5 tt -63.2 -46.45 86.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.623 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 22.6 m -62.66 -38.59 90.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.525 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 436' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -79.94 8.27 7.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.525 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 437' ' ' LEU . . . . . . . . . . . . . 34.1 tp -67.97 107.44 2.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.623 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 74.6 mtt85 -148.83 14.92 0.94 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.51 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 59.3 t0 -74.75 130.23 39.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.558 -179.691 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 65.8 ttt180 -55.67 -30.71 61.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.561 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 42.6 mm-40 -70.31 -31.99 69.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.694 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -56.63 -55.18 37.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.595 -179.424 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 20.7 pt -59.75 -32.32 49.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.663 -179.04 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 444' ' ' PHE . . . . . 0.457 ' CD1' HG11 ' A' ' 474' ' ' VAL . 7.7 m-85 -78.22 -50.34 12.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.658 -179.564 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -55.77 -23.2 28.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.64 179.563 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 446' ' ' THR . . . . . 0.485 ' O ' ' HB3' ' A' ' 449' ' ' ALA . 74.2 m -73.17 -58.92 2.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.68 -179.47 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 447' ' ' LEU . . . . . 0.461 ' H ' ' HG ' ' A' ' 447' ' ' LEU . 16.9 mt -39.81 -57.61 1.53 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.694 -179.291 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 448' ' ' VAL . . . . . 0.417 HG13 ' N ' ' A' ' 449' ' ' ALA . 7.5 p -57.68 -38.44 64.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.648 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 449' ' ' ALA . . . . . 0.485 ' HB3' ' O ' ' A' ' 446' ' ' THR . . . -56.11 -44.69 79.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.687 178.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 450' ' ' LYS . . . . . . . . . . . . . 49.0 mttm -71.92 -40.9 68.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.603 178.586 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . -49.2 -50.29 28.85 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 452' ' ' ARG . . . . . . . . . . . . . 66.0 ttp85 -57.51 -42.97 83.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.784 0.326 . . . . 0.0 110.631 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 39.9 tp10 -75.74 -36.49 59.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.633 -179.644 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 44.2 mt -68.92 -58.97 3.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.65 -179.692 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 455' ' ' LEU . . . . . 0.554 HD11 ' CD1' ' A' ' 569' ' ' PHE . 96.4 mt -70.02 -25.43 63.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.54 179.485 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . 60.88 42.35 13.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.648 -176.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 457' ' ' CYS . . . . . 0.549 ' SG ' ' NH1' ' A' ' 559' ' ' ARG . 97.0 m -91.29 -159.16 0.61 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.542 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 458' ' ' ASP . . . . . 0.445 ' OD2' ' OG ' ' A' ' 556' ' ' SER . 64.3 m-20 -116.01 -27.47 6.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.638 -178.569 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 459' ' ' ARG . . . . . 0.42 ' O ' ' O ' ' A' ' 553' ' ' HIS . 6.8 ttp180 -148.54 142.4 25.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.771 179.776 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 460' ' ' VAL . . . . . . . . . . . . . 60.7 t -147.91 144.48 19.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.334 -179.48 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 461' ' ' ILE . . . . . . . . . . . . . 13.5 pt -142.39 150.27 18.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.867 0.365 . . . . 0.0 110.849 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 462' ' ' VAL . . . . . . . . . . . . . 47.8 t -110.5 133.11 57.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.35 179.194 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 463' ' ' TYR . . . . . 0.889 ' CE1' HD11 ' A' ' 551' ' ' ILE . 0.9 OUTLIER -146.23 143.52 29.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.753 -178.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 464' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 472' ' ' THR . . . -135.73 164.81 27.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.388 178.633 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 465' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -104.3 103.69 13.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.611 -179.224 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 466' ' ' ASP . . . . . 0.566 ' CG ' ' H ' ' A' ' 467' ' ' ASP . 31.5 t0 -72.25 -156.96 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.598 178.808 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 467' ' ' ASP . . . . . 0.566 ' H ' ' CG ' ' A' ' 466' ' ' ASP . 84.4 m-20 -85.19 18.03 2.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.529 -179.756 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 468' ' ' ASN . . . . . . . . . . . . . 10.0 m-20 -127.25 7.67 6.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.605 -178.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 469' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 61.42 18.1 9.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.562 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 470' ' ' VAL . . . . . . . . . . . . . 89.7 t -103.4 137.96 29.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.613 179.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -62.23 97.72 0.17 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.608 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 472' ' ' THR . . . . . 0.449 ' N ' ' O ' ' A' ' 464' ' ' ALA . 50.8 m -56.62 132.43 51.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.791 0.329 . . . . 0.0 110.673 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 473' ' ' VAL . . . . . 0.441 HG22 ' H ' ' A' ' 473' ' ' VAL . 5.1 m -79.54 70.7 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.565 -179.76 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 474' ' ' VAL . . . . . 0.457 HG11 ' CD1' ' A' ' 444' ' ' PHE . 2.4 t -59.53 -66.78 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.632 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -154.56 146.01 23.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.585 179.27 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 476' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -124.91 131.76 53.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.605 179.435 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 12.2 t -133.06 115.33 14.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.529 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 478' ' ' VAL . . . . . 0.471 ' O ' HG23 ' A' ' 478' ' ' VAL . 8.9 m -125.07 128.94 73.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.638 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 479' ' ' ALA . . . . . . . . . . . . . . . -57.28 166.64 1.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.551 179.601 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -60.89 143.2 55.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.518 -179.249 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 100.85 -29.94 11.38 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.921 -0.871 . . . . 0.0 110.921 178.009 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 482' ' ' TRP . . . . . . . . . . . . . 10.4 m95 -100.88 142.33 24.41 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 120.877 0.37 . . . . 0.0 110.669 178.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 483' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -74.06 166.0 30.67 Favored 'Trans proline' 0 C--N 1.304 -1.807 0 C-N-CA 122.856 2.371 . . . . 0.0 112.078 -179.478 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -78.86 118.64 21.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.627 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -76.56 -9.94 59.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.496 -179.056 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 486' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -53.36 -23.86 10.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.581 -179.058 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 487' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -71.36 -10.25 59.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.542 -179.303 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 488' ' ' GLN . . . . . 0.591 ' OE1' HD21 ' A' ' 530' ' ' LEU . 75.4 mt-30 -108.59 115.23 29.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.526 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 489' ' ' VAL . . . . . . . . . . . . . 61.9 t -92.32 112.82 26.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.529 179.254 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 490' ' ' ILE . . . . . 0.581 HD13 H911 ' A' ' 600' ' ' PVN . 65.0 mt -46.32 105.02 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.544 -179.432 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -79.42 -33.66 42.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.561 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 492' ' ' ASP . . . . . 0.589 ' OD2' H322 ' A' ' 600' ' ' PVN . 39.5 t0 -71.21 116.49 47.46 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.591 -179.65 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 493' ' ' PRO . . . . . 0.506 ' C ' ' H ' ' A' ' 495' ' ' PHE . 85.7 Cg_endo -82.29 -27.02 2.48 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.959 2.439 . . . . 0.0 112.167 179.34 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 494' ' ' CYS . . . . . . . . . . . . . 8.1 t 60.79 -0.83 0.27 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.547 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 495' ' ' PHE . . . . . 0.506 ' H ' ' C ' ' A' ' 493' ' ' PRO . 66.5 t80 -59.14 -36.83 75.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.611 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 74.5 mtt85 -51.11 151.17 2.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.673 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 497' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 55.69 -172.8 0.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.548 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 498' ' ' HIS . . . . . . . . . . . . . 8.8 p-80 -80.03 132.03 35.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.589 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 499' ' ' TRP . . . . . 0.498 ' CZ2' ' OH ' ' A' ' 503' ' ' TYR . 4.8 t90 -171.25 -52.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.578 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 500' ' ' VAL . . . . . 0.431 HG23 ' N ' ' A' ' 501' ' ' GLU . 23.1 m -57.46 -36.86 54.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.578 179.579 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 501' ' ' GLU . . . . . 0.431 ' N ' HG23 ' A' ' 500' ' ' VAL . 96.9 mt-10 -63.92 -32.49 74.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.514 179.752 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 502' ' ' ALA . . . . . 0.428 ' O ' ' CG ' ' A' ' 505' ' ' GLN . . . -54.89 -46.97 74.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.564 -179.696 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 503' ' ' TYR . . . . . 0.498 ' OH ' ' CZ2' ' A' ' 499' ' ' TRP . 51.1 m-85 -76.99 -25.99 53.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.573 179.239 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 49.9 ttt85 -60.65 -17.8 49.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.544 -179.148 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 505' ' ' GLN . . . . . 0.428 ' CG ' ' O ' ' A' ' 502' ' ' ALA . 12.7 pt20 -107.24 -0.68 22.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.582 -178.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . 81.92 37.75 15.3 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.941 -0.863 . . . . 0.0 110.941 179.161 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 507' ' ' ARG . . . . . . . . . . . . . 24.2 ttm180 -72.17 146.03 47.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.815 0.341 . . . . 0.0 110.59 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 69.3 mt -108.1 124.83 64.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.497 179.144 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 509' ' ' GLN . . . . . 0.468 ' NE2' ' O64' ' A' ' 600' ' ' PVN . 49.1 tp60 -114.39 119.8 38.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.561 -178.796 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 510' ' ' ALA . . . . . 0.814 ' HB1' ' CD1' ' A' ' 561' ' ' TRP . . . -128.93 101.45 6.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.664 178.376 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 511' ' ' THR . . . . . . . . . . . . . 4.4 m -111.18 105.12 13.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.581 -179.595 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 512' ' ' THR . . . . . . . . . . . . . 41.4 p -52.41 -20.28 2.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.508 179.41 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 513' ' ' ASP . . . . . 0.423 ' OD1' ' O ' ' A' ' 513' ' ' ASP . 12.1 p30 -169.0 116.86 0.65 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.48 -178.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 514' ' ' ILE . . . . . 0.609 HG22 ' O ' ' A' ' 514' ' ' ILE . 84.6 mt -68.06 -0.38 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.552 179.045 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 515' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -74.8 -30.77 61.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.529 -179.151 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 85.0 mttt -95.2 28.42 2.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.562 179.144 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -133.85 139.63 46.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.479 -177.035 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . 46.53 48.86 16.6 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 176.601 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 519' ' ' LEU . . . . . 0.42 ' O ' ' OG1' ' A' ' 520' ' ' THR . 7.5 mt -59.96 159.83 8.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.814 0.34 . . . . 0.0 110.627 177.473 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 520' ' ' THR . . . . . 0.42 ' OG1' ' O ' ' A' ' 519' ' ' LEU . 5.6 p 60.58 26.66 16.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.562 179.197 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -144.91 165.9 26.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.468 179.189 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 522' ' ' CYS . . . . . 0.707 ' O ' ' CG ' ' A' ' 523' ' ' HIS . 0.8 OUTLIER -59.23 120.39 9.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.494 178.968 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 523' ' ' HIS . . . . . 0.707 ' CG ' ' O ' ' A' ' 522' ' ' CYS . 16.1 m170 -172.81 -81.22 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.665 -178.3 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 524' ' ' LEU . . . . . 0.576 ' O ' ' HB2' ' A' ' 528' ' ' ARG . 0.8 OUTLIER -50.51 -37.45 39.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.777 178.731 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 525' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 -57.15 -43.25 82.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.676 -177.004 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 526' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -96.46 -7.78 33.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.541 -178.149 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 527' ' ' LEU . . . . . 0.52 HD13 HG21 ' A' ' 514' ' ' ILE . 14.3 mt -105.09 -19.22 13.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.58 -178.331 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 528' ' ' ARG . . . . . 0.619 ' N ' ' CD ' ' A' ' 529' ' ' PRO . 0.6 OUTLIER -66.75 -46.11 55.95 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.301 -178.583 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 529' ' ' PRO . . . . . 0.619 ' CD ' ' N ' ' A' ' 528' ' ' ARG . 45.7 Cg_exo -53.99 -47.08 29.04 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.821 2.348 . . . . 0.0 112.193 -176.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 530' ' ' LEU . . . . . 0.591 HD21 ' OE1' ' A' ' 488' ' ' GLN . 87.6 mt -67.47 -7.88 29.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.673 -178.067 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 28.7 mtmt 60.84 27.44 17.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.538 178.505 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 532' ' ' VAL . . . . . 0.683 ' O ' HG23 ' A' ' 532' ' ' VAL . 25.7 m -75.82 108.78 8.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.633 179.209 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -94.93 -16.45 22.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.371 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 534' ' ' ALA . . . . . 0.65 ' HB2' ' HA ' ' A' ' 558' ' ' PRO . . . -130.93 139.18 50.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.106 -179.668 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -128.13 119.55 25.53 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.675 -0.41 . . . . 0.0 111.17 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 536' ' ' LEU . . . . . . . . . . . . . 58.8 tp -133.11 128.31 35.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.89 177.566 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 537' ' ' VAL . . . . . 0.427 HG22 HG23 ' A' ' 551' ' ' ILE . 58.6 t -130.05 147.67 33.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.059 0.457 . . . . 0.0 111.111 -177.775 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 538' ' ' VAL . . . . . . . . . . . . . 28.8 m -140.25 132.21 14.47 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.064 178.373 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 539' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -71.97 134.66 23.9 Favored 'Trans proline' 0 C--N 1.304 -1.801 0 C-N-CA 122.756 2.304 . . . . 0.0 112.5 -175.215 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 540' ' ' MET . . . . . 0.53 ' SD ' ' O ' ' A' ' 573' ' ' ALA . 7.8 ttt -130.15 117.08 19.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.105 176.664 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 541' ' ' VAL . . . . . . . . . . . . . 23.3 m -122.95 156.57 28.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.962 0.41 . . . . 0.0 111.142 -175.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 59.9 mt -127.36 129.46 70.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.158 178.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 543' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 43.37 49.48 6.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.26 -179.199 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 544' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 60.19 40.43 18.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.43 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 545' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -141.41 150.22 42.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.6 179.499 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 546' ' ' LEU . . . . . 0.402 HD12 ' HA ' ' A' ' 546' ' ' LEU . 25.3 tp -81.65 126.17 31.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.579 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 547' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -113.9 -53.49 2.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.56 -179.666 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 548' ' ' GLY . . . . . 0.448 ' C ' HD12 ' A' ' 549' ' ' LEU . . . -173.52 -178.03 43.18 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.152 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 549' ' ' LEU . . . . . 0.466 ' C ' HD12 ' A' ' 550' ' ' LEU . 4.9 mp -142.69 142.57 32.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.892 0.377 . . . . 0.0 110.548 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 550' ' ' LEU . . . . . 0.605 HD12 ' N ' ' A' ' 550' ' ' LEU . 7.7 mp -95.33 126.35 40.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.283 179.542 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 551' ' ' ILE . . . . . 0.889 HD11 ' CE1' ' A' ' 463' ' ' TYR . 4.5 mt -118.66 140.89 40.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.869 -179.144 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -124.53 114.08 18.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.229 178.148 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 553' ' ' HIS . . . . . 0.535 ' CE1' ' CG2' ' A' ' 551' ' ' ILE . 54.5 m80 -109.71 129.18 55.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.804 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 554' ' ' GLN . . . . . 0.59 ' H ' ' HB3' ' A' ' 534' ' ' ALA . 39.3 tt0 -91.88 117.11 29.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.668 174.54 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -91.25 -3.78 56.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.483 -175.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 556' ' ' SER . . . . . 0.445 ' OG ' ' OD2' ' A' ' 458' ' ' ASP . 1.5 m -97.86 -30.96 12.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.568 -178.39 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 557' ' ' GLU . . . . . 0.446 ' O ' ' CD ' ' A' ' 554' ' ' GLN . 4.7 pt-20 174.63 150.25 0.26 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.366 -178.564 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 558' ' ' PRO . . . . . 0.65 ' HA ' ' HB2' ' A' ' 534' ' ' ALA . 57.2 Cg_endo -72.5 125.84 11.02 Favored 'Trans proline' 0 C--N 1.305 -1.749 0 C-N-CA 122.785 2.323 . . . . 0.0 112.278 178.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 559' ' ' ARG . . . . . 0.549 ' NH1' ' SG ' ' A' ' 457' ' ' CYS . 16.8 ptm180 -116.22 140.77 48.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.325 -177.159 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 560' ' ' GLN . . . . . . . . . . . . . 43.2 tp60 -78.57 117.08 19.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.605 176.245 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 561' ' ' TRP . . . . . 0.814 ' CD1' ' HB1' ' A' ' 510' ' ' ALA . 1.0 OUTLIER -59.74 147.75 36.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.341 -177.068 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -94.07 139.27 31.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.801 177.816 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 563' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -47.8 -42.89 27.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.536 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 564' ' ' ILE . . . . . . . . . . . . . 5.8 mm -74.55 -35.56 38.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.529 179.564 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 88.2 mt-10 -66.03 -35.87 81.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.579 -178.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 566' ' ' ILE . . . . . . . . . . . . . 96.6 mt -67.67 -48.31 76.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.597 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 58.2 t0 -61.16 -46.23 91.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.588 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 568' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -62.18 -44.12 97.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.526 -179.51 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 569' ' ' PHE . . . . . 0.554 ' CD1' HD11 ' A' ' 455' ' ' LEU . 38.9 t80 -65.65 -42.32 91.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.502 -179.76 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 91.3 p -60.45 -32.89 71.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.556 177.588 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 62.4 mm-40 -66.02 -40.25 90.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.498 177.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 14.7 tp -57.87 -43.77 86.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.485 178.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 573' ' ' ALA . . . . . 0.53 ' O ' ' SD ' ' A' ' 540' ' ' MET . . . -66.7 -45.21 79.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.446 179.481 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 574' ' ' SER . . . . . . . . . . . . . 28.5 m -58.54 -32.1 68.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.538 179.557 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 24.0 m -61.74 -46.19 90.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.591 -179.557 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -48.09 -38.13 17.66 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 179.129 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 19.4 m -58.51 -38.62 78.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.794 0.33 . . . . 0.0 110.516 178.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 57.5 mt -55.66 -50.64 69.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.594 178.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 86.4 t -68.89 -52.67 32.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.545 -178.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 580' ' ' LEU . . . . . 0.493 ' O ' ' N ' ' A' ' 584' ' ' HIS . 95.6 mt -54.13 -43.5 70.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.491 -179.169 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -55.52 -40.53 71.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.706 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 582' ' ' ARG . . . . . . . . . . . . . 68.4 mtm180 -74.3 -50.98 16.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.665 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 583' ' ' LEU . . . . . 0.47 ' N ' HD12 ' A' ' 583' ' ' LEU . 10.8 mp -68.37 -52.68 30.43 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.652 -179.37 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 584' ' ' HIS . . . . . 0.493 ' N ' ' O ' ' A' ' 580' ' ' LEU . 83.4 t60 -46.87 -38.65 10.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.654 -179.08 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 585' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -81.96 -52.82 6.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.574 -179.245 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 39.7 mt -61.34 -44.71 96.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.712 -178.494 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 587' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -59.07 -46.86 87.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.618 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 588' ' ' GLN . . . . . 0.517 ' OE1' ' N ' ' A' ' 588' ' ' GLN . 4.1 mp0 -68.29 -46.9 69.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.733 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 589' ' ' THR . . . . . . . . . . . . . 53.1 m -58.44 -34.58 70.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.645 -178.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 590' ' ' ILE . . . . . . . . . . . . . 12.4 mt -57.1 -46.13 84.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.537 -179.185 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -61.3 -37.51 83.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.554 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 24.7 t -67.78 -16.1 63.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.532 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 30.8 tp . . . . . 0 C--O 1.219 -0.515 0 CA-C-O 118.028 -0.986 . . . . 0.0 110.651 -179.831 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 600' ' ' PVN . . . . . 0.589 H322 ' OD2' ' A' ' 492' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 429' ' ' MET . . . . . . . . . . . . . 85.6 mmm . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 430' ' ' ALA . . . . . . . . . . . . . . . -65.9 -18.75 65.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.516 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -50.23 171.77 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.575 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 432' ' ' VAL . . . . . 0.458 ' O ' HG22 ' A' ' 432' ' ' VAL . 12.7 p -94.82 -8.76 9.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.529 -179.521 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -50.38 -39.5 46.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.536 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 48.6 mt -60.57 -35.88 77.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.567 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 15.7 m -59.64 -33.2 71.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.584 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 436' ' ' GLU . . . . . . . . . . . . . 22.8 tp10 -73.23 0.71 11.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.594 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 437' ' ' LEU . . . . . . . . . . . . . 37.7 mt -101.63 110.87 22.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.573 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 50.1 ttt85 -174.48 70.94 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.541 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 439' ' ' ASP . . . . . 0.491 ' CG ' ' H ' ' A' ' 440' ' ' ARG . 42.3 t0 -163.47 -174.92 3.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.654 -179.729 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 440' ' ' ARG . . . . . 0.491 ' H ' ' CG ' ' A' ' 439' ' ' ASP . 46.3 ttp180 -54.86 -32.65 60.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.562 -179.823 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 40.4 mm-40 -69.83 -34.5 73.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.692 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -56.77 -55.22 37.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.656 -179.389 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 23.7 pt -59.21 -30.73 44.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.628 -178.684 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 444' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -79.58 -50.4 10.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.698 -179.541 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -55.94 -24.23 36.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.683 179.756 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 446' ' ' THR . . . . . 0.482 ' O ' ' HB3' ' A' ' 449' ' ' ALA . 91.1 m -72.86 -59.26 2.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.658 -179.224 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 447' ' ' LEU . . . . . 0.461 ' H ' ' HG ' ' A' ' 447' ' ' LEU . 16.4 mt -38.65 -56.59 1.3 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.568 -179.61 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 448' ' ' VAL . . . . . . . . . . . . . 4.4 p -58.09 -37.56 62.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.666 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 449' ' ' ALA . . . . . 0.482 ' HB3' ' O ' ' A' ' 446' ' ' THR . . . -57.28 -46.18 83.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.608 179.357 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 450' ' ' LYS . . . . . . . . . . . . . 50.1 mttm -70.96 -42.62 69.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.644 179.103 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . -48.34 -48.61 27.01 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 452' ' ' ARG . . . . . . . . . . . . . 70.4 ttp85 -57.75 -43.71 85.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.79 0.329 . . . . 0.0 110.607 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -74.63 -38.05 62.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.63 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 37.8 mt -67.59 -58.04 5.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.643 -179.576 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 455' ' ' LEU . . . . . 0.588 HD11 ' CD1' ' A' ' 569' ' ' PHE . 94.5 mt -70.19 -25.44 63.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.555 179.266 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . 61.06 42.72 12.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.637 -177.092 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 457' ' ' CYS . . . . . 0.59 ' SG ' ' NH1' ' A' ' 559' ' ' ARG . 98.7 m -91.47 -158.91 0.6 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.463 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -118.04 -27.15 6.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.631 -178.413 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 459' ' ' ARG . . . . . 0.627 HH11 HG12 ' A' ' 478' ' ' VAL . 12.7 ttp85 -147.99 142.24 26.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.768 179.778 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 460' ' ' VAL . . . . . . . . . . . . . 86.6 t -149.0 145.54 17.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.335 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 461' ' ' ILE . . . . . . . . . . . . . 13.1 pt -143.31 150.87 17.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.919 0.39 . . . . 0.0 110.792 -179.575 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 462' ' ' VAL . . . . . . . . . . . . . 55.9 t -109.93 131.07 61.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.366 177.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 463' ' ' TYR . . . . . 0.656 ' CD1' HD11 ' A' ' 551' ' ' ILE . 0.0 OUTLIER -144.5 144.61 31.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.638 -177.435 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 464' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 472' ' ' THR . . . -139.54 167.17 22.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.325 177.412 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 465' ' ' PHE . . . . . 0.524 ' O ' ' CD2' ' A' ' 465' ' ' PHE . 19.2 p90 -102.62 105.69 16.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.577 -179.292 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 466' ' ' ASP . . . . . 0.545 ' CG ' ' H ' ' A' ' 467' ' ' ASP . 31.3 t0 -71.58 -159.81 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.544 178.76 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 467' ' ' ASP . . . . . 0.545 ' H ' ' CG ' ' A' ' 466' ' ' ASP . 87.4 m-20 -89.19 15.33 9.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.579 -179.77 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 468' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -125.96 13.07 7.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.643 -179.178 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 469' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 59.6 17.31 6.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.546 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 470' ' ' VAL . . . . . . . . . . . . . 75.2 t -102.02 135.66 37.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.584 179.48 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -57.17 99.7 0.1 Allowed Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 472' ' ' THR . . . . . 0.443 ' N ' ' O ' ' A' ' 464' ' ' ALA . 20.3 m -55.4 132.18 47.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.827 0.346 . . . . 0.0 110.582 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 473' ' ' VAL . . . . . . . . . . . . . 42.5 t -86.8 77.93 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.544 -179.604 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 474' ' ' VAL . . . . . 0.45 HG23 ' H ' ' A' ' 474' ' ' VAL . 1.6 t -68.87 -68.33 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.671 179.698 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -153.33 144.55 23.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.536 179.12 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 476' ' ' GLU . . . . . 0.455 ' OE2' ' HB3' ' A' ' 485' ' ' ALA . 2.3 tp10 -125.08 131.68 53.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.595 179.186 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 10.0 t -132.73 115.51 15.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.512 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 478' ' ' VAL . . . . . 0.627 HG12 HH11 ' A' ' 459' ' ' ARG . 4.3 m -124.79 128.43 73.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.573 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 479' ' ' ALA . . . . . . . . . . . . . . . -57.07 166.98 0.92 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.513 179.364 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -60.73 142.89 55.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.573 -179.375 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 100.86 -29.7 11.9 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 177.746 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 482' ' ' TRP . . . . . . . . . . . . . 11.7 m95 -100.39 144.61 28.79 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 120.944 0.402 . . . . 0.0 110.664 178.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 483' ' ' PRO . . . . . 0.41 ' CD ' ' NZ ' ' A' ' 531' ' ' LYS . 63.9 Cg_endo -74.4 166.59 29.1 Favored 'Trans proline' 0 C--N 1.304 -1.767 0 C-N-CA 122.779 2.319 . . . . 0.0 112.039 -179.524 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -78.89 118.72 21.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.568 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 485' ' ' ALA . . . . . 0.455 ' HB3' ' OE2' ' A' ' 476' ' ' GLU . . . -75.64 -10.77 59.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.533 -179.303 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 486' ' ' ARG . . . . . . . . . . . . . 57.4 ttt180 -53.02 -33.02 49.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.561 -179.578 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 487' ' ' ASP . . . . . . . . . . . . . 55.6 t0 -68.3 -14.16 62.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.507 -179.544 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 488' ' ' GLN . . . . . 0.406 ' OE1' HD21 ' A' ' 530' ' ' LEU . 75.9 mt-30 -106.32 116.47 31.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.497 179.753 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 489' ' ' VAL . . . . . . . . . . . . . 91.1 t -99.54 117.58 44.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.443 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 11.3 mm -48.67 110.22 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.602 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -78.91 -27.91 43.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.554 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 492' ' ' ASP . . . . . 0.576 ' CG ' H322 ' A' ' 600' ' ' PVN . 17.7 t0 -60.09 112.89 6.1 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.523 -179.864 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 493' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -82.01 147.42 14.88 Favored 'Trans proline' 0 C--N 1.304 -1.774 0 C-N-CA 122.919 2.413 . . . . 0.0 112.23 -179.546 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 494' ' ' CYS . . . . . . . . . . . . . 56.7 m -87.47 115.03 24.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.554 179.551 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 495' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -84.44 136.36 33.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.661 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 71.1 mtp85 -81.54 16.98 1.51 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.665 -179.571 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 497' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -59.41 -40.45 86.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.572 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 498' ' ' HIS . . . . . . . . . . . . . 46.9 t-80 -177.55 -30.59 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.559 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 499' ' ' TRP . . . . . 0.689 ' CE2' H511 ' A' ' 600' ' ' PVN . 50.9 m95 -53.45 -49.13 68.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.545 -179.175 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 500' ' ' VAL . . . . . . . . . . . . . 98.6 t -59.66 -40.77 83.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.643 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.62 -31.13 72.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.584 179.504 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 502' ' ' ALA . . . . . 0.433 ' O ' ' CG ' ' A' ' 505' ' ' GLN . . . -54.63 -45.1 73.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.577 -179.828 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 503' ' ' TYR . . . . . 0.525 ' CD1' ' CD2' ' A' ' 549' ' ' LEU . 86.0 m-85 -78.37 -25.97 46.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.562 179.003 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 68.6 ttt180 -62.13 -15.91 48.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.639 -179.157 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 505' ' ' GLN . . . . . 0.433 ' CG ' ' O ' ' A' ' 502' ' ' ALA . 15.3 pt20 -107.14 -1.43 21.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.673 -178.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . 84.67 37.47 10.49 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.27 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 507' ' ' ARG . . . . . . . . . . . . . 72.4 ttt180 -73.95 145.47 44.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.809 0.338 . . . . 0.0 110.513 179.607 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 66.1 mt -106.84 123.65 62.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.575 179.399 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 509' ' ' GLN . . . . . . . . . . . . . 61.4 tp60 -113.28 118.5 34.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.546 -179.119 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 510' ' ' ALA . . . . . 0.847 ' HB1' ' CD1' ' A' ' 561' ' ' TRP . . . -128.17 101.11 6.12 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.62 178.288 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 511' ' ' THR . . . . . . . . . . . . . 4.7 m -110.46 103.2 11.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.542 -179.613 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 512' ' ' THR . . . . . . . . . . . . . 6.8 m -51.0 -19.64 1.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.533 179.704 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 513' ' ' ASP . . . . . 0.541 ' OD1' ' NZ ' ' A' ' 516' ' ' LYS . 8.3 p30 -169.29 118.2 0.66 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.51 -179.419 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 514' ' ' ILE . . . . . 0.606 HG22 ' O ' ' A' ' 514' ' ' ILE . 79.7 mt -70.54 -0.11 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.566 178.845 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 515' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -74.98 -31.16 61.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.552 -178.395 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 516' ' ' LYS . . . . . 0.541 ' NZ ' ' OD1' ' A' ' 513' ' ' ASP . 10.8 pttm -97.23 29.08 3.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.559 179.326 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -131.67 142.36 49.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.532 -177.205 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . 43.41 47.46 6.99 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 176.729 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 519' ' ' LEU . . . . . . . . . . . . . 10.3 mt -54.76 167.12 0.4 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.722 0.296 . . . . 0.0 110.615 177.227 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 520' ' ' THR . . . . . . . . . . . . . 2.1 m 52.76 30.99 9.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.563 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 521' ' ' GLU . . . . . 0.406 ' HG2' ' N ' ' A' ' 522' ' ' CYS . 63.2 tt0 -146.2 163.0 36.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.489 179.459 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 522' ' ' CYS . . . . . 0.677 ' O ' ' CG ' ' A' ' 523' ' ' HIS . 0.9 OUTLIER -60.3 123.53 17.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.541 178.716 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 523' ' ' HIS . . . . . 0.677 ' CG ' ' O ' ' A' ' 522' ' ' CYS . 13.3 m170 -172.21 -80.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.68 -178.591 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 524' ' ' LEU . . . . . 0.638 ' O ' ' HB2' ' A' ' 528' ' ' ARG . 0.7 OUTLIER -48.9 -34.34 12.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.75 178.412 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 525' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -56.7 -40.99 76.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.702 -178.256 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 526' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -101.97 -7.94 21.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.539 -179.151 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 527' ' ' LEU . . . . . 0.644 ' O ' HG22 ' A' ' 532' ' ' VAL . 15.0 mt -106.62 -28.33 10.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.53 -177.32 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 528' ' ' ARG . . . . . 0.694 ' N ' ' CD ' ' A' ' 529' ' ' PRO . 0.0 OUTLIER -66.93 -41.12 34.43 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.316 -177.791 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 529' ' ' PRO . . . . . 0.694 ' CD ' ' N ' ' A' ' 528' ' ' ARG . 31.2 Cg_exo -58.0 -44.96 35.25 Favored 'Trans proline' 0 C--N 1.306 -1.71 0 C-N-CA 123.0 2.466 . . . . 0.0 112.161 -178.792 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 530' ' ' LEU . . . . . 0.526 ' HB2' HG13 ' A' ' 532' ' ' VAL . 80.1 mt -68.18 -4.97 15.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.615 -179.754 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 531' ' ' LYS . . . . . 0.41 ' NZ ' ' CD ' ' A' ' 483' ' ' PRO . 26.6 mtmt 60.83 26.84 16.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.508 178.397 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 532' ' ' VAL . . . . . 0.697 ' O ' HG23 ' A' ' 532' ' ' VAL . 27.0 m -75.53 107.74 6.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.615 178.835 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 80.9 mtp180 -94.12 -14.9 25.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.365 -179.699 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 534' ' ' ALA . . . . . 0.67 ' HB2' ' HA ' ' A' ' 558' ' ' PRO . . . -133.81 141.51 47.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.152 -179.689 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 535' ' ' ASN . . . . . 0.72 HD21 H713 ' A' ' 600' ' ' PVN . 7.2 t30 -128.95 120.32 25.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.922 0.391 . . . . 0.0 111.163 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 536' ' ' LEU . . . . . 0.402 ' HB2' ' CZ3' ' A' ' 561' ' ' TRP . 63.2 tp -131.75 127.92 37.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.949 -0.568 . . . . 0.0 109.939 177.683 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 68.8 t -130.86 147.55 33.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.954 0.407 . . . . 0.0 111.213 -178.161 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 538' ' ' VAL . . . . . . . . . . . . . 31.0 m -140.07 133.71 15.35 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.069 178.634 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 539' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -72.34 135.38 24.49 Favored 'Trans proline' 0 C--N 1.304 -1.781 0 C-N-CA 122.752 2.301 . . . . 0.0 112.455 -175.726 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 540' ' ' MET . . . . . 0.516 ' SD ' ' O ' ' A' ' 573' ' ' ALA . 4.6 ttp -127.9 119.77 26.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.109 177.014 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 541' ' ' VAL . . . . . . . . . . . . . 18.6 m -123.06 149.25 26.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.029 0.442 . . . . 0.0 111.076 -176.68 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 542' ' ' ILE . . . . . 0.717 ' O ' ' OD1' ' A' ' 543' ' ' ASP . 63.2 mt -118.12 130.67 72.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.137 178.548 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 543' ' ' ASP . . . . . 0.717 ' OD1' ' O ' ' A' ' 542' ' ' ILE . 14.4 p30 39.6 39.56 0.53 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.896 0.379 . . . . 0.0 110.316 -179.556 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 544' ' ' ASP . . . . . 0.541 ' OD1' ' N ' ' A' ' 544' ' ' ASP . 0.4 OUTLIER 74.38 42.2 0.33 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.432 179.935 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 545' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' A' ' 542' ' ' ILE . 63.4 tt0 -149.01 123.51 9.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.575 179.702 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 546' ' ' LEU . . . . . 0.423 HD23 ' CZ ' ' A' ' 465' ' ' PHE . 15.6 tp -62.95 126.46 27.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.574 179.79 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 547' ' ' PHE . . . . . . . . . . . . . 60.5 t80 -112.4 -45.83 3.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.504 -178.441 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -172.62 -179.65 43.54 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.838 -0.905 . . . . 0.0 110.838 -178.654 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 549' ' ' LEU . . . . . 0.525 ' CD2' ' CD1' ' A' ' 503' ' ' TYR . 2.6 mp -138.43 143.01 39.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.868 0.366 . . . . 0.0 110.543 -179.287 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -92.47 121.26 33.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.346 178.38 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 551' ' ' ILE . . . . . 0.768 HD13 H811 ' A' ' 600' ' ' PVN . 3.7 mt -112.72 135.15 53.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.911 -178.542 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -124.75 115.12 20.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.216 178.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 553' ' ' HIS . . . . . 0.539 ' CE1' ' CG2' ' A' ' 551' ' ' ILE . 42.3 m80 -110.52 129.21 55.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.791 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 554' ' ' GLN . . . . . 0.524 ' H ' ' HB3' ' A' ' 534' ' ' ALA . 43.5 tt0 -90.24 113.61 25.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.683 174.327 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -87.74 -5.2 58.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.44 -175.716 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 556' ' ' SER . . . . . . . . . . . . . 9.1 t -95.56 -31.61 13.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.522 -177.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 557' ' ' GLU . . . . . 0.452 ' O ' ' CD ' ' A' ' 554' ' ' GLN . 4.1 pt-20 174.3 151.17 0.26 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.33 -178.655 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 558' ' ' PRO . . . . . 0.67 ' HA ' ' HB2' ' A' ' 534' ' ' ALA . 55.9 Cg_endo -72.37 125.53 10.82 Favored 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 122.762 2.308 . . . . 0.0 112.212 178.749 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 559' ' ' ARG . . . . . 0.59 ' NH1' ' SG ' ' A' ' 457' ' ' CYS . 16.8 ptm180 -116.84 140.28 49.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.348 -177.287 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 560' ' ' GLN . . . . . . . . . . . . . 38.9 tp60 -77.51 116.45 18.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.626 176.066 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 561' ' ' TRP . . . . . 0.847 ' CD1' ' HB1' ' A' ' 510' ' ' ALA . 1.1 m95 -57.83 148.27 25.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.379 -176.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -95.61 139.06 32.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.843 178.119 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 563' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -46.94 -43.63 19.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.526 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 564' ' ' ILE . . . . . 0.478 HG22 ' NE2' ' A' ' 568' ' ' GLN . 1.1 mt -74.73 -35.04 35.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.56 -179.801 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -66.45 -36.1 81.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.564 -179.079 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 566' ' ' ILE . . . . . 0.403 HD11 ' HB2' ' A' ' 561' ' ' TRP . 96.8 mt -68.14 -49.24 69.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.56 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -62.29 -47.43 84.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.635 -179.545 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 568' ' ' GLN . . . . . 0.478 ' NE2' HG22 ' A' ' 564' ' ' ILE . 89.1 mt-30 -63.05 -44.32 96.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.541 -179.219 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 569' ' ' PHE . . . . . 0.588 ' CD1' HD11 ' A' ' 455' ' ' LEU . 54.4 t80 -63.13 -42.0 99.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.518 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 22.5 t -60.45 -39.37 87.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.44 178.236 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -58.1 -40.5 81.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.455 178.066 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 14.9 tp -58.16 -45.13 87.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.467 178.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 573' ' ' ALA . . . . . 0.516 ' O ' ' SD ' ' A' ' 540' ' ' MET . . . -65.07 -45.6 84.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.482 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 574' ' ' SER . . . . . . . . . . . . . 21.2 m -60.41 -32.21 71.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.548 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 30.1 m -57.47 -51.73 68.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.527 -178.617 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -51.34 -37.67 39.86 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.555 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 15.6 p -59.95 -33.87 72.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.79 0.328 . . . . 0.0 110.576 179.631 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 45.3 mt -59.12 -52.45 65.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.593 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 89.5 t -69.84 -45.39 77.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.525 -179.245 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 580' ' ' LEU . . . . . 0.49 ' O ' ' N ' ' A' ' 584' ' ' HIS . 34.7 mt -58.05 -38.0 75.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.503 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -53.44 -52.01 60.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.704 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 582' ' ' ARG . . . . . 0.417 ' O ' ' CB ' ' A' ' 586' ' ' LEU . 78.4 mtp180 -78.72 -40.69 32.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.705 -179.432 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 19.2 tp -67.72 -55.75 11.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.606 -179.173 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 584' ' ' HIS . . . . . 0.49 ' N ' ' O ' ' A' ' 580' ' ' LEU . 79.7 t60 -49.25 -43.71 43.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.581 -179.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 585' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -78.99 -49.68 12.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.648 -179.292 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 586' ' ' LEU . . . . . 0.417 ' CB ' ' O ' ' A' ' 582' ' ' ARG . 31.9 tp -51.54 -50.17 60.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.648 -179.667 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 587' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -59.2 -39.36 82.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.665 179.182 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 588' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -66.82 -50.57 62.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.65 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 589' ' ' THR . . . . . . . . . . . . . 68.9 p -58.14 -30.98 66.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.609 -179.102 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 590' ' ' ILE . . . . . . . . . . . . . 3.1 mm -57.65 -45.32 86.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.609 -179.666 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -58.24 -46.69 85.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.522 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 20.0 m -67.13 -28.89 68.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.539 179.549 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 36.8 tp . . . . . 0 C--O 1.22 -0.497 0 CA-C-O 118.023 -0.989 . . . . 0.0 110.502 179.967 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 600' ' ' PVN . . . . . 0.768 H811 HD13 ' A' ' 551' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 429' ' ' MET . . . . . . . . . . . . . 73.4 mtm . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 430' ' ' ALA . . . . . 0.437 ' O ' ' O ' ' A' ' 431' ' ' ALA . . . -63.96 145.54 55.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.556 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 431' ' ' ALA . . . . . 0.437 ' O ' ' O ' ' A' ' 430' ' ' ALA . . . 59.95 133.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.589 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 432' ' ' VAL . . . . . 0.531 HG12 ' N ' ' A' ' 433' ' ' GLN . 46.0 t -112.4 161.32 11.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.601 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 433' ' ' GLN . . . . . 0.531 ' N ' HG12 ' A' ' 432' ' ' VAL . 35.3 tt0 71.97 -47.61 0.67 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.53 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 43.8 tp -53.47 -47.98 69.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.546 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 40.5 m -73.98 -37.02 64.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.63 179.572 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 436' ' ' GLU . . . . . . . . . . . . . 51.4 mp0 -84.51 12.97 6.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.603 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 437' ' ' LEU . . . . . . . . . . . . . 13.4 tp -63.33 109.29 1.53 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.549 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 78.9 mtm180 -148.14 14.82 1.03 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.611 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -79.14 125.39 29.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.576 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 69.9 ttt180 -55.62 -30.57 61.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.569 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 40.5 mm-40 -70.0 -35.23 74.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.66 -179.542 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -56.26 -55.68 30.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.606 -179.106 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 24.3 pt -57.69 -29.66 35.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.776 -179.027 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 444' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -80.57 -48.41 12.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.716 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -56.61 -25.57 53.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.767 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 446' ' ' THR . . . . . 0.481 ' O ' ' HB3' ' A' ' 449' ' ' ALA . 58.0 m -71.61 -59.84 2.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.628 -179.242 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 16.0 mt -38.97 -56.78 1.35 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.626 -179.674 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 448' ' ' VAL . . . . . . . . . . . . . 5.8 p -59.12 -37.49 68.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.7 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 449' ' ' ALA . . . . . 0.481 ' HB3' ' O ' ' A' ' 446' ' ' THR . . . -56.15 -45.43 79.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.669 179.399 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 450' ' ' LYS . . . . . . . . . . . . . 53.1 mttm -70.95 -41.42 71.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.582 178.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . -49.2 -49.47 30.81 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 452' ' ' ARG . . . . . . . . . . . . . 59.6 ttp180 -57.39 -43.24 83.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.734 0.302 . . . . 0.0 110.561 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -76.25 -37.26 57.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.64 -179.621 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 41.7 mt -68.02 -58.35 4.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.578 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 455' ' ' LEU . . . . . 0.561 HD11 ' CD1' ' A' ' 569' ' ' PHE . 88.7 mt -70.32 -25.39 63.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.495 179.373 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . 60.66 42.47 13.75 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.656 -176.501 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 457' ' ' CYS . . . . . 0.546 ' SG ' ' CG2' ' A' ' 460' ' ' VAL . 1.8 p -90.48 -160.45 0.7 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.461 -179.751 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 458' ' ' ASP . . . . . 0.62 ' CG ' HE21 ' A' ' 554' ' ' GLN . 73.6 m-20 -115.62 -28.32 6.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.545 -178.17 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 459' ' ' ARG . . . . . . . . . . . . . 7.5 ttp180 -148.14 142.91 26.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.777 179.695 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 460' ' ' VAL . . . . . 0.546 ' CG2' ' SG ' ' A' ' 457' ' ' CYS . 55.9 t -148.38 144.86 18.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.324 -179.759 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 461' ' ' ILE . . . . . . . . . . . . . 13.9 pt -142.8 151.66 17.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.891 0.377 . . . . 0.0 110.866 -179.674 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 462' ' ' VAL . . . . . . . . . . . . . 38.3 t -109.58 130.19 63.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.368 178.774 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 463' ' ' TYR . . . . . 0.434 ' OH ' ' CZ ' ' A' ' 465' ' ' PHE . 0.1 OUTLIER -148.64 145.33 27.7 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.684 -178.865 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 464' ' ' ALA . . . . . 0.406 ' O ' HG22 ' A' ' 472' ' ' THR . . . -139.1 169.66 17.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.344 179.011 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 465' ' ' PHE . . . . . 0.434 ' CZ ' ' OH ' ' A' ' 463' ' ' TYR . 62.6 m-85 -100.14 103.25 14.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.579 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 466' ' ' ASP . . . . . 0.545 ' CG ' ' H ' ' A' ' 467' ' ' ASP . 31.1 t0 -70.84 -160.51 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.551 178.629 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 467' ' ' ASP . . . . . 0.545 ' H ' ' CG ' ' A' ' 466' ' ' ASP . 89.9 m-20 -89.47 14.56 11.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.586 -179.733 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 468' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -125.79 12.95 7.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.608 -179.093 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 469' ' ' TYR . . . . . 0.488 ' CD1' ' O ' ' A' ' 494' ' ' CYS . 47.0 m-85 60.26 17.61 7.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.619 -179.654 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 470' ' ' VAL . . . . . . . . . . . . . 76.4 t -104.36 137.47 33.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.631 179.249 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -67.93 91.03 0.22 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.866 -0.894 . . . . 0.0 110.866 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 472' ' ' THR . . . . . 0.406 HG22 ' O ' ' A' ' 464' ' ' ALA . 0.2 OUTLIER -54.25 134.78 44.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.782 0.325 . . . . 0.0 110.628 179.758 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 473' ' ' VAL . . . . . 0.449 ' H ' HG22 ' A' ' 473' ' ' VAL . 3.3 m -83.08 76.61 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.529 -178.656 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 2.8 t -59.7 -67.1 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.564 178.34 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -151.17 141.92 22.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.581 179.079 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 476' ' ' GLU . . . . . 0.61 ' OE2' ' HB3' ' A' ' 485' ' ' ALA . 2.3 tp10 -123.76 129.97 51.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.554 179.504 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 477' ' ' SER . . . . . 0.45 ' O ' ' O ' ' A' ' 460' ' ' VAL . 9.1 t -132.08 114.68 14.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.488 -179.793 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 478' ' ' VAL . . . . . 0.479 ' O ' HG23 ' A' ' 478' ' ' VAL . 8.9 m -125.72 129.05 72.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.589 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 479' ' ' ALA . . . . . . . . . . . . . . . -56.41 166.41 0.88 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.57 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -60.67 143.32 54.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.598 -179.063 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 100.72 -29.86 11.52 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.809 -0.916 . . . . 0.0 110.809 177.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 482' ' ' TRP . . . . . . . . . . . . . 19.1 m95 -99.57 142.79 25.25 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 120.973 0.416 . . . . 0.0 110.613 179.225 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 483' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -72.54 166.67 29.17 Favored 'Trans proline' 0 C--N 1.304 -1.766 0 C-N-CA 122.884 2.389 . . . . 0.0 112.085 -179.372 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -80.12 120.46 24.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.558 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 485' ' ' ALA . . . . . 0.61 ' HB3' ' OE2' ' A' ' 476' ' ' GLU . . . -76.21 -11.46 59.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.521 -179.741 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 486' ' ' ARG . . . . . . . . . . . . . 49.5 ttt85 -54.94 -33.3 62.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.571 -179.37 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 487' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -67.98 -13.15 61.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.485 -179.333 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 488' ' ' GLN . . . . . 0.616 ' OE1' HD21 ' A' ' 530' ' ' LEU . 77.5 mt-30 -106.01 116.0 31.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.554 179.752 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 489' ' ' VAL . . . . . . . . . . . . . 93.7 t -101.95 121.09 52.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.537 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 490' ' ' ILE . . . . . 0.467 HG13 H912 ' A' ' 600' ' ' PVN . 9.6 mm -47.54 108.75 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.606 -179.656 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -79.28 -23.49 43.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.587 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 492' ' ' ASP . . . . . 0.51 ' OD2' H5C2 ' A' ' 600' ' ' PVN . 15.5 t0 -59.79 113.39 7.09 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.57 -179.588 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 493' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -82.53 135.44 8.08 Favored 'Trans proline' 0 C--N 1.305 -1.724 0 C-N-CA 122.845 2.363 . . . . 0.0 112.198 179.379 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 494' ' ' CYS . . . . . 0.488 ' O ' ' CD1' ' A' ' 469' ' ' TYR . 2.1 m -89.43 122.28 32.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.515 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 495' ' ' PHE . . . . . 0.527 ' O ' ' N ' ' A' ' 497' ' ' GLU . 97.8 m-85 -85.61 17.87 3.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.623 179.722 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 496' ' ' ARG . . . . . 0.541 ' O ' ' N ' ' A' ' 498' ' ' HIS . 58.0 ttt180 62.55 -70.42 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.557 -179.788 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 497' ' ' GLU . . . . . 0.527 ' N ' ' O ' ' A' ' 495' ' ' PHE . 79.5 mm-40 40.7 -91.45 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.499 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 498' ' ' HIS . . . . . 0.541 ' N ' ' O ' ' A' ' 496' ' ' ARG . 71.6 m80 -147.71 -12.46 0.39 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.554 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 499' ' ' TRP . . . . . 0.637 ' CD2' H512 ' A' ' 600' ' ' PVN . 58.8 t-105 -59.29 -47.47 85.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.578 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 500' ' ' VAL . . . . . . . . . . . . . 73.1 t -60.13 -45.06 96.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.523 179.7 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -70.12 -24.88 63.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.577 179.533 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 502' ' ' ALA . . . . . 0.45 ' HB3' ' O ' ' A' ' 499' ' ' TRP . . . -53.59 -52.3 60.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.555 -179.74 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 503' ' ' TYR . . . . . 0.425 ' CG ' ' CD2' ' A' ' 549' ' ' LEU . 56.1 m-85 -69.38 -34.74 74.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.485 179.449 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 54.2 ttp180 -62.55 -13.94 36.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.568 -179.687 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -99.16 1.41 44.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.667 -179.496 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . 83.21 35.18 18.62 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 507' ' ' ARG . . . . . . . . . . . . . 23.6 ttm180 -78.3 134.94 37.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.749 0.309 . . . . 0.0 110.598 179.709 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 7.4 pt -105.53 123.68 60.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.496 179.089 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 509' ' ' GLN . . . . . . . . . . . . . 43.7 tp60 -117.59 119.97 36.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.575 -178.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 510' ' ' ALA . . . . . 0.765 ' HB1' ' CD1' ' A' ' 561' ' ' TRP . . . -127.24 100.08 5.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.579 178.053 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 511' ' ' THR . . . . . . . . . . . . . 3.9 m -110.7 103.5 12.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.531 -179.309 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 512' ' ' THR . . . . . . . . . . . . . 6.2 m -51.31 -19.59 1.34 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.52 179.411 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 513' ' ' ASP . . . . . 0.489 ' OD1' ' NZ ' ' A' ' 516' ' ' LYS . 18.2 p30 -169.86 117.24 0.57 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.544 -179.114 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 514' ' ' ILE . . . . . 0.784 HG23 H621 ' A' ' 600' ' ' PVN . 96.6 mt -69.72 0.66 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.582 179.055 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 515' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -74.49 -31.7 62.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.516 -178.322 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 516' ' ' LYS . . . . . 0.489 ' NZ ' ' OD1' ' A' ' 513' ' ' ASP . 9.4 pttm -97.87 29.33 3.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.509 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -130.8 141.66 50.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.489 -177.478 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 518' ' ' GLY . . . . . 0.412 ' O ' ' O ' ' A' ' 519' ' ' LEU . . . 42.55 44.28 5.22 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.901 -0.879 . . . . 0.0 110.901 177.352 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 519' ' ' LEU . . . . . 0.468 HD23 ' N ' ' A' ' 519' ' ' LEU . 2.2 mt -44.47 171.4 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.7 0.286 . . . . 0.0 110.701 178.417 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 520' ' ' THR . . . . . . . . . . . . . 30.0 p 46.52 37.34 4.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.524 178.77 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 46.5 tt0 -146.5 162.29 38.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.428 179.645 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 522' ' ' CYS . . . . . 0.707 ' O ' ' CG ' ' A' ' 523' ' ' HIS . 0.8 OUTLIER -61.14 125.43 23.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.497 178.159 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 523' ' ' HIS . . . . . 0.707 ' CG ' ' O ' ' A' ' 522' ' ' CYS . 12.8 m170 -173.72 -80.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.623 -178.58 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 524' ' ' LEU . . . . . 0.526 ' O ' ' N ' ' A' ' 528' ' ' ARG . 0.5 OUTLIER -50.47 -35.89 31.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.721 178.526 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 525' ' ' ASN . . . . . . . . . . . . . 53.9 t-20 -57.78 -42.96 85.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.685 -177.618 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 526' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -98.85 -8.7 25.35 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.607 -178.19 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 75.6 mt -106.93 -21.85 12.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.601 -177.693 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 528' ' ' ARG . . . . . 0.702 ' N ' ' CD ' ' A' ' 529' ' ' PRO . 0.7 OUTLIER -70.31 -40.68 12.26 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.203 -178.166 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 529' ' ' PRO . . . . . 0.702 ' CD ' ' N ' ' A' ' 528' ' ' ARG . 33.3 Cg_exo -57.72 -45.82 30.79 Favored 'Trans proline' 0 C--N 1.305 -1.735 0 C-N-CA 122.961 2.44 . . . . 0.0 112.196 -178.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 530' ' ' LEU . . . . . 0.616 HD21 ' OE1' ' A' ' 488' ' ' GLN . 85.7 mt -75.07 3.63 8.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.64 179.563 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 3.4 mtmm 59.8 26.05 15.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.584 179.546 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 532' ' ' VAL . . . . . . . . . . . . . 56.0 t -73.99 104.97 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.588 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -106.45 -15.87 14.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.377 179.035 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 534' ' ' ALA . . . . . 0.685 ' HB2' ' HA ' ' A' ' 558' ' ' PRO . . . -124.63 135.22 52.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.095 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 535' ' ' ASN . . . . . 0.532 ' OD1' H713 ' A' ' 600' ' ' PVN . 11.7 t-20 -127.21 117.4 22.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.903 0.382 . . . . 0.0 111.206 -179.317 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 536' ' ' LEU . . . . . . . . . . . . . 64.3 tp -130.17 126.54 37.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.966 176.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 537' ' ' VAL . . . . . 0.774 HG22 HD12 ' A' ' 551' ' ' ILE . 52.8 t -129.2 146.21 34.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.053 0.454 . . . . 0.0 111.189 -177.165 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 538' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 538' ' ' VAL . 34.5 m -140.62 129.91 13.11 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.03 178.104 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 539' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -72.47 133.26 20.41 Favored 'Trans proline' 0 C--N 1.304 -1.787 0 C-N-CA 122.74 2.293 . . . . 0.0 112.524 -174.701 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 540' ' ' MET . . . . . 0.546 ' SD ' ' O ' ' A' ' 573' ' ' ALA . 6.4 ttt -127.62 118.15 23.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.061 176.286 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 541' ' ' VAL . . . . . . . . . . . . . 17.1 m -124.22 157.38 31.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.985 0.422 . . . . 0.0 111.143 -175.533 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 542' ' ' ILE . . . . . 0.45 HD12 ' CG ' ' A' ' 547' ' ' PHE . 76.7 mt -129.36 129.7 67.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.069 178.507 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 543' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 44.79 50.21 8.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.873 0.368 . . . . 0.0 110.264 -179.07 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 544' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 59.66 41.84 18.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.358 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 545' ' ' GLN . . . . . 0.418 ' O ' ' N ' ' A' ' 542' ' ' ILE . 63.2 tp60 -148.08 145.87 28.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.577 179.048 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 546' ' ' LEU . . . . . . . . . . . . . 27.4 tp -79.68 128.1 33.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.562 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 547' ' ' PHE . . . . . 0.45 ' CG ' HD12 ' A' ' 542' ' ' ILE . 13.2 t80 -114.53 -47.48 2.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.507 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 548' ' ' GLY . . . . . 0.402 ' C ' HD12 ' A' ' 549' ' ' LEU . . . -167.0 179.82 40.51 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 -179.783 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 549' ' ' LEU . . . . . 0.464 HD12 ' N ' ' A' ' 549' ' ' LEU . 4.2 mp -142.64 139.55 31.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.796 0.332 . . . . 0.0 110.569 -179.748 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 550' ' ' LEU . . . . . 0.627 HD12 ' N ' ' A' ' 550' ' ' LEU . 9.0 mp -95.25 118.38 31.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.332 179.43 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 551' ' ' ILE . . . . . 0.774 HD12 HG22 ' A' ' 537' ' ' VAL . 3.3 mm -115.4 138.54 45.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.004 -178.65 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -124.72 114.11 18.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.116 178.654 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 553' ' ' HIS . . . . . 0.503 ' CE1' ' CG2' ' A' ' 551' ' ' ILE . 55.5 m80 -110.01 130.88 55.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.87 -179.729 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 554' ' ' GLN . . . . . 0.659 ' H ' ' HB3' ' A' ' 534' ' ' ALA . 13.9 tp60 -88.95 115.78 26.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.676 174.239 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -91.24 -7.4 51.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.456 -176.556 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 556' ' ' SER . . . . . 0.466 ' HG ' ' CG ' ' A' ' 458' ' ' ASP . 3.1 m -95.16 -30.03 14.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.54 -177.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 173.35 148.42 0.22 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.413 -178.719 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 558' ' ' PRO . . . . . 0.685 ' HA ' ' HB2' ' A' ' 534' ' ' ALA . 41.5 Cg_endo -68.37 126.27 14.02 Favored 'Trans proline' 0 C--N 1.305 -1.747 0 C-N-CA 122.834 2.356 . . . . 0.0 112.208 178.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -119.7 141.69 49.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.347 -176.622 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 560' ' ' GLN . . . . . 0.435 ' O ' ' OE1' ' A' ' 562' ' ' GLN . 56.2 tp60 -79.38 118.89 21.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.665 176.303 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 561' ' ' TRP . . . . . 0.765 ' CD1' ' HB1' ' A' ' 510' ' ' ALA . 0.9 OUTLIER -60.87 144.74 52.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.275 -177.034 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 562' ' ' GLN . . . . . 0.453 ' N ' ' OE1' ' A' ' 562' ' ' GLN . 0.2 OUTLIER -90.69 137.93 31.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.871 177.215 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 563' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -45.98 -42.73 13.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.584 -178.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 564' ' ' ILE . . . . . 0.424 HG13 ' H ' ' A' ' 564' ' ' ILE . 0.0 OUTLIER -71.09 -35.21 57.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.524 -179.567 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 565' ' ' GLU . . . . . 0.6 ' OE1' ' N ' ' A' ' 565' ' ' GLU . 3.1 mp0 -65.96 -38.09 87.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.556 -179.009 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 566' ' ' ILE . . . . . . . . . . . . . 81.6 mt -64.93 -49.1 81.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.642 -179.557 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -64.98 -49.63 69.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.653 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 568' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -61.53 -46.29 90.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.524 -178.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 569' ' ' PHE . . . . . 0.561 ' CD1' HD11 ' A' ' 455' ' ' LEU . 47.2 t80 -62.84 -41.56 99.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.505 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 23.1 t -60.41 -40.22 90.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.534 177.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -58.39 -40.51 82.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.538 177.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 15.0 tp -57.93 -42.58 85.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.443 178.715 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 573' ' ' ALA . . . . . 0.546 ' O ' ' SD ' ' A' ' 540' ' ' MET . . . -66.19 -44.8 82.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.473 179.518 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 574' ' ' SER . . . . . . . . . . . . . 19.6 m -58.46 -31.26 67.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.537 179.601 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 17.5 m -64.55 -43.6 93.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.514 -179.59 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -48.68 -38.58 22.39 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 178.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 34.5 m -58.53 -40.06 81.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.799 0.333 . . . . 0.0 110.536 178.564 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 59.9 mt -54.35 -45.0 72.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.645 178.781 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 93.1 t -74.93 -51.15 22.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.466 -178.631 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 580' ' ' LEU . . . . . 0.568 ' O ' ' N ' ' A' ' 584' ' ' HIS . 95.5 mt -61.61 -43.51 98.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.499 -178.801 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -51.87 -52.01 52.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.683 -179.298 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 582' ' ' ARG . . . . . . . . . . . . . 84.0 mtt-85 -76.98 -41.91 41.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.695 -179.658 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 29.3 tp -70.34 -60.7 2.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.681 -179.219 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 584' ' ' HIS . . . . . 0.568 ' N ' ' O ' ' A' ' 580' ' ' LEU . 63.9 t60 -47.13 -41.87 18.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.612 -178.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 585' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -77.15 -51.04 11.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.687 -179.262 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 28.9 tp -51.77 -49.82 61.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.617 -179.258 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 587' ' ' GLU . . . . . 0.422 ' HA ' HD12 ' A' ' 590' ' ' ILE . 97.1 mt-10 -55.89 -38.54 70.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.621 179.057 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 588' ' ' GLN . . . . . . . . . . . . . 7.6 tp60 -66.67 -43.94 83.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.683 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 589' ' ' THR . . . . . . . . . . . . . 68.3 p -59.42 -33.29 71.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.598 -179.112 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 590' ' ' ILE . . . . . 0.422 HD12 ' HA ' ' A' ' 587' ' ' GLU . 75.7 mt -54.69 -49.86 64.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.585 -179.677 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -63.8 -36.9 85.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.55 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 83.6 p -69.47 -19.16 63.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.598 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 62.5 mt . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 118.064 -0.97 . . . . 0.0 110.538 179.985 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 600' ' ' PVN . . . . . 0.784 H621 HG23 ' A' ' 514' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 429' ' ' MET . . . . . . . . . . . . . 50.5 ttp . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 430' ' ' ALA . . . . . . . . . . . . . . . 56.24 -96.88 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.523 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . 61.15 126.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.589 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 6.0 m -54.75 -22.18 9.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.579 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -53.16 -46.13 68.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.561 -179.589 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 37.6 mt -67.06 -37.21 83.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.598 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 20.9 m -61.33 -34.44 75.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.599 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 436' ' ' GLU . . . . . . . . . . . . . 76.7 tt0 -67.45 -10.35 50.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.571 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 437' ' ' LEU . . . . . . . . . . . . . 41.8 mt -90.43 72.28 6.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.535 -179.58 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -141.96 0.42 1.39 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.634 179.429 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 54.1 p30 -76.37 -171.81 1.91 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.543 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -57.12 -33.02 66.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.58 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 44.7 mm-40 -68.15 -32.44 72.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.639 -179.697 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -61.11 -54.76 40.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.582 -179.499 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 22.3 pt -61.1 -34.53 60.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.699 -179.118 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 444' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -78.53 -51.59 9.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.669 -179.158 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -55.61 -22.86 24.45 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.723 179.116 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 446' ' ' THR . . . . . 0.487 ' O ' ' HB3' ' A' ' 449' ' ' ALA . 51.5 m -71.98 -58.62 3.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.679 -179.705 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 447' ' ' LEU . . . . . 0.416 ' HG ' ' H ' ' A' ' 447' ' ' LEU . 14.8 mt -39.37 -56.65 1.53 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.602 -179.795 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 448' ' ' VAL . . . . . . . . . . . . . 5.3 p -58.57 -37.62 66.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.682 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 449' ' ' ALA . . . . . 0.487 ' HB3' ' O ' ' A' ' 446' ' ' THR . . . -56.17 -44.54 79.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.583 179.039 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 450' ' ' LYS . . . . . . . . . . . . . 77.2 mttt -72.27 -41.42 66.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.603 178.681 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . -49.46 -50.91 28.79 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 -179.605 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 452' ' ' ARG . . . . . 0.524 ' NH2' ' OG ' ' A' ' 477' ' ' SER . 27.9 ttm180 -57.82 -44.92 86.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.821 0.343 . . . . 0.0 110.614 -179.74 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -71.72 -37.84 70.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.622 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 41.4 mt -67.73 -57.77 5.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.649 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 455' ' ' LEU . . . . . 0.587 HD11 ' CD1' ' A' ' 569' ' ' PHE . 97.2 mt -71.23 -25.55 62.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.52 179.215 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . 60.17 44.18 13.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.666 -176.681 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 457' ' ' CYS . . . . . 0.589 ' C ' HE22 ' A' ' 554' ' ' GLN . 3.1 p -91.6 -159.52 0.65 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.422 -179.803 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 458' ' ' ASP . . . . . 0.498 ' N ' ' NE2' ' A' ' 554' ' ' GLN . 53.8 t0 -115.83 -27.98 6.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.67 -178.136 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 459' ' ' ARG . . . . . 0.555 HH11 HG12 ' A' ' 478' ' ' VAL . 28.5 ttp85 -147.73 141.83 26.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.676 -179.403 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 460' ' ' VAL . . . . . 0.575 ' CG2' ' SG ' ' A' ' 457' ' ' CYS . 39.6 t -148.58 144.96 18.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.314 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 461' ' ' ILE . . . . . 0.444 HG21 HH22 ' A' ' 459' ' ' ARG . 13.7 pt -142.89 151.86 17.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.894 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 462' ' ' VAL . . . . . . . . . . . . . 33.7 t -112.07 132.47 60.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.349 179.125 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 463' ' ' TYR . . . . . 0.927 ' CE1' HD11 ' A' ' 551' ' ' ILE . 1.1 p90 -146.87 146.5 30.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.726 -178.795 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 464' ' ' ALA . . . . . 0.556 ' O ' HG22 ' A' ' 472' ' ' THR . . . -136.32 164.25 28.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.387 178.417 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 465' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -96.19 100.67 12.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.555 -179.008 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 466' ' ' ASP . . . . . 0.547 ' CG ' ' H ' ' A' ' 467' ' ' ASP . 29.3 t0 -74.2 -158.54 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.53 178.839 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 467' ' ' ASP . . . . . 0.547 ' H ' ' CG ' ' A' ' 466' ' ' ASP . 85.9 m-20 -93.17 15.53 15.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.501 -179.579 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 468' ' ' ASN . . . . . 0.501 ' O ' ' N ' ' A' ' 470' ' ' VAL . 0.4 OUTLIER -126.47 31.55 5.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.617 -178.639 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 469' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 44.04 17.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.594 179.777 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 470' ' ' VAL . . . . . 0.501 ' N ' ' O ' ' A' ' 468' ' ' ASN . 8.6 p -109.33 142.94 20.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.544 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -75.2 82.33 0.89 Allowed Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.901 -0.879 . . . . 0.0 110.901 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 472' ' ' THR . . . . . 0.556 HG22 ' O ' ' A' ' 464' ' ' ALA . 0.0 OUTLIER -42.04 142.98 0.63 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.815 0.34 . . . . 0.0 110.619 179.937 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 473' ' ' VAL . . . . . 0.463 HG11 ' NH1' ' A' ' 486' ' ' ARG . 91.2 t -88.03 92.78 3.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.511 -178.818 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 2.4 t -75.74 -67.98 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.632 177.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -149.48 138.08 20.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.58 178.77 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 476' ' ' GLU . . . . . 0.554 ' OE2' ' HB3' ' A' ' 485' ' ' ALA . 73.5 tt0 -125.16 132.59 53.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.592 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 477' ' ' SER . . . . . 0.524 ' OG ' ' NH2' ' A' ' 452' ' ' ARG . 7.4 t -134.02 115.5 14.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.505 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 478' ' ' VAL . . . . . 0.555 HG12 HH11 ' A' ' 459' ' ' ARG . 24.7 m -122.85 126.73 74.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.562 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 479' ' ' ALA . . . . . . . . . . . . . . . -57.8 167.72 1.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.504 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -61.76 144.58 54.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.563 -179.466 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 102.16 -30.61 10.04 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 178.13 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 482' ' ' TRP . . . . . . . . . . . . . 13.2 m95 -101.91 138.85 19.9 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 120.987 0.423 . . . . 0.0 110.665 178.592 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 483' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -74.09 171.7 17.44 Favored 'Trans proline' 0 C--N 1.306 -1.695 0 C-N-CA 122.852 2.368 . . . . 0.0 112.088 -179.181 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -84.04 120.98 26.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.657 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 485' ' ' ALA . . . . . 0.554 ' HB3' ' OE2' ' A' ' 476' ' ' GLU . . . -75.44 -7.16 53.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.496 -179.71 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 486' ' ' ARG . . . . . 0.463 ' NH1' HG11 ' A' ' 473' ' ' VAL . 57.9 ttt85 -49.63 -33.91 16.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.56 -179.471 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 487' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -67.05 -17.55 64.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.529 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 488' ' ' GLN . . . . . 0.505 ' OE1' HD21 ' A' ' 530' ' ' LEU . 89.0 mt-30 -106.76 115.66 30.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.547 179.771 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 489' ' ' VAL . . . . . . . . . . . . . 48.3 t -98.91 117.93 44.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.571 179.396 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 490' ' ' ILE . . . . . 0.772 ' N ' HD13 ' A' ' 490' ' ' ILE . 0.1 OUTLIER -48.62 138.49 3.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.59 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -107.1 -32.86 7.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.536 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 492' ' ' ASP . . . . . 0.629 ' OD2' H5C2 ' A' ' 600' ' ' PVN . 45.9 t0 -66.59 114.91 19.56 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.608 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 493' ' ' PRO . . . . . 0.548 ' C ' ' H ' ' A' ' 495' ' ' PHE . 91.7 Cg_endo -82.72 -62.79 0.02 OUTLIER 'Trans proline' 0 C--N 1.307 -1.651 0 C-N-CA 122.903 2.402 . . . . 0.0 112.244 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 494' ' ' CYS . . . . . 0.505 ' SG ' H413 ' A' ' 600' ' ' PVN . 22.1 t 60.28 -2.81 0.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.56 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 495' ' ' PHE . . . . . 0.548 ' H ' ' C ' ' A' ' 493' ' ' PRO . 68.6 t80 -64.1 -41.85 97.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.593 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 75.9 ttt180 -54.66 -36.81 64.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.608 -179.64 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 497' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -61.3 156.69 18.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.57 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 498' ' ' HIS . . . . . . . . . . . . . 44.7 p-80 -66.19 -14.28 61.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.575 -179.639 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 499' ' ' TRP . . . . . 0.799 ' CD2' H521 ' A' ' 600' ' ' PVN . 61.0 m95 -45.45 -31.03 1.55 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.603 -179.816 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 500' ' ' VAL . . . . . . . . . . . . . 92.9 t -59.21 -45.17 93.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.534 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -63.49 -28.44 69.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.58 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 502' ' ' ALA . . . . . 0.429 ' O ' ' CG ' ' A' ' 505' ' ' GLN . . . -61.32 -42.35 98.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.56 -179.754 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 54.1 m-85 -66.73 -30.14 70.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.602 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 504' ' ' ARG . . . . . 0.529 ' C ' ' H ' ' A' ' 506' ' ' GLY . 57.7 ttt180 -60.43 -54.2 48.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.555 -179.736 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 505' ' ' GLN . . . . . 0.429 ' CG ' ' O ' ' A' ' 502' ' ' ALA . 13.5 pt20 -61.31 3.31 0.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.619 179.722 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 506' ' ' GLY . . . . . 0.529 ' H ' ' C ' ' A' ' 504' ' ' ARG . . . 79.39 38.66 20.87 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 177.7 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 507' ' ' ARG . . . . . 0.405 ' HD2' ' HB1' ' A' ' 502' ' ' ALA . 23.5 ttm180 -68.57 137.46 54.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.792 0.329 . . . . 0.0 110.581 178.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 69.3 mt -106.53 123.57 61.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.566 179.4 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 509' ' ' GLN . . . . . . . . . . . . . 61.2 tp60 -114.21 118.52 34.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.528 -178.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 510' ' ' ALA . . . . . 0.86 ' HB1' ' CD1' ' A' ' 561' ' ' TRP . . . -128.15 101.12 6.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.553 178.202 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 511' ' ' THR . . . . . . . . . . . . . 4.1 m -111.5 104.04 12.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.592 -179.495 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 512' ' ' THR . . . . . . . . . . . . . 8.0 m -50.66 -19.96 1.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.488 179.241 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 513' ' ' ASP . . . . . 0.521 ' N ' ' OD1' ' A' ' 513' ' ' ASP . 6.1 p30 -169.79 117.54 0.59 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.532 -179.01 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 514' ' ' ILE . . . . . 0.641 HG22 ' O ' ' A' ' 514' ' ' ILE . 93.6 mt -69.23 1.19 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.578 179.425 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 515' ' ' PHE . . . . . 0.646 ' CE2' HD22 ' A' ' 524' ' ' LEU . 7.5 m-85 -77.37 -32.9 55.26 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.53 -178.136 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 34.1 pttt -96.2 27.94 3.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.51 179.642 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -131.33 123.28 27.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.578 -177.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . 60.93 43.87 98.83 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 177.23 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 519' ' ' LEU . . . . . . . . . . . . . 60.4 mt -46.17 169.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.806 0.336 . . . . 0.0 110.61 177.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 520' ' ' THR . . . . . . . . . . . . . 13.9 p 50.07 35.21 9.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.587 179.262 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 52.3 tt0 -146.14 163.73 34.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.479 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 522' ' ' CYS . . . . . 0.655 ' O ' ' CG ' ' A' ' 523' ' ' HIS . 0.7 OUTLIER -59.98 125.6 24.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.46 178.489 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 523' ' ' HIS . . . . . 0.655 ' CG ' ' O ' ' A' ' 522' ' ' CYS . 25.3 m-70 -170.61 -82.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.674 -178.809 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 524' ' ' LEU . . . . . 0.646 HD22 ' CE2' ' A' ' 515' ' ' PHE . 10.1 mt -48.11 -33.7 8.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.674 178.323 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 525' ' ' ASN . . . . . . . . . . . . . 55.8 t-20 -57.27 -43.51 83.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.679 -177.37 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 526' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -103.54 -7.48 20.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.592 -178.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 527' ' ' LEU . . . . . 0.613 ' O ' HG22 ' A' ' 532' ' ' VAL . 95.9 mt -107.18 -25.77 11.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.599 -176.709 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 528' ' ' ARG . . . . . 0.715 ' N ' ' CD ' ' A' ' 529' ' ' PRO . 16.8 tpt180 -68.63 -38.54 12.44 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.379 -177.293 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 529' ' ' PRO . . . . . 0.715 ' CD ' ' N ' ' A' ' 528' ' ' ARG . 34.9 Cg_exo -59.49 -45.63 25.19 Favored 'Trans proline' 0 C--N 1.306 -1.708 0 C-N-CA 122.812 2.341 . . . . 0.0 112.179 -178.238 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 530' ' ' LEU . . . . . 0.559 ' HB2' HG13 ' A' ' 532' ' ' VAL . 67.8 mt -70.03 -6.97 37.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.698 -179.023 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 531' ' ' LYS . . . . . 0.557 ' HZ2' ' C ' ' A' ' 530' ' ' LEU . 4.9 mtmp? 64.31 25.41 13.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.544 178.664 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 532' ' ' VAL . . . . . 0.679 ' O ' HG23 ' A' ' 532' ' ' VAL . 26.3 m -76.02 109.42 9.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.702 179.689 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 533' ' ' ARG . . . . . 0.521 ' NH1' ' O ' ' A' ' 555' ' ' ALA . 74.8 mtt85 -100.07 -14.11 18.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.319 179.6 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 534' ' ' ALA . . . . . 0.577 ' HB3' ' H ' ' A' ' 554' ' ' GLN . . . -130.13 138.48 50.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.103 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 535' ' ' ASN . . . . . 0.538 HD22 ' C71' ' A' ' 600' ' ' PVN . 23.9 t-20 -128.49 118.25 22.74 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.703 -0.399 . . . . 0.0 111.157 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 536' ' ' LEU . . . . . . . . . . . . . 69.4 tp -130.76 128.16 40.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.998 177.693 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 58.6 t -130.69 147.51 33.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.052 0.453 . . . . 0.0 111.133 -177.647 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 538' ' ' VAL . . . . . . . . . . . . . 30.9 m -140.0 129.74 13.75 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.007 178.435 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 539' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -72.39 136.13 25.78 Favored 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 122.719 2.279 . . . . 0.0 112.51 -174.559 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 540' ' ' MET . . . . . 0.456 ' HB3' ' O ' ' A' ' 548' ' ' GLY . 0.9 OUTLIER -127.96 118.07 22.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.049 176.125 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 541' ' ' VAL . . . . . . . . . . . . . 31.0 m -123.26 150.52 27.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.103 -175.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 542' ' ' ILE . . . . . 0.426 ' N ' ' O ' ' A' ' 545' ' ' GLN . 73.7 mt -129.91 129.81 66.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.061 178.566 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 543' ' ' ASP . . . . . 0.709 ' O ' ' OD1' ' A' ' 544' ' ' ASP . 59.4 t0 43.74 64.29 1.31 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.257 -179.253 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 544' ' ' ASP . . . . . 0.709 ' OD1' ' O ' ' A' ' 543' ' ' ASP . 10.6 p30 47.21 37.91 6.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.398 178.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 545' ' ' GLN . . . . . 0.426 ' O ' ' N ' ' A' ' 542' ' ' ILE . 49.3 tt0 -142.96 154.92 44.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.565 178.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 546' ' ' LEU . . . . . . . . . . . . . 29.1 tp -89.38 132.76 34.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.535 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 547' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -112.96 -54.93 2.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.582 -179.331 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 548' ' ' GLY . . . . . 0.544 ' C ' HD12 ' A' ' 549' ' ' LEU . . . -170.58 -175.89 39.6 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 -178.859 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 549' ' ' LEU . . . . . 0.544 HD12 ' C ' ' A' ' 548' ' ' GLY . 5.2 mp -144.93 141.1 28.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.764 0.316 . . . . 0.0 110.624 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 550' ' ' LEU . . . . . 0.588 HD12 ' N ' ' A' ' 550' ' ' LEU . 7.1 mp -94.66 124.46 38.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.305 179.442 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 551' ' ' ILE . . . . . 0.927 HD11 ' CE1' ' A' ' 463' ' ' TYR . 5.0 mt -117.24 140.64 39.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.871 -179.346 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -125.43 114.33 18.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.184 177.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 553' ' ' HIS . . . . . 0.527 ' CE1' ' CG2' ' A' ' 551' ' ' ILE . 52.7 m80 -108.8 127.86 54.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.879 0.371 . . . . 0.0 110.868 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 554' ' ' GLN . . . . . 0.589 HE22 ' C ' ' A' ' 457' ' ' CYS . 27.1 tp60 -86.59 115.28 23.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.728 175.194 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 555' ' ' ALA . . . . . 0.521 ' O ' ' NH1' ' A' ' 533' ' ' ARG . . . -90.26 -8.61 50.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.51 -176.614 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 556' ' ' SER . . . . . . . . . . . . . 91.6 p -93.49 -31.37 14.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.492 -177.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 173.97 150.18 0.24 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.398 -178.681 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 558' ' ' PRO . . . . . 0.571 ' HA ' ' HB2' ' A' ' 534' ' ' ALA . 53.4 Cg_endo -70.44 125.41 11.76 Favored 'Trans proline' 0 C--N 1.305 -1.761 0 C-N-CA 122.744 2.296 . . . . 0.0 112.279 179.191 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 11.9 ptm180 -117.93 140.29 49.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.306 -176.431 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 560' ' ' GLN . . . . . 0.474 ' NE2' ' N ' ' A' ' 561' ' ' TRP . 34.4 tp60 -77.93 118.26 20.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.624 176.065 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 561' ' ' TRP . . . . . 0.86 ' CD1' ' HB1' ' A' ' 510' ' ' ALA . 1.1 m95 -57.72 146.83 29.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.353 -177.102 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -94.54 136.7 34.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.832 177.829 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 563' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -45.81 -43.09 12.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.544 -179.492 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 564' ' ' ILE . . . . . 0.43 ' O ' ' OE1' ' A' ' 568' ' ' GLN . 6.3 mm -72.69 -35.78 51.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.544 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 88.8 mt-10 -64.95 -35.15 80.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.595 -178.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 566' ' ' ILE . . . . . 0.525 HD11 ' CB ' ' A' ' 561' ' ' TRP . 46.2 mm -65.83 -49.26 78.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.628 -179.55 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 60.8 t0 -63.41 -49.04 75.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.543 -179.416 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 568' ' ' GLN . . . . . 0.43 ' OE1' ' O ' ' A' ' 564' ' ' ILE . 1.5 mp0 -61.9 -45.3 94.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.518 -178.716 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 569' ' ' PHE . . . . . 0.587 ' CD1' HD11 ' A' ' 455' ' ' LEU . 51.1 t80 -65.48 -43.25 90.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.521 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 21.7 m -60.72 -37.75 82.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.498 177.543 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 82.9 mt-10 -59.85 -40.54 88.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.575 177.47 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 15.2 tp -57.39 -42.12 81.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.523 178.673 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . -68.31 -44.47 75.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.448 179.472 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 574' ' ' SER . . . . . . . . . . . . . 37.4 m -60.32 -32.89 71.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.557 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 43.7 m -58.48 -51.8 68.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.626 -178.722 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -51.91 -38.5 46.4 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 24.0 p -59.62 -30.9 69.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.796 0.331 . . . . 0.0 110.558 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 48.9 mt -63.13 -53.67 49.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.551 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 99.3 t -72.55 -45.97 56.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.492 -178.682 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 580' ' ' LEU . . . . . 0.429 ' O ' ' CB ' ' A' ' 584' ' ' HIS . 49.4 mt -53.55 -36.19 61.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.52 -179.23 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -60.14 -58.46 8.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.72 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 582' ' ' ARG . . . . . . . . . . . . . 57.3 mtm180 -69.86 -40.12 75.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.676 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 43.7 tp -65.14 -54.97 21.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.67 -179.251 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 584' ' ' HIS . . . . . 0.429 ' CB ' ' O ' ' A' ' 580' ' ' LEU . 83.5 t60 -49.94 -32.58 15.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.708 -179.392 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 585' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -77.12 -49.53 15.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.586 -179.423 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 38.0 mt -59.4 -45.61 91.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.647 -178.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 587' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -60.73 -47.35 86.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.598 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 588' ' ' GLN . . . . . 0.5 ' OE1' ' N ' ' A' ' 588' ' ' GLN . 3.2 mp0 -68.82 -49.39 58.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.645 -179.303 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 589' ' ' THR . . . . . . . . . . . . . 51.3 m -58.16 -32.28 68.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.632 -178.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 590' ' ' ILE . . . . . . . . . . . . . 11.3 mt -61.61 -38.45 80.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.559 -179.292 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -64.09 -31.46 72.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.531 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 60.0 p -72.22 -7.21 48.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.515 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 22.5 mt . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 117.943 -1.027 . . . . 0.0 110.591 -179.749 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 600' ' ' PVN . . . . . 0.799 H521 ' CD2' ' A' ' 499' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 429' ' ' MET . . . . . . . . . . . . . 64.3 mtt . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 430' ' ' ALA . . . . . . . . . . . . . . . -149.55 157.19 43.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.579 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -75.25 123.37 25.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.586 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 95.5 t -53.3 -39.04 33.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.583 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 55.3 mt-30 -56.41 -37.82 70.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.475 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 39.4 tp -61.45 -39.38 90.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.575 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 435' ' ' SER . . . . . 0.432 ' C ' ' H ' ' A' ' 437' ' ' LEU . 83.3 p -68.07 -25.83 65.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.53 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 436' ' ' GLU . . . . . . . . . . . . . 71.8 tt0 -57.67 -6.54 0.52 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.573 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 437' ' ' LEU . . . . . 0.503 ' N ' HD12 ' A' ' 437' ' ' LEU . 9.7 mp -94.93 115.85 27.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.584 -179.697 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 56.2 ttp180 -173.7 -18.12 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.577 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 439' ' ' ASP . . . . . 0.461 ' CG ' ' H ' ' A' ' 440' ' ' ARG . 43.2 t0 -64.73 -177.85 0.36 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.56 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 440' ' ' ARG . . . . . 0.461 ' H ' ' CG ' ' A' ' 439' ' ' ASP . 7.8 ptp85 -55.89 -30.11 61.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.613 -179.774 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 41.1 mm-40 -67.4 -38.29 84.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.666 -179.037 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -57.87 -55.34 36.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.675 -179.346 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 22.7 pt -59.99 -33.05 51.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.72 -179.059 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 444' ' ' PHE . . . . . 0.418 ' CD1' HG11 ' A' ' 474' ' ' VAL . 4.9 m-85 -77.86 -48.57 16.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.661 -179.599 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -56.85 -22.95 40.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.639 179.598 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 446' ' ' THR . . . . . 0.467 ' O ' ' HB3' ' A' ' 449' ' ' ALA . 82.5 m -74.37 -59.26 2.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.598 -179.258 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 447' ' ' LEU . . . . . 0.425 ' H ' ' HG ' ' A' ' 447' ' ' LEU . 18.2 mt -39.77 -58.86 1.27 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.656 -178.674 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 448' ' ' VAL . . . . . 0.467 HG13 ' N ' ' A' ' 449' ' ' ALA . 12.4 p -56.96 -39.19 63.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.613 -179.094 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 449' ' ' ALA . . . . . 0.467 ' HB3' ' O ' ' A' ' 446' ' ' THR . . . -54.71 -43.09 72.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.713 179.551 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 450' ' ' LYS . . . . . . . . . . . . . 50.6 mttm -74.57 -37.59 62.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.631 179.237 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . -50.13 -51.93 28.79 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -178.666 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 452' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -61.1 -40.91 95.55 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.822 0.344 . . . . 0.0 110.613 -178.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -73.16 -40.37 64.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.607 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 40.2 mt -68.03 -56.19 9.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.614 -179.469 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 455' ' ' LEU . . . . . 0.565 HD11 ' CD1' ' A' ' 569' ' ' PHE . 87.1 mt -70.16 -24.14 63.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.522 -179.772 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . 59.67 41.58 18.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.635 -176.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 5.1 t -91.58 -159.53 0.65 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.502 -179.526 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 458' ' ' ASP . . . . . 0.419 ' O ' ' HB2' ' A' ' 479' ' ' ALA . 46.7 t0 -114.41 -29.88 6.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.632 -178.772 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 459' ' ' ARG . . . . . 0.428 ' O ' ' O ' ' A' ' 553' ' ' HIS . 6.4 ttp180 -147.38 141.5 26.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.756 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 460' ' ' VAL . . . . . . . . . . . . . 9.7 p -151.77 147.89 14.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.296 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 461' ' ' ILE . . . . . . . . . . . . . 13.5 pt -147.64 155.19 10.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.871 0.367 . . . . 0.0 110.875 -178.779 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 462' ' ' VAL . . . . . . . . . . . . . 91.3 t -111.58 131.96 61.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.331 177.772 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 463' ' ' TYR . . . . . 0.855 ' CE1' HD11 ' A' ' 551' ' ' ILE . 1.1 p90 -143.88 144.7 31.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.748 -178.1 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 464' ' ' ALA . . . . . 0.476 ' O ' ' N ' ' A' ' 472' ' ' THR . . . -138.29 166.79 23.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.377 178.155 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 465' ' ' PHE . . . . . 0.416 ' CZ ' HD21 ' A' ' 546' ' ' LEU . 0.0 OUTLIER -98.35 102.07 13.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.528 -179.444 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 466' ' ' ASP . . . . . 0.556 ' CG ' ' H ' ' A' ' 467' ' ' ASP . 31.1 t0 -72.64 -159.09 0.05 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.575 178.661 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 467' ' ' ASP . . . . . 0.556 ' H ' ' CG ' ' A' ' 466' ' ' ASP . 89.7 m-20 -85.35 15.98 4.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.533 -179.626 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 468' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -127.47 7.0 6.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.62 -179.204 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 469' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 64.0 19.47 11.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.551 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 470' ' ' VAL . . . . . . . . . . . . . 99.3 t -106.19 138.3 32.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.56 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -55.94 94.18 0.03 OUTLIER Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.921 -0.871 . . . . 0.0 110.921 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 472' ' ' THR . . . . . 0.476 ' N ' ' O ' ' A' ' 464' ' ' ALA . 18.3 m -46.35 127.61 9.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.813 0.339 . . . . 0.0 110.558 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 473' ' ' VAL . . . . . . . . . . . . . 7.0 t -78.6 67.05 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.543 -179.597 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 474' ' ' VAL . . . . . 0.442 HG23 ' H ' ' A' ' 474' ' ' VAL . 1.5 t -60.1 -67.0 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.587 179.693 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -153.35 144.41 22.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.548 179.088 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 476' ' ' GLU . . . . . 0.548 ' OE2' ' HB3' ' A' ' 485' ' ' ALA . 2.5 tp10 -125.4 133.39 52.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.575 179.253 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 1.3 p -137.01 118.46 14.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.562 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 478' ' ' VAL . . . . . 0.462 ' O ' HG23 ' A' ' 478' ' ' VAL . 6.0 m -125.38 129.75 72.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.545 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 479' ' ' ALA . . . . . 0.419 ' HB2' ' O ' ' A' ' 458' ' ' ASP . . . -57.43 166.65 1.18 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.563 179.468 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 480' ' ' GLU . . . . . 0.573 ' CD ' ' H ' ' A' ' 480' ' ' GLU . 47.6 mp0 -60.67 141.53 56.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.594 -179.303 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 102.34 -30.11 11.1 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.829 -0.909 . . . . 0.0 110.829 177.465 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 482' ' ' TRP . . . . . . . . . . . . . 11.9 m95 -101.08 143.64 26.99 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 120.927 0.394 . . . . 0.0 110.626 179.005 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 483' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -72.94 166.29 30.44 Favored 'Trans proline' 0 C--N 1.304 -1.797 0 C-N-CA 122.916 2.411 . . . . 0.0 112.086 -179.458 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -75.82 121.19 22.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.662 179.716 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 485' ' ' ALA . . . . . 0.548 ' HB3' ' OE2' ' A' ' 476' ' ' GLU . . . -76.05 -11.36 59.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.516 -179.601 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 486' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -51.28 -35.4 37.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.568 -179.708 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 487' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -69.22 -19.78 63.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.457 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -105.75 117.56 34.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.519 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 489' ' ' VAL . . . . . 0.45 ' O ' HG13 ' A' ' 489' ' ' VAL . 14.3 p -110.3 129.67 64.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.591 179.33 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 490' ' ' ILE . . . . . 0.405 HG22 H923 ' A' ' 600' ' ' PVN . 9.7 pt -55.03 126.13 11.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.539 -179.443 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 491' ' ' GLU . . . . . 0.447 ' HB3' HE22 ' A' ' 526' ' ' GLN . 41.5 tp10 -83.95 -35.36 24.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.597 179.633 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 492' ' ' ASP . . . . . 0.578 ' OD2' H5C2 ' A' ' 600' ' ' PVN . 36.8 t0 -64.15 117.65 38.56 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.595 -179.753 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 493' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -79.64 115.43 3.37 Favored 'Trans proline' 0 C--N 1.305 -1.749 0 C-N-CA 122.938 2.426 . . . . 0.0 112.296 179.509 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 494' ' ' CYS . . . . . . . . . . . . . 17.0 t -68.29 -33.39 74.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.575 -179.615 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 495' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -54.53 -46.35 73.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.601 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 496' ' ' ARG . . . . . 0.41 HH22 ' C1 ' ' A' ' 600' ' ' PVN . 67.1 ttp85 -61.47 -37.92 85.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.644 -179.84 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 497' ' ' GLU . . . . . 0.443 ' O ' HG23 ' A' ' 500' ' ' VAL . 90.8 mt-10 -59.82 143.46 51.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.631 -179.709 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 498' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -74.11 -19.84 60.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.615 179.335 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 499' ' ' TRP . . . . . 0.692 ' NE1' H511 ' A' ' 600' ' ' PVN . 89.9 m95 -55.8 -17.76 6.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.59 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 500' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 497' ' ' GLU . 51.0 t -45.35 -43.76 3.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.596 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -65.83 -29.49 69.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.562 179.621 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 502' ' ' ALA . . . . . 0.5 ' HB3' ' O ' ' A' ' 499' ' ' TRP . . . -54.48 -43.88 72.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.556 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 44.3 m-85 -78.34 -27.03 46.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.558 179.023 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 61.1 ttp180 -60.23 -18.88 51.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.57 -179.346 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -105.96 -3.17 22.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.603 -178.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . 83.81 37.32 11.84 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 179.459 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 507' ' ' ARG . . . . . . . . . . . . . 22.1 ttm180 -73.77 148.25 42.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.771 0.319 . . . . 0.0 110.578 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 72.1 mt -107.67 123.88 63.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.565 179.139 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 509' ' ' GLN . . . . . . . . . . . . . 61.5 tp60 -113.64 119.28 36.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.537 -179.285 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 510' ' ' ALA . . . . . 0.781 ' HB1' ' CD1' ' A' ' 561' ' ' TRP . . . -128.73 102.15 6.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.566 178.339 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 511' ' ' THR . . . . . . . . . . . . . 3.8 m -110.97 104.64 13.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.596 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 512' ' ' THR . . . . . . . . . . . . . 70.7 p -52.15 -20.28 2.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.503 179.196 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 513' ' ' ASP . . . . . 0.53 ' N ' ' OD1' ' A' ' 513' ' ' ASP . 5.2 p30 -169.42 117.63 0.63 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.548 -179.198 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 514' ' ' ILE . . . . . 0.575 HG22 ' O ' ' A' ' 514' ' ' ILE . 68.1 mt -69.19 0.32 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.517 179.276 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 515' ' ' PHE . . . . . 0.611 ' CE2' HD22 ' A' ' 524' ' ' LEU . 8.5 m-85 -76.67 -32.24 57.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.485 -178.222 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 15.8 pttp -96.79 27.49 3.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.53 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -130.8 122.75 27.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.57 -177.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . 61.27 44.94 97.45 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 177.243 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 519' ' ' LEU . . . . . . . . . . . . . 63.6 mt -48.49 169.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.77 0.319 . . . . 0.0 110.651 178.017 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 520' ' ' THR . . . . . . . . . . . . . 2.3 m 50.85 33.83 9.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.586 179.314 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 57.0 tt0 -145.96 162.8 37.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.443 179.663 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 522' ' ' CYS . . . . . 0.666 ' O ' ' CG ' ' A' ' 523' ' ' HIS . 0.8 OUTLIER -60.12 126.04 25.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.562 178.566 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 523' ' ' HIS . . . . . 0.666 ' CG ' ' O ' ' A' ' 522' ' ' CYS . 29.0 m-70 -170.24 -80.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.719 -179.116 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 524' ' ' LEU . . . . . 0.704 ' O ' ' HB2' ' A' ' 528' ' ' ARG . 14.2 mt -47.0 -32.1 3.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.694 177.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 525' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -56.61 -42.85 79.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.718 -177.704 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 526' ' ' GLN . . . . . 0.447 HE22 ' HB3' ' A' ' 491' ' ' GLU . 74.9 mt-30 -104.76 -7.14 19.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.54 -179.245 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 527' ' ' LEU . . . . . 0.533 ' O ' HG22 ' A' ' 532' ' ' VAL . 17.4 mt -105.78 -28.97 10.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.559 -176.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 528' ' ' ARG . . . . . 0.704 ' HB2' ' O ' ' A' ' 524' ' ' LEU . 0.0 OUTLIER -68.18 -41.16 24.58 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.31 -177.225 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 529' ' ' PRO . . . . . 0.681 ' CD ' ' N ' ' A' ' 528' ' ' ARG . 32.5 Cg_exo -56.52 -47.2 25.04 Favored 'Trans proline' 0 C--N 1.305 -1.722 0 C-N-CA 122.911 2.407 . . . . 0.0 112.272 -179.08 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 530' ' ' LEU . . . . . 0.643 ' CD1' H921 ' A' ' 600' ' ' PVN . 87.4 mt -68.28 -6.8 25.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.664 -179.248 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 28.6 mtmt 61.08 26.65 16.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.533 178.746 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 532' ' ' VAL . . . . . 0.695 ' O ' HG23 ' A' ' 532' ' ' VAL . 22.0 m -75.73 108.93 8.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.606 179.346 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 87.8 mtt-85 -95.01 -16.43 22.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.384 -179.543 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 534' ' ' ALA . . . . . 0.646 ' HB2' ' HA ' ' A' ' 558' ' ' PRO . . . -129.42 138.47 51.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.155 -179.598 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 535' ' ' ASN . . . . . 0.424 ' HB2' HD11 ' A' ' 514' ' ' ILE . 1.8 t-20 -127.71 117.31 21.7 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.641 -0.424 . . . . 0.0 111.144 179.525 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 536' ' ' LEU . . . . . . . . . . . . . 43.4 tp -130.69 129.13 42.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.919 178.166 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 537' ' ' VAL . . . . . 0.596 HG21 H713 ' A' ' 600' ' ' PVN . 64.7 t -130.41 146.62 33.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.068 0.461 . . . . 0.0 111.162 -178.652 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 538' ' ' VAL . . . . . . . . . . . . . 33.0 m -138.8 131.52 15.84 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.093 178.487 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 539' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -73.01 132.85 18.84 Favored 'Trans proline' 0 C--N 1.304 -1.788 0 C-N-CA 122.761 2.307 . . . . 0.0 112.438 -175.172 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 540' ' ' MET . . . . . 0.531 ' SD ' ' O ' ' A' ' 573' ' ' ALA . 5.5 ttt -125.45 119.36 28.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.087 176.575 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 541' ' ' VAL . . . . . . . . . . . . . 26.2 m -124.97 157.37 33.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.94 0.4 . . . . 0.0 111.103 -176.055 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 61.7 mt -131.69 130.54 62.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.119 178.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 543' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 43.68 50.83 6.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.821 0.343 . . . . 0.0 110.209 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 544' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 58.87 40.39 22.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.465 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 545' ' ' GLN . . . . . . . . . . . . . 41.5 tt0 -142.78 148.49 37.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.641 179.284 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 546' ' ' LEU . . . . . 0.416 HD21 ' CZ ' ' A' ' 465' ' ' PHE . 12.5 tp -84.57 129.89 34.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.607 -179.746 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 547' ' ' PHE . . . . . 0.414 ' CE2' ' CD2' ' A' ' 580' ' ' LEU . 60.4 t80 -115.0 -53.4 2.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.505 -179.08 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -171.17 -177.94 41.33 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -178.619 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 549' ' ' LEU . . . . . . . . . . . . . 4.0 mp -141.13 144.15 34.69 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.807 0.337 . . . . 0.0 110.602 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -96.95 125.98 41.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.283 178.13 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 551' ' ' ILE . . . . . 0.855 HD11 ' CE1' ' A' ' 463' ' ' TYR . 5.6 mt -117.45 139.52 44.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.965 0.412 . . . . 0.0 110.882 -178.582 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -124.26 114.51 19.69 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.156 178.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 553' ' ' HIS . . . . . 0.532 ' CE1' ' CG2' ' A' ' 551' ' ' ILE . 51.9 m80 -109.93 127.92 55.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.872 179.655 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 554' ' ' GLN . . . . . 0.585 ' H ' ' HB3' ' A' ' 534' ' ' ALA . 34.5 tt0 -89.17 117.98 28.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.591 175.151 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -90.91 -6.23 54.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.508 -176.787 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 556' ' ' SER . . . . . . . . . . . . . 89.3 p -95.46 -32.35 12.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.489 -178.073 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 557' ' ' GLU . . . . . 0.453 ' O ' ' OE1' ' A' ' 554' ' ' GLN . 2.6 pt-20 174.15 151.07 0.25 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.369 -178.423 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 558' ' ' PRO . . . . . 0.646 ' HA ' ' HB2' ' A' ' 534' ' ' ALA . 56.0 Cg_endo -72.05 125.34 10.83 Favored 'Trans proline' 0 C--N 1.304 -1.78 0 C-N-CA 122.803 2.336 . . . . 0.0 112.184 178.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 559' ' ' ARG . . . . . 0.433 ' NH1' ' O ' ' A' ' 455' ' ' LEU . 10.8 ptm180 -117.86 141.02 48.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.314 -177.232 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 560' ' ' GLN . . . . . . . . . . . . . 44.9 tp60 -78.52 117.12 19.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.679 176.3 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 561' ' ' TRP . . . . . 0.781 ' CD1' ' HB1' ' A' ' 510' ' ' ALA . 0.9 OUTLIER -58.96 145.56 41.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.355 -176.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.11 139.0 31.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.821 177.867 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 563' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -46.65 -42.63 16.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.478 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 564' ' ' ILE . . . . . . . . . . . . . 1.2 mt -74.13 -34.67 38.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.553 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 -65.94 -36.73 84.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.552 -179.126 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 566' ' ' ILE . . . . . 0.562 HD11 ' CB ' ' A' ' 561' ' ' TRP . 44.5 mm -66.03 -48.48 81.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.659 179.706 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -62.41 -47.93 81.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.624 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 568' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -61.92 -44.53 96.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.574 -179.296 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 569' ' ' PHE . . . . . 0.565 ' CD1' HD11 ' A' ' 455' ' ' LEU . 52.5 t80 -66.81 -44.44 81.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.516 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 20.3 m -58.97 -36.67 75.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.474 177.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 82.8 mt-10 -61.35 -39.1 89.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.525 177.51 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 13.7 tp -57.99 -44.13 86.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.456 178.703 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 573' ' ' ALA . . . . . 0.531 ' O ' ' SD ' ' A' ' 540' ' ' MET . . . -65.98 -44.67 84.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.454 179.385 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 574' ' ' SER . . . . . . . . . . . . . 21.5 t -58.61 -31.77 68.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.495 179.285 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 20.7 m -61.96 -44.83 95.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.583 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -47.15 -38.32 11.44 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 178.464 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 18.7 m -56.43 -39.24 72.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.748 0.309 . . . . 0.0 110.541 178.324 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 57.6 mt -56.55 -49.56 74.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.601 178.08 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 94.1 t -73.77 -52.0 22.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.541 -179.416 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 580' ' ' LEU . . . . . 0.501 ' O ' ' N ' ' A' ' 584' ' ' HIS . 8.5 mp -52.61 -49.6 64.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.507 -179.573 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -56.01 -36.28 67.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.707 -179.682 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 582' ' ' ARG . . . . . . . . . . . . . 59.5 ttm-85 -73.7 -49.22 26.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.715 -179.35 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 62.4 mt -77.29 -49.84 14.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.67 -178.595 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 584' ' ' HIS . . . . . 0.501 ' N ' ' O ' ' A' ' 580' ' ' LEU . 81.8 t60 -47.47 -43.78 24.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.659 -178.651 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 585' ' ' PHE . . . . . 0.473 ' O ' HG23 ' A' ' 589' ' ' THR . 31.4 m-85 -82.1 -52.62 6.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.63 -179.604 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 49.5 tp -56.99 -47.43 80.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.72 -178.653 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 587' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -59.9 -43.71 94.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.669 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 588' ' ' GLN . . . . . 0.548 ' OE1' ' N ' ' A' ' 588' ' ' GLN . 2.3 mp0 -67.32 -50.52 59.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.712 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 589' ' ' THR . . . . . 0.473 HG23 ' O ' ' A' ' 585' ' ' PHE . 47.4 p -57.57 -32.74 67.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.636 -179.353 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 590' ' ' ILE . . . . . . . . . . . . . 2.2 mm -57.63 -44.7 85.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.537 -179.554 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -59.82 -50.0 75.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.576 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 25.5 m -65.04 -32.1 73.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.561 179.372 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 27.5 tp . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 118.02 -0.99 . . . . 0.0 110.55 179.906 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 600' ' ' PVN . . . . . 0.692 H511 ' NE1' ' A' ' 499' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 429' ' ' MET . . . . . . . . . . . . . 24.0 ttt . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 430' ' ' ALA . . . . . . . . . . . . . . . -158.5 -34.29 0.07 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.613 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -65.98 -27.76 68.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.614 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 9.9 p -72.67 -27.61 25.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.538 -179.708 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -56.01 -37.35 69.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.575 -179.594 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 28.2 tp -58.29 -39.34 79.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.638 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 45.8 m -69.66 -26.19 64.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.568 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 436' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -61.15 -27.82 68.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.638 -179.488 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 437' ' ' LEU . . . . . 0.639 ' N ' HD12 ' A' ' 437' ' ' LEU . 9.0 mp -67.76 135.97 53.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.535 -179.763 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 80.0 mtm180 -103.93 9.45 36.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.564 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 439' ' ' ASP . . . . . 0.444 ' OD1' ' N ' ' A' ' 440' ' ' ARG . 56.0 t0 -54.81 148.61 12.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.624 -179.713 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 440' ' ' ARG . . . . . 0.444 ' N ' ' OD1' ' A' ' 439' ' ' ASP . 74.2 ttt180 -55.64 -37.32 68.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.561 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 39.9 mm-40 -69.79 -35.89 75.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.694 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -55.86 -54.73 41.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.573 -179.196 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 24.9 pt -59.37 -30.76 44.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.76 -178.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 444' ' ' PHE . . . . . 0.401 ' CD1' HG11 ' A' ' 474' ' ' VAL . 6.5 m-85 -78.48 -49.33 13.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.678 -179.593 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -56.28 -24.82 45.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.714 179.533 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 446' ' ' THR . . . . . 0.496 ' O ' ' HB3' ' A' ' 449' ' ' ALA . 72.1 m -71.34 -59.59 2.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.56 -179.415 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 447' ' ' LEU . . . . . 0.404 ' C ' ' O ' ' A' ' 446' ' ' THR . 16.0 mt -39.27 -57.42 1.36 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.577 -179.264 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 448' ' ' VAL . . . . . . . . . . . . . 6.0 p -58.35 -37.57 64.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.619 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 449' ' ' ALA . . . . . 0.496 ' HB3' ' O ' ' A' ' 446' ' ' THR . . . -55.94 -43.67 77.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.666 179.161 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 450' ' ' LYS . . . . . . . . . . . . . 80.2 mttt -74.27 -37.86 63.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.639 178.304 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . -50.73 -52.66 28.86 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.114 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 452' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -61.74 -38.78 89.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.729 0.299 . . . . 0.0 110.528 -178.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -74.13 -40.7 62.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.629 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 33.1 mt -67.55 -55.77 12.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.613 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 455' ' ' LEU . . . . . 0.575 HD11 ' CD1' ' A' ' 569' ' ' PHE . 93.5 mt -71.05 -25.14 62.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.584 179.69 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . 59.59 44.48 14.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.694 -176.443 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 457' ' ' CYS . . . . . 0.679 ' CB ' HE22 ' A' ' 554' ' ' GLN . 82.5 m -93.03 -159.1 0.65 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.47 -179.396 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 458' ' ' ASP . . . . . 0.469 ' N ' ' OE1' ' A' ' 554' ' ' GLN . 51.2 t0 -115.12 -28.75 6.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.627 -178.129 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 459' ' ' ARG . . . . . 0.403 HH12 ' HB3' ' A' ' 482' ' ' TRP . 26.4 ttm-85 -148.43 143.91 27.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.775 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 460' ' ' VAL . . . . . . . . . . . . . 62.0 t -148.0 143.74 19.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.292 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 461' ' ' ILE . . . . . . . . . . . . . 15.0 pt -140.16 148.9 22.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.931 -179.682 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 462' ' ' VAL . . . . . . . . . . . . . 40.6 t -111.97 133.35 57.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.398 178.688 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 463' ' ' TYR . . . . . 0.856 ' CE1' HD11 ' A' ' 551' ' ' ILE . 1.4 p90 -146.88 145.28 29.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.745 -178.812 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 464' ' ' ALA . . . . . 0.555 ' O ' HG22 ' A' ' 472' ' ' THR . . . -135.57 163.47 30.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.343 178.279 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 465' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -96.75 101.18 12.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.555 -178.574 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 466' ' ' ASP . . . . . 0.554 ' CG ' ' H ' ' A' ' 467' ' ' ASP . 31.1 t0 -73.12 -159.63 0.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.561 178.546 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 467' ' ' ASP . . . . . 0.554 ' H ' ' CG ' ' A' ' 466' ' ' ASP . 79.6 m-20 -91.71 15.61 12.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.512 -179.392 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 468' ' ' ASN . . . . . 0.449 ' O ' HG23 ' A' ' 470' ' ' VAL . 0.7 OUTLIER -125.0 21.71 8.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.625 -178.909 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 469' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 52.27 16.76 0.63 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.609 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 470' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 468' ' ' ASN . 41.6 t -110.15 136.5 45.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.524 179.77 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 471' ' ' GLY . . . . . 0.632 ' HA3' HD11 ' A' ' 490' ' ' ILE . . . -66.16 88.99 0.13 Allowed Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.904 -0.879 . . . . 0.0 110.904 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 472' ' ' THR . . . . . 0.555 HG22 ' O ' ' A' ' 464' ' ' ALA . 0.1 OUTLIER -47.72 133.82 13.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.774 0.321 . . . . 0.0 110.613 179.876 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 473' ' ' VAL . . . . . . . . . . . . . 4.1 t -76.44 89.06 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.501 -179.176 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 474' ' ' VAL . . . . . 0.401 HG11 ' CD1' ' A' ' 444' ' ' PHE . 2.9 t -73.08 -69.05 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.643 178.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -151.28 141.33 22.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.508 178.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 476' ' ' GLU . . . . . 0.42 ' OE2' ' HB3' ' A' ' 485' ' ' ALA . 4.4 tp10 -123.89 130.8 53.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.602 179.415 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 9.8 t -132.61 114.92 14.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.493 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 478' ' ' VAL . . . . . 0.494 ' O ' HG23 ' A' ' 478' ' ' VAL . 12.9 m -124.33 127.12 72.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.567 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 479' ' ' ALA . . . . . . . . . . . . . . . -57.82 168.57 0.89 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.541 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -61.75 144.15 55.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.541 -179.283 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 102.22 -31.0 9.21 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 178.115 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 482' ' ' TRP . . . . . 0.403 ' HB3' HH12 ' A' ' 459' ' ' ARG . 21.2 m95 -98.86 144.39 28.09 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 120.939 0.4 . . . . 0.0 110.671 178.848 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 483' ' ' PRO . . . . . 0.429 ' CD ' ' NZ ' ' A' ' 531' ' ' LYS . 59.9 Cg_endo -73.72 169.77 21.58 Favored 'Trans proline' 0 C--N 1.305 -1.763 0 C-N-CA 122.808 2.338 . . . . 0.0 112.094 -179.351 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 28.7 mm100 -78.73 112.3 15.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.632 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 485' ' ' ALA . . . . . 0.42 ' HB3' ' OE2' ' A' ' 476' ' ' GLU . . . -77.2 -10.16 59.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.552 -179.521 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 486' ' ' ARG . . . . . . . . . . . . . 65.5 ttt180 -53.53 -32.05 48.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.552 -179.547 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 487' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -71.46 -11.61 60.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.565 -179.196 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 92.1 mt-30 -105.01 117.77 34.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.542 -179.702 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 489' ' ' VAL . . . . . . . . . . . . . 59.2 t -102.3 117.41 47.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.495 179.116 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 490' ' ' ILE . . . . . 0.632 HD11 ' HA3' ' A' ' 471' ' ' GLY . 5.5 pt -52.0 114.62 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.576 -179.478 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 79.0 tt0 -79.35 -33.36 43.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.587 -179.705 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 492' ' ' ASP . . . . . 0.674 ' OD2' H5C2 ' A' ' 600' ' ' PVN . 37.1 t0 -62.33 113.79 9.83 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.629 -179.481 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 493' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -84.99 138.21 6.69 Favored 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 122.914 2.409 . . . . 0.0 112.213 178.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 494' ' ' CYS . . . . . 0.406 ' O ' ' CG1' ' A' ' 500' ' ' VAL . 1.1 t -106.14 -21.19 13.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.513 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 495' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -55.91 -35.69 66.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.616 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 73.0 mtm180 -71.49 157.62 37.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.677 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 497' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 57.37 -176.29 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.598 179.594 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 498' ' ' HIS . . . . . 0.525 ' CG ' ' H ' ' A' ' 499' ' ' TRP . 11.1 t-80 -68.61 -141.79 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.622 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 499' ' ' TRP . . . . . 0.525 ' H ' ' CG ' ' A' ' 498' ' ' HIS . 15.9 t-105 72.77 -47.04 0.66 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.587 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 500' ' ' VAL . . . . . 0.552 HG23 ' N ' ' A' ' 501' ' ' GLU . 13.0 m -53.97 -42.96 56.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.622 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 501' ' ' GLU . . . . . 0.552 ' N ' HG23 ' A' ' 500' ' ' VAL . 95.6 mt-10 -65.31 -30.11 70.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.536 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 502' ' ' ALA . . . . . 0.483 ' HB3' ' O ' ' A' ' 499' ' ' TRP . . . -49.99 -45.56 51.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.551 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 57.6 m-85 -76.17 -28.17 57.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.53 179.467 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 56.1 ttp180 -59.47 -16.65 25.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.588 -179.302 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -103.76 -2.84 25.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.615 -179.255 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . 83.45 36.38 14.5 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -179.538 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 507' ' ' ARG . . . . . . . . . . . . . 60.9 ttm-85 -73.85 147.27 43.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.79 0.329 . . . . 0.0 110.541 -179.564 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 6.7 pt -107.29 123.36 62.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.601 178.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 509' ' ' GLN . . . . . 0.896 HE21 H621 ' A' ' 600' ' ' PVN . 49.5 tt0 -113.01 118.28 34.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.53 -178.673 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 510' ' ' ALA . . . . . 0.791 ' HB1' ' CD1' ' A' ' 561' ' ' TRP . . . -128.79 102.3 6.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.598 178.498 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 511' ' ' THR . . . . . . . . . . . . . 4.1 m -110.4 105.46 14.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.533 -179.656 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 512' ' ' THR . . . . . . . . . . . . . 38.5 p -52.21 -20.2 2.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.592 178.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 513' ' ' ASP . . . . . 0.45 ' OD2' ' NZ ' ' A' ' 516' ' ' LYS . 4.3 p30 -168.19 116.68 0.73 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.567 -179.281 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 514' ' ' ILE . . . . . 0.575 HG22 ' O ' ' A' ' 514' ' ' ILE . 84.6 mt -68.81 -2.54 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.498 179.092 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 515' ' ' PHE . . . . . 0.558 ' CZ ' HD22 ' A' ' 524' ' ' LEU . 7.2 m-85 -75.74 -30.21 59.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.515 -178.88 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 516' ' ' LYS . . . . . 0.45 ' NZ ' ' OD2' ' A' ' 513' ' ' ASP . 49.6 mttp -90.39 27.91 1.58 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.534 179.062 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -133.22 142.64 48.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.612 -177.521 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . 40.99 46.91 4.13 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.936 -0.865 . . . . 0.0 110.936 177.417 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 519' ' ' LEU . . . . . 0.454 ' C ' ' H ' ' A' ' 521' ' ' GLU . 8.9 mt -44.77 154.88 0.12 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.754 0.311 . . . . 0.0 110.577 177.595 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 520' ' ' THR . . . . . . . . . . . . . 1.9 m 72.25 -41.83 0.52 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.589 177.647 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 521' ' ' GLU . . . . . 0.454 ' H ' ' C ' ' A' ' 519' ' ' LEU . 78.8 mt-10 -66.98 159.66 28.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.447 -179.127 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 522' ' ' CYS . . . . . 0.681 ' O ' ' CG ' ' A' ' 523' ' ' HIS . 1.2 p -62.64 130.69 46.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.544 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 523' ' ' HIS . . . . . 0.681 ' CG ' ' O ' ' A' ' 522' ' ' CYS . 17.9 m170 -170.09 -78.68 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.638 -179.315 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 524' ' ' LEU . . . . . 0.704 ' O ' ' HB2' ' A' ' 528' ' ' ARG . 15.7 mt -45.52 -29.71 1.24 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.754 177.384 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 525' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -55.1 -44.28 74.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.72 -177.606 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 526' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -103.34 -7.52 20.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.576 -179.698 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 527' ' ' LEU . . . . . 0.619 ' O ' HG22 ' A' ' 532' ' ' VAL . 13.4 mt -104.4 -30.94 9.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.548 -177.061 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 528' ' ' ARG . . . . . 0.704 ' HB2' ' O ' ' A' ' 524' ' ' LEU . 0.0 OUTLIER -66.84 -42.69 45.04 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.331 -177.482 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 529' ' ' PRO . . . . . 0.666 ' CD ' ' N ' ' A' ' 528' ' ' ARG . 37.6 Cg_exo -55.51 -45.83 36.77 Favored 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 122.968 2.445 . . . . 0.0 112.205 -179.065 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 22.2 mt -68.04 -6.18 21.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.643 -179.344 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 531' ' ' LYS . . . . . 0.429 ' NZ ' ' CD ' ' A' ' 483' ' ' PRO . 22.6 mtmt 62.13 27.92 16.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.522 177.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 532' ' ' VAL . . . . . 0.718 ' O ' HG23 ' A' ' 532' ' ' VAL . 23.5 m -75.53 105.87 4.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.628 178.819 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 533' ' ' ARG . . . . . 0.463 ' NH1' ' O ' ' A' ' 556' ' ' SER . 89.7 mtt180 -91.82 -13.19 31.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.33 -179.659 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 534' ' ' ALA . . . . . 0.64 ' HB2' ' HA ' ' A' ' 558' ' ' PRO . . . -135.63 141.89 45.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.132 -179.751 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 535' ' ' ASN . . . . . 0.437 ' ND2' H712 ' A' ' 600' ' ' PVN . 24.9 t-20 -128.34 119.91 25.99 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.711 -0.396 . . . . 0.0 111.254 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 536' ' ' LEU . . . . . . . . . . . . . 64.5 tp -132.5 128.1 36.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.979 177.369 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 537' ' ' VAL . . . . . 0.419 HG22 HG23 ' A' ' 551' ' ' ILE . 64.0 t -130.14 147.49 33.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.063 0.458 . . . . 0.0 111.237 -177.862 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 538' ' ' VAL . . . . . . . . . . . . . 35.3 m -139.91 132.84 15.1 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.098 178.681 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 539' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -72.52 136.48 26.12 Favored 'Trans proline' 0 C--N 1.305 -1.76 0 C-N-CA 122.778 2.319 . . . . 0.0 112.486 -175.408 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 540' ' ' MET . . . . . 0.509 ' SD ' ' O ' ' A' ' 573' ' ' ALA . 5.2 ttt -133.68 116.36 15.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.078 176.569 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 541' ' ' VAL . . . . . . . . . . . . . 31.5 m -124.06 156.77 31.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.002 0.43 . . . . 0.0 111.114 -176.202 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 89.0 mt -126.25 129.46 72.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.062 179.114 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 543' ' ' ASP . . . . . . . . . . . . . 58.1 t0 44.22 45.88 7.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.322 -179.346 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 544' ' ' ASP . . . . . . . . . . . . . 42.5 t0 63.26 39.18 9.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.449 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 545' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -138.35 147.54 43.6 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.534 179.504 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 546' ' ' LEU . . . . . . . . . . . . . 33.3 tp -78.71 125.18 29.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.639 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 547' ' ' PHE . . . . . 0.429 ' O ' ' HB1' ' A' ' 464' ' ' ALA . 69.9 t80 -114.46 -53.89 2.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.466 -179.217 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 548' ' ' GLY . . . . . 0.585 ' C ' HD12 ' A' ' 549' ' ' LEU . . . -175.2 -177.45 44.29 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 -179.223 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 549' ' ' LEU . . . . . 0.585 HD12 ' C ' ' A' ' 548' ' ' GLY . 5.3 mp -143.69 142.99 31.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.843 0.354 . . . . 0.0 110.548 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 550' ' ' LEU . . . . . 0.616 HD12 ' N ' ' A' ' 550' ' ' LEU . 7.4 mp -93.81 124.81 38.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.293 179.306 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 551' ' ' ILE . . . . . 0.856 HD11 ' CE1' ' A' ' 463' ' ' TYR . 5.2 mt -116.59 138.54 46.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.929 -178.82 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -123.96 114.16 19.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.269 178.152 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 553' ' ' HIS . . . . . 0.539 ' CE1' ' CG2' ' A' ' 551' ' ' ILE . 56.0 m80 -108.51 128.5 54.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.963 0.411 . . . . 0.0 110.803 -179.479 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 554' ' ' GLN . . . . . 0.679 HE22 ' CB ' ' A' ' 457' ' ' CYS . 4.3 tp-100 -88.01 114.76 24.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.643 174.549 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -89.0 -7.56 55.75 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.498 -176.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 556' ' ' SER . . . . . 0.463 ' O ' ' NH1' ' A' ' 533' ' ' ARG . 14.4 t -94.3 -32.42 13.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.541 -177.791 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 173.86 150.76 0.24 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.419 -178.219 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 558' ' ' PRO . . . . . 0.64 ' HA ' ' HB2' ' A' ' 534' ' ' ALA . 51.7 Cg_endo -70.22 124.58 11.03 Favored 'Trans proline' 0 C--N 1.304 -1.791 0 C-N-CA 122.751 2.301 . . . . 0.0 112.289 178.793 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 559' ' ' ARG . . . . . 0.512 ' NH2' ' OE1' ' A' ' 565' ' ' GLU . 9.0 ptm180 -117.65 140.69 49.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.372 -176.748 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 560' ' ' GLN . . . . . . . . . . . . . 39.0 tp60 -78.23 116.87 18.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.652 176.354 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 561' ' ' TRP . . . . . 0.791 ' CD1' ' HB1' ' A' ' 510' ' ' ALA . 1.0 OUTLIER -60.12 146.83 41.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.323 -177.296 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -93.01 139.16 30.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.873 177.865 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 563' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -47.41 -42.73 22.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.488 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 564' ' ' ILE . . . . . 0.402 ' N ' HD13 ' A' ' 564' ' ' ILE . 6.3 mm -74.71 -34.33 33.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.506 179.531 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 565' ' ' GLU . . . . . 0.512 ' OE1' ' NH2' ' A' ' 559' ' ' ARG . 90.1 mt-10 -68.03 -37.9 81.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.558 -179.478 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 566' ' ' ILE . . . . . 0.561 HD11 ' HB2' ' A' ' 561' ' ' TRP . 98.1 mt -68.25 -48.85 71.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.547 -179.711 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -61.64 -45.44 94.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.581 -179.609 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 568' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -64.8 -43.46 93.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.538 -179.503 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 569' ' ' PHE . . . . . 0.575 ' CD1' HD11 ' A' ' 455' ' ' LEU . 50.1 t80 -63.96 -42.49 97.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.502 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 23.1 t -60.86 -39.78 90.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.459 178.036 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 -57.34 -39.57 76.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.521 177.561 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 13.2 tp -58.77 -43.94 90.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.498 178.647 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 573' ' ' ALA . . . . . 0.509 ' O ' ' SD ' ' A' ' 540' ' ' MET . . . -65.47 -45.85 82.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.436 179.782 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 574' ' ' SER . . . . . . . . . . . . . 20.2 t -62.4 -33.55 74.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.602 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 31.9 m -53.72 -54.95 30.8 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.515 -178.681 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 576' ' ' GLY . . . . . 0.401 ' O ' HD13 ' A' ' 580' ' ' LEU . . . -52.64 -36.88 49.57 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 577' ' ' SER . . . . . 0.42 ' OG ' ' CG ' ' A' ' 540' ' ' MET . 1.9 m -59.7 -37.37 78.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.783 0.325 . . . . 0.0 110.519 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 33.9 mt -57.17 -53.21 60.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.557 -178.795 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 72.0 t -70.44 -52.77 26.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.482 -178.702 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 580' ' ' LEU . . . . . 0.401 HD13 ' O ' ' A' ' 576' ' ' GLY . 7.4 mp -50.56 -33.94 23.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.568 -179.232 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 581' ' ' GLU . . . . . 0.458 ' O ' ' CD1' ' A' ' 585' ' ' PHE . 85.9 tt0 -58.29 -55.22 37.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.629 -179.539 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 582' ' ' ARG . . . . . . . . . . . . . 93.1 mtt180 -83.31 -33.3 25.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.823 -179.167 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 583' ' ' LEU . . . . . 0.569 HD23 ' C ' ' A' ' 583' ' ' LEU . 3.5 tt -67.38 -61.23 2.01 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.651 -178.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 584' ' ' HIS . . . . . . . . . . . . . 76.9 t60 -54.67 -43.26 72.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.602 -178.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 585' ' ' PHE . . . . . 0.458 ' CD1' ' O ' ' A' ' 581' ' ' GLU . 9.5 m-85 -67.03 -44.77 79.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.671 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 27.7 tp -49.78 -51.21 41.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.642 179.414 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 587' ' ' GLU . . . . . 0.443 ' HA ' HD12 ' A' ' 590' ' ' ILE . 92.5 mt-10 -53.97 -35.69 62.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.635 178.656 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 588' ' ' GLN . . . . . . . . . . . . . 8.5 tp60 -62.89 -47.41 83.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.657 179.607 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 589' ' ' THR . . . . . . . . . . . . . 36.3 m -57.49 -34.1 68.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.553 -179.074 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 590' ' ' ILE . . . . . 0.443 HD12 ' HA ' ' A' ' 587' ' ' GLU . 73.4 mt -54.48 -47.45 70.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.614 -178.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -65.89 -24.13 66.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.534 -179.656 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 4.9 t -62.11 -9.75 8.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.578 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 593' ' ' LEU . . . . . 0.597 HD12 ' N ' ' A' ' 593' ' ' LEU . 9.9 mp . . . . . 0 C--O 1.221 -0.445 0 CA-C-O 117.978 -1.011 . . . . 0.0 110.545 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 600' ' ' PVN . . . . . 0.896 H621 HE21 ' A' ' 509' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 429' ' ' MET . . . . . . . . . . . . . 71.2 mtm . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 430' ' ' ALA . . . . . . . . . . . . . . . 62.03 30.45 17.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.633 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -82.96 112.37 19.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.584 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 98.9 t -100.8 -35.09 4.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.577 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -59.69 -40.17 86.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.533 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 66.0 mt -61.83 -40.54 95.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.586 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 19.2 m -65.94 -40.69 91.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.59 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 436' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -75.11 6.94 3.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.579 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 437' ' ' LEU . . . . . . . . . . . . . 15.1 tp -74.61 116.78 15.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.616 179.705 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 438' ' ' ARG . . . . . 0.437 ' CA ' ' HE ' ' A' ' 438' ' ' ARG . 0.0 OUTLIER -173.13 76.08 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.607 -179.807 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 439' ' ' ASP . . . . . 0.449 ' OD1' ' N ' ' A' ' 440' ' ' ARG . 56.5 t0 -140.76 147.57 39.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.538 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 440' ' ' ARG . . . . . 0.449 ' N ' ' OD1' ' A' ' 439' ' ' ASP . 82.0 mtp180 -55.94 -34.13 65.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.602 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 45.5 mm-40 -68.94 -38.03 79.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.654 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -56.59 -54.67 43.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.714 -179.438 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 28.3 pt -60.32 -30.46 46.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.704 -179.101 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 444' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -79.56 -49.11 12.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.664 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -56.89 -23.99 48.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.74 179.532 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 446' ' ' THR . . . . . 0.487 ' O ' ' HB3' ' A' ' 449' ' ' ALA . 78.4 m -72.69 -59.49 2.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.635 -179.26 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 447' ' ' LEU . . . . . 0.406 ' HG ' ' H ' ' A' ' 447' ' ' LEU . 15.8 mt -39.19 -58.29 1.19 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.611 -179.219 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 448' ' ' VAL . . . . . 0.418 HG13 ' N ' ' A' ' 449' ' ' ALA . 7.1 p -57.43 -37.78 59.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.61 -179.739 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 449' ' ' ALA . . . . . 0.487 ' HB3' ' O ' ' A' ' 446' ' ' THR . . . -56.75 -45.09 82.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.623 179.201 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 450' ' ' LYS . . . . . . . . . . . . . 82.0 mttt -71.18 -43.62 67.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.657 178.769 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . -48.49 -48.95 27.55 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 452' ' ' ARG . . . . . . . . . . . . . 59.4 ttp180 -58.14 -42.89 86.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.826 0.346 . . . . 0.0 110.638 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -74.38 -38.09 63.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.659 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 33.5 mt -67.62 -56.49 9.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.574 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 455' ' ' LEU . . . . . 0.565 HD11 ' CE1' ' A' ' 569' ' ' PHE . 87.3 mt -70.73 -26.55 63.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.55 179.33 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . 59.56 44.16 15.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.684 -175.7 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 457' ' ' CYS . . . . . 0.588 ' SG ' ' NH1' ' A' ' 559' ' ' ARG . 65.0 m -91.38 -159.42 0.64 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.495 -179.46 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 458' ' ' ASP . . . . . 0.448 ' N ' ' NE2' ' A' ' 554' ' ' GLN . 52.7 t0 -114.87 -28.86 6.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.584 -178.282 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 459' ' ' ARG . . . . . . . . . . . . . 10.5 ttp180 -148.08 142.67 26.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.703 -179.49 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 460' ' ' VAL . . . . . 0.423 ' O ' ' O ' ' A' ' 477' ' ' SER . 39.8 t -148.83 144.2 18.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.287 179.558 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 461' ' ' ILE . . . . . . . . . . . . . 13.9 pt -143.12 152.21 16.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.869 0.366 . . . . 0.0 110.829 -178.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 462' ' ' VAL . . . . . . . . . . . . . 45.5 t -113.23 133.18 59.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.339 177.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 463' ' ' TYR . . . . . 0.57 ' CD1' ' C ' ' A' ' 463' ' ' TYR . 0.0 OUTLIER -144.01 145.33 32.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.744 -177.954 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 464' ' ' ALA . . . . . 0.502 ' N ' ' CD1' ' A' ' 463' ' ' TYR . . . -137.92 164.91 27.82 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.425 176.784 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 465' ' ' PHE . . . . . 0.477 ' CG ' ' O ' ' A' ' 465' ' ' PHE . 17.0 p90 -107.75 109.42 20.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.586 -179.051 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 466' ' ' ASP . . . . . 0.569 ' CG ' ' H ' ' A' ' 467' ' ' ASP . 31.2 t0 -73.63 -156.21 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.56 179.172 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 467' ' ' ASP . . . . . 0.569 ' H ' ' CG ' ' A' ' 466' ' ' ASP . 43.8 t0 -89.88 18.06 6.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.55 -179.811 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 468' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -126.49 8.14 7.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.555 -178.534 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 469' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 64.03 17.53 10.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.572 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 470' ' ' VAL . . . . . . . . . . . . . 98.3 t -103.81 135.39 41.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.614 179.577 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -63.97 106.02 1.28 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 472' ' ' THR . . . . . . . . . . . . . 63.8 m -65.73 135.91 55.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.81 0.338 . . . . 0.0 110.589 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 473' ' ' VAL . . . . . 0.445 ' H ' HG22 ' A' ' 473' ' ' VAL . 4.5 m -85.7 71.63 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.504 -179.429 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 2.8 t -60.16 -68.07 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.678 179.239 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -151.81 141.9 22.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.592 179.062 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 476' ' ' GLU . . . . . 0.519 ' OE1' ' N ' ' A' ' 486' ' ' ARG . 63.5 tt0 -127.31 134.54 50.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.521 179.215 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 477' ' ' SER . . . . . 0.423 ' O ' ' O ' ' A' ' 460' ' ' VAL . 25.1 p -132.35 113.79 13.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.474 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 478' ' ' VAL . . . . . 0.479 ' O ' HG23 ' A' ' 478' ' ' VAL . 24.7 m -123.99 127.4 73.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.684 179.741 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 479' ' ' ALA . . . . . . . . . . . . . . . -58.06 167.36 1.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.569 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -61.33 145.93 49.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.54 -179.248 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 100.35 -31.07 8.94 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 177.778 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 482' ' ' TRP . . . . . . . . . . . . . 22.4 m95 -98.5 141.12 22.4 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 120.948 0.404 . . . . 0.0 110.651 178.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 483' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_endo -74.49 173.23 14.64 Favored 'Trans proline' 0 C--N 1.306 -1.701 0 C-N-CA 122.845 2.363 . . . . 0.0 112.111 -179.104 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -87.54 119.78 28.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.646 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 485' ' ' ALA . . . . . 0.51 ' N ' ' OE2' ' A' ' 476' ' ' GLU . . . -75.95 -8.36 56.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.55 -179.615 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 486' ' ' ARG . . . . . 0.519 ' N ' ' OE1' ' A' ' 476' ' ' GLU . 74.3 ttt180 -50.32 -29.78 10.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.615 -179.347 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 487' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -67.8 -15.42 63.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.543 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -108.11 114.44 28.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.559 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 489' ' ' VAL . . . . . 0.629 ' O ' HG13 ' A' ' 489' ' ' VAL . 9.9 p -91.74 113.32 26.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.523 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 490' ' ' ILE . . . . . 0.543 ' CG2' H912 ' A' ' 600' ' ' PVN . 62.0 mt -45.7 103.94 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.599 179.49 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -79.37 -31.7 42.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.551 -179.655 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 492' ' ' ASP . . . . . 0.589 ' OD2' H322 ' A' ' 600' ' ' PVN . 39.7 t0 -69.18 117.86 56.2 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.541 -179.623 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 493' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -80.31 149.62 19.44 Favored 'Trans proline' 0 C--N 1.304 -1.764 0 C-N-CA 122.981 2.454 . . . . 0.0 112.206 179.407 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 494' ' ' CYS . . . . . 0.491 ' O ' ' CG1' ' A' ' 500' ' ' VAL . 8.9 t -101.49 -27.11 13.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.517 -179.588 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 495' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -61.84 -46.66 88.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.643 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -59.89 -36.13 76.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.608 -179.6 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 497' ' ' GLU . . . . . 0.532 ' HG2' H5C1 ' A' ' 600' ' ' PVN . 90.8 mt-10 -56.23 141.89 39.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.612 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 498' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -80.45 -20.01 44.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.593 179.545 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 499' ' ' TRP . . . . . 0.813 ' CD1' H511 ' A' ' 600' ' ' PVN . 44.9 m95 -62.9 -17.9 62.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.586 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 500' ' ' VAL . . . . . 0.491 ' CG1' ' O ' ' A' ' 494' ' ' CYS . 24.5 m -42.17 -38.34 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.643 179.755 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -62.13 -34.7 76.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.544 179.329 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 502' ' ' ALA . . . . . 0.519 ' N ' ' O ' ' A' ' 499' ' ' TRP . . . -57.02 -39.49 74.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.607 179.566 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 -79.51 -33.43 42.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.58 179.353 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 56.7 ttp180 -54.8 -17.68 3.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.595 179.021 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -87.9 -10.07 51.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.633 179.506 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . 80.61 2.75 90.0 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.602 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 507' ' ' ARG . . . . . 0.561 ' CG ' ' H ' ' A' ' 508' ' ' ILE . 32.4 ttm180 -57.26 175.64 0.14 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.828 0.347 . . . . 0.0 110.577 -179.024 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 508' ' ' ILE . . . . . 0.561 ' H ' ' CG ' ' A' ' 507' ' ' ARG . 71.4 mt -115.16 136.03 53.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.618 -179.181 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 509' ' ' GLN . . . . . . . . . . . . . 11.3 tp-100 -112.13 119.77 39.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.567 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 510' ' ' ALA . . . . . 0.818 ' HB1' ' CD1' ' A' ' 561' ' ' TRP . . . -129.69 101.62 5.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.581 179.179 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 511' ' ' THR . . . . . . . . . . . . . 5.1 m -109.35 103.69 12.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.612 179.73 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 512' ' ' THR . . . . . . . . . . . . . 41.6 p -51.57 -20.48 1.97 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.455 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 513' ' ' ASP . . . . . 0.438 ' OD1' ' O ' ' A' ' 513' ' ' ASP . 15.3 p30 -168.81 116.47 0.66 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.563 -178.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 514' ' ' ILE . . . . . 0.59 HG22 ' O ' ' A' ' 514' ' ' ILE . 87.5 mt -68.46 -2.32 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.52 178.784 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 515' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -72.02 -29.38 64.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.548 -179.107 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 77.4 mttt -93.27 27.58 2.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.543 179.334 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -130.88 141.05 50.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.486 -177.68 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . 41.04 44.81 3.72 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 177.191 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 519' ' ' LEU . . . . . 0.548 ' C ' HG23 ' A' ' 520' ' ' THR . 2.1 mt -42.47 155.69 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.756 0.312 . . . . 0.0 110.661 177.766 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 520' ' ' THR . . . . . 0.548 HG23 ' C ' ' A' ' 519' ' ' LEU . 2.2 p 67.83 -41.7 0.44 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.622 178.08 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 521' ' ' GLU . . . . . 0.521 ' H ' ' C ' ' A' ' 519' ' ' LEU . 58.8 tt0 -66.95 162.44 21.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.391 -178.862 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 522' ' ' CYS . . . . . 0.696 ' O ' ' CG ' ' A' ' 523' ' ' HIS . 0.8 OUTLIER -58.28 124.52 19.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.544 179.326 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 523' ' ' HIS . . . . . 0.696 ' CG ' ' O ' ' A' ' 522' ' ' CYS . 13.0 m170 -173.19 -80.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.646 -178.849 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 524' ' ' LEU . . . . . 0.509 ' O ' ' N ' ' A' ' 528' ' ' ARG . 0.6 OUTLIER -49.5 -34.87 18.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.754 178.169 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 525' ' ' ASN . . . . . . . . . . . . . 47.2 t-20 -58.42 -41.5 85.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.672 -178.15 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 526' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 -100.51 -8.7 22.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.588 -178.661 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 527' ' ' LEU . . . . . 0.487 HD13 HG21 ' A' ' 514' ' ' ILE . 17.2 mt -105.37 -24.12 12.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.58 -178.173 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 528' ' ' ARG . . . . . 0.708 ' N ' ' CD ' ' A' ' 529' ' ' PRO . 18.0 tpt180 -67.28 -39.9 23.76 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.274 -177.794 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 529' ' ' PRO . . . . . 0.708 ' CD ' ' N ' ' A' ' 528' ' ' ARG . 34.9 Cg_exo -59.66 -46.46 20.28 Favored 'Trans proline' 0 C--N 1.306 -1.69 0 C-N-CA 122.922 2.415 . . . . 0.0 112.225 -177.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 530' ' ' LEU . . . . . 0.519 ' HB2' HG13 ' A' ' 532' ' ' VAL . 49.7 mt -67.73 -8.53 36.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.704 -178.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 19.8 mtmt 62.61 27.66 16.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.474 178.167 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 532' ' ' VAL . . . . . 0.672 ' O ' HG23 ' A' ' 532' ' ' VAL . 31.2 m -76.46 108.75 9.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.671 178.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 69.0 mtp85 -95.38 -14.39 23.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.311 -179.601 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 534' ' ' ALA . . . . . 0.668 ' HB3' ' H ' ' A' ' 554' ' ' GLN . . . -131.92 139.68 48.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.1 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 535' ' ' ASN . . . . . 0.548 ' OD1' H621 ' A' ' 600' ' ' PVN . 17.3 t-20 -127.9 118.54 23.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.921 0.391 . . . . 0.0 111.198 -179.753 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 536' ' ' LEU . . . . . 0.401 ' O ' HG23 ' A' ' 551' ' ' ILE . 64.5 tp -132.89 126.69 32.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.953 176.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 537' ' ' VAL . . . . . 0.481 HG12 ' HD3' ' A' ' 539' ' ' PRO . 39.2 t -127.83 144.35 37.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.923 0.392 . . . . 0.0 111.237 -176.476 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 538' ' ' VAL . . . . . 0.632 HG23 ' O ' ' A' ' 538' ' ' VAL . 27.1 m -155.28 82.16 3.95 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.093 178.693 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 539' ' ' PRO . . . . . 0.481 ' HD3' HG12 ' A' ' 537' ' ' VAL . 78.7 Cg_endo -87.22 137.73 4.51 Favored 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.807 2.338 . . . . 0.0 112.445 -176.463 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 540' ' ' MET . . . . . 0.533 ' SD ' ' O ' ' A' ' 573' ' ' ALA . 5.9 ptt? -92.67 150.28 20.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.101 177.182 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 541' ' ' VAL . . . . . . . . . . . . . 20.5 m -121.9 143.52 34.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.148 -176.484 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 542' ' ' ILE . . . . . 0.528 HD12 ' CD2' ' A' ' 547' ' ' PHE . 96.7 mt -135.8 128.11 46.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.094 178.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 543' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 57.97 44.9 18.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.213 -179.376 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 544' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 58.37 41.41 23.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.408 179.374 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 545' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -157.38 148.52 21.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.554 179.501 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 546' ' ' LEU . . . . . 0.751 HD12 ' N ' ' A' ' 546' ' ' LEU . 6.7 mp -76.22 142.47 41.46 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.575 179.567 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 547' ' ' PHE . . . . . 0.528 ' CD2' HD12 ' A' ' 542' ' ' ILE . 2.2 t80 -116.72 -37.17 3.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.55 -179.338 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -156.73 161.26 30.88 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 -178.75 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 549' ' ' LEU . . . . . 0.499 HD12 ' N ' ' A' ' 549' ' ' LEU . 1.4 mp -137.44 114.5 10.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.813 0.339 . . . . 0.0 110.623 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 550' ' ' LEU . . . . . 0.574 HD12 ' N ' ' A' ' 550' ' ' LEU . 10.4 mp -94.35 113.54 25.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.292 179.441 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 551' ' ' ILE . . . . . 0.513 ' CG2' ' CE1' ' A' ' 553' ' ' HIS . 9.8 mt -118.66 139.35 46.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.916 -178.268 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -124.83 116.53 22.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.195 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 553' ' ' HIS . . . . . 0.513 ' CE1' ' CG2' ' A' ' 551' ' ' ILE . 48.1 m80 -109.94 128.62 55.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.905 0.383 . . . . 0.0 110.822 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 554' ' ' GLN . . . . . 0.668 ' H ' ' HB3' ' A' ' 534' ' ' ALA . 23.3 tp60 -88.24 112.78 23.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.65 174.755 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -87.62 -7.34 57.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.452 -176.501 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 556' ' ' SER . . . . . . . . . . . . . 86.0 p -94.26 -31.4 14.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.477 -177.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 173.3 150.13 0.23 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.364 -178.595 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 558' ' ' PRO . . . . . 0.586 ' HA ' ' HB2' ' A' ' 534' ' ' ALA . 52.1 Cg_endo -70.05 125.11 11.62 Favored 'Trans proline' 0 C--N 1.305 -1.72 0 C-N-CA 122.826 2.351 . . . . 0.0 112.188 179.02 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 559' ' ' ARG . . . . . 0.588 ' NH1' ' SG ' ' A' ' 457' ' ' CYS . 15.6 ptm180 -117.19 140.17 49.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.349 -176.392 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 560' ' ' GLN . . . . . . . . . . . . . 36.4 tp60 -78.57 116.19 18.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.638 176.239 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 561' ' ' TRP . . . . . 0.818 ' CD1' ' HB1' ' A' ' 510' ' ' ALA . 0.9 OUTLIER -59.99 136.7 58.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.337 -177.161 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.4 138.81 35.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.836 177.843 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 563' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -47.37 -43.23 23.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.48 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 564' ' ' ILE . . . . . 0.451 ' N ' HD13 ' A' ' 564' ' ' ILE . 5.0 mm -74.07 -35.03 40.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.584 179.463 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -67.52 -37.01 82.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.558 -179.489 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 566' ' ' ILE . . . . . 0.556 HD11 ' HB2' ' A' ' 561' ' ' TRP . 96.7 mt -66.61 -50.19 68.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.68 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 61.8 t0 -61.77 -45.83 92.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.59 -179.543 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 568' ' ' GLN . . . . . 0.596 ' O ' ' HG2' ' A' ' 571' ' ' GLU . 51.5 mt-30 -63.39 -45.97 88.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.57 -179.266 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 569' ' ' PHE . . . . . 0.565 ' CE1' HD11 ' A' ' 455' ' ' LEU . 47.5 t80 -62.74 -42.71 99.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.495 -179.466 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 84.4 p -61.61 -27.75 68.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.483 178.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 571' ' ' GLU . . . . . 0.596 ' HG2' ' O ' ' A' ' 568' ' ' GLN . 3.9 pt-20 -66.49 -39.24 88.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.478 179.142 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 572' ' ' LEU . . . . . 0.584 ' N ' ' HG2' ' A' ' 571' ' ' GLU . 12.9 tp -59.1 -43.98 91.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.551 179.105 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 573' ' ' ALA . . . . . 0.533 ' O ' ' SD ' ' A' ' 540' ' ' MET . . . -65.58 -45.65 82.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.468 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 574' ' ' SER . . . . . . . . . . . . . 85.2 p -61.68 -32.01 72.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.529 179.701 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 31.9 m -56.34 -53.5 56.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.579 -179.042 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 576' ' ' GLY . . . . . 0.506 ' O ' ' N ' ' A' ' 580' ' ' LEU . . . -53.07 -38.77 56.48 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 19.0 p -58.73 -28.68 66.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.765 0.316 . . . . 0.0 110.488 -179.421 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 21.4 mt -68.14 -53.46 25.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.54 -179.512 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 579' ' ' VAL . . . . . 0.593 HG13 ' N ' ' A' ' 580' ' ' LEU . 10.9 p -85.06 -45.57 17.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.528 -178.81 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 580' ' ' LEU . . . . . 0.593 ' N ' HG13 ' A' ' 579' ' ' VAL . 38.8 tp -48.82 -40.52 29.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.534 -179.55 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -67.08 -53.38 31.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.608 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 582' ' ' ARG . . . . . . . . . . . . . 52.6 mtm180 -66.73 -35.2 79.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.676 -179.559 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 50.8 tp -73.51 -56.69 4.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.636 -179.396 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 584' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -49.5 -39.17 33.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.641 -179.332 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 585' ' ' PHE . . . . . 0.43 ' CE2' HG21 ' A' ' 589' ' ' THR . 72.4 t80 -73.01 -48.59 34.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.664 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 28.1 tp -50.58 -51.36 49.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.75 179.554 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 587' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -57.94 -37.43 74.09 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.659 179.065 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 588' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -64.61 -51.57 61.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.674 -179.139 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 589' ' ' THR . . . . . 0.43 HG21 ' CE2' ' A' ' 585' ' ' PHE . 71.0 p -60.39 -30.43 69.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.58 -178.376 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 590' ' ' ILE . . . . . . . . . . . . . 35.2 mt -64.24 -32.66 58.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.572 -179.021 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -65.26 -59.73 3.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.586 -179.715 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 26.6 t -63.17 -36.65 84.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.567 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 36.7 mt . . . . . 0 C--O 1.219 -0.532 0 CA-C-O 118.032 -0.985 . . . . 0.0 110.551 179.789 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 600' ' ' PVN . . . . . 0.813 H511 ' CD1' ' A' ' 499' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 429' ' ' MET . . . . . . . . . . . . . 90.1 mtp . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 430' ' ' ALA . . . . . . . . . . . . . . . -151.73 156.29 40.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.573 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -80.47 61.58 4.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.526 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 7.2 p -51.21 -34.86 15.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.556 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -57.74 -37.67 74.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.598 -179.637 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 12.3 tp -60.2 -40.74 91.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.588 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 44.3 m -61.72 -31.82 72.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.599 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 436' ' ' GLU . . . . . . . . . . . . . 27.3 tp10 -58.93 -8.14 1.29 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.644 -179.628 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 437' ' ' LEU . . . . . . . . . . . . . 39.3 mt -92.57 109.35 20.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.597 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 51.7 ttt85 -174.44 -13.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.582 -179.702 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 54.6 p30 -62.93 -178.51 0.22 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.615 -179.523 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 68.6 ttt180 -55.5 -33.77 64.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.542 -179.701 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 42.3 mm-40 -69.98 -33.69 72.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.683 -179.685 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -57.03 -55.25 37.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.72 -179.327 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 24.5 pt -59.04 -29.14 40.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.764 -179.29 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 444' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -79.17 -49.22 12.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.617 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -56.73 -25.56 54.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.661 179.661 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 446' ' ' THR . . . . . 0.468 ' O ' ' N ' ' A' ' 449' ' ' ALA . 98.0 m -71.06 -60.26 2.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.628 -179.319 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 447' ' ' LEU . . . . . 0.462 ' H ' ' HG ' ' A' ' 447' ' ' LEU . 16.6 mt -38.42 -55.66 1.35 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.591 -179.552 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 448' ' ' VAL . . . . . . . . . . . . . 7.7 p -61.14 -35.49 66.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.674 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 449' ' ' ALA . . . . . 0.468 ' N ' ' O ' ' A' ' 446' ' ' THR . . . -59.46 -46.98 87.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.681 179.473 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 450' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -68.51 -45.44 72.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.632 178.199 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . -48.29 -47.2 28.04 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 179.189 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 452' ' ' ARG . . . . . . . . . . . . . 68.9 ttp85 -56.62 -43.81 80.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.828 0.346 . . . . 0.0 110.665 179.546 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -77.27 -38.34 51.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.655 -179.28 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 39.3 mt -66.47 -59.07 3.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.649 -179.358 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 455' ' ' LEU . . . . . 0.557 HD21 ' HB2' ' A' ' 569' ' ' PHE . 88.7 mt -71.26 -26.77 63.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.549 179.2 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . 59.5 42.47 17.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.612 -175.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 457' ' ' CYS . . . . . 0.525 ' SG ' ' O ' ' A' ' 459' ' ' ARG . 40.2 t -94.2 138.61 32.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.429 -178.467 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 458' ' ' ASP . . . . . 0.815 ' H ' ' NE2' ' A' ' 554' ' ' GLN . 45.0 t0 -48.7 -32.86 9.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.601 178.814 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 459' ' ' ARG . . . . . 0.59 HH21 HG12 ' A' ' 478' ' ' VAL . 21.7 mtp-105 -147.14 144.97 29.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.751 -178.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 460' ' ' VAL . . . . . . . . . . . . . 7.5 p -150.88 145.02 16.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.276 178.474 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 461' ' ' ILE . . . . . . . . . . . . . 13.9 pt -144.45 153.17 15.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.871 -178.134 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 462' ' ' VAL . . . . . . . . . . . . . 93.0 t -113.52 134.19 57.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.345 177.439 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 463' ' ' TYR . . . . . 0.547 ' O ' ' CD1' ' A' ' 463' ' ' TYR . 0.0 OUTLIER -141.32 142.28 33.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.704 -177.913 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 464' ' ' ALA . . . . . 0.543 ' O ' HG22 ' A' ' 472' ' ' THR . . . -136.47 164.32 28.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.346 177.666 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 465' ' ' PHE . . . . . 0.487 ' O ' ' CD2' ' A' ' 465' ' ' PHE . 13.3 p90 -100.51 104.39 15.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.539 -179.178 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 466' ' ' ASP . . . . . 0.575 ' CG ' ' H ' ' A' ' 467' ' ' ASP . 35.9 t0 -72.45 -159.37 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.496 179.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 467' ' ' ASP . . . . . 0.575 ' H ' ' CG ' ' A' ' 466' ' ' ASP . 88.2 m-20 -92.5 14.14 17.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.618 -179.269 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 468' ' ' ASN . . . . . 0.459 ' O ' ' N ' ' A' ' 470' ' ' VAL . 0.6 OUTLIER -124.98 28.38 6.44 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.544 -178.484 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 469' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 46.83 15.77 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.629 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 470' ' ' VAL . . . . . 0.459 ' N ' ' O ' ' A' ' 468' ' ' ASN . 25.3 t -108.32 133.8 52.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.582 179.132 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -65.6 98.35 0.33 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 472' ' ' THR . . . . . 0.543 HG22 ' O ' ' A' ' 464' ' ' ALA . 0.0 OUTLIER -57.23 130.83 47.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.858 0.361 . . . . 0.0 110.613 179.701 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 473' ' ' VAL . . . . . 0.422 ' H ' HG22 ' A' ' 473' ' ' VAL . 3.1 m -78.61 79.67 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.532 -179.194 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 474' ' ' VAL . . . . . 0.439 HG23 ' H ' ' A' ' 474' ' ' VAL . 2.0 t -59.07 -67.16 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.631 178.775 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -150.7 141.42 22.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.56 179.052 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 476' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -125.59 131.69 52.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.611 179.171 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 23.1 t -134.89 118.66 17.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.474 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 478' ' ' VAL . . . . . 0.59 HG12 HH21 ' A' ' 459' ' ' ARG . 4.7 m -123.78 126.64 73.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.568 179.733 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 479' ' ' ALA . . . . . 0.499 ' HB2' ' O ' ' A' ' 458' ' ' ASP . . . -57.48 169.05 0.69 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.491 179.742 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 480' ' ' GLU . . . . . 0.535 ' CD ' ' H ' ' A' ' 480' ' ' GLU . 47.9 mp0 -61.72 143.75 55.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.58 -179.149 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 100.15 -30.55 9.89 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.871 -0.892 . . . . 0.0 110.871 178.483 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 482' ' ' TRP . . . . . . . . . . . . . 13.1 m95 -100.59 146.66 32.43 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 120.964 0.412 . . . . 0.0 110.668 178.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 483' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -78.28 168.39 21.74 Favored 'Trans proline' 0 C--N 1.304 -1.782 0 C-N-CA 122.889 2.393 . . . . 0.0 112.093 -178.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 19.6 mm100 -80.1 117.35 20.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.681 179.701 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -76.15 -10.5 59.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.491 -179.458 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 486' ' ' ARG . . . . . . . . . . . . . 71.0 ttt180 -54.5 -31.82 56.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.606 -179.367 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 487' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -68.57 -11.79 60.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.551 -179.183 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 488' ' ' GLN . . . . . 0.635 ' OE1' HD21 ' A' ' 530' ' ' LEU . 83.4 mt-30 -105.76 116.46 31.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.516 179.784 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 489' ' ' VAL . . . . . . . . . . . . . 91.0 t -89.86 103.65 14.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.554 179.693 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 490' ' ' ILE . . . . . 0.833 HG21 H912 ' A' ' 600' ' ' PVN . 4.9 pt -51.99 116.32 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.554 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 42.7 tp10 -78.87 -24.54 44.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.551 -179.016 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 492' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -59.97 122.37 65.48 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.538 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 493' ' ' PRO . . . . . 0.542 ' C ' ' H ' ' A' ' 495' ' ' PHE . 96.9 Cg_endo -79.75 -40.21 0.25 Allowed 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 122.917 2.412 . . . . 0.0 112.18 -179.551 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 494' ' ' CYS . . . . . 0.4 ' HB2' ' HN4' ' A' ' 600' ' ' PVN . 3.9 t 68.85 -35.42 0.3 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.569 -179.727 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 495' ' ' PHE . . . . . 0.542 ' H ' ' C ' ' A' ' 493' ' ' PRO . 68.2 t80 -56.91 -39.16 73.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.567 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 496' ' ' ARG . . . . . 0.419 ' O ' ' O ' ' A' ' 495' ' ' PHE . 64.2 mtp85 -47.51 176.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.573 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 497' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 56.59 -167.7 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.58 -179.716 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 498' ' ' HIS . . . . . . . . . . . . . 74.3 m80 -97.91 5.89 48.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.645 -179.681 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 499' ' ' TRP . . . . . 0.558 ' NE1' H522 ' A' ' 600' ' ' PVN . 13.1 m95 -52.1 -32.09 33.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.603 -179.728 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 500' ' ' VAL . . . . . 0.43 HG13 ' O ' ' A' ' 495' ' ' PHE . 19.4 m -56.95 -40.15 70.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.629 179.542 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 501' ' ' GLU . . . . . 0.423 ' N ' HG23 ' A' ' 500' ' ' VAL . 84.4 tt0 -63.64 -32.98 74.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.542 179.359 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 502' ' ' ALA . . . . . . . . . . . . . . . -56.11 -45.23 79.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.608 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 503' ' ' TYR . . . . . 0.419 ' CD1' ' CD2' ' A' ' 549' ' ' LEU . 75.0 m-85 -78.9 -26.18 43.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.589 179.262 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 10.9 tpp85 -62.36 -17.58 59.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.561 -179.284 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -105.81 -2.88 22.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.644 -179.098 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . 84.3 37.5 10.96 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.45 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 507' ' ' ARG . . . . . . . . . . . . . 57.4 ttt-85 -73.28 147.13 44.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.696 0.284 . . . . 0.0 110.6 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 78.9 mt -107.19 123.56 62.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.602 179.203 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 509' ' ' GLN . . . . . . . . . . . . . 48.9 tp60 -112.74 118.07 33.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.503 -179.031 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 510' ' ' ALA . . . . . 0.74 ' HB1' ' CD1' ' A' ' 561' ' ' TRP . . . -127.86 101.16 6.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.589 178.123 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 511' ' ' THR . . . . . . . . . . . . . 4.7 m -110.3 105.15 14.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.567 -179.155 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 512' ' ' THR . . . . . . . . . . . . . 37.1 p -52.41 -20.71 3.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.515 179.304 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 513' ' ' ASP . . . . . 0.508 ' N ' ' OD1' ' A' ' 513' ' ' ASP . 17.2 p-10 -168.03 117.76 0.78 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.566 -179.073 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 514' ' ' ILE . . . . . 0.604 HG22 ' O ' ' A' ' 514' ' ' ILE . 92.1 mt -70.36 -1.27 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.551 178.553 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 515' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -69.9 -29.13 66.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.544 -178.076 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 18.5 pttp -94.72 29.1 2.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.55 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -129.78 141.46 50.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.535 -177.716 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . 41.36 44.09 3.86 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 176.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 519' ' ' LEU . . . . . 0.499 HD23 ' N ' ' A' ' 519' ' ' LEU . 1.5 mt -43.1 157.71 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.854 0.359 . . . . 0.0 110.594 178.063 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 520' ' ' THR . . . . . . . . . . . . . 2.9 m 68.14 -44.36 0.5 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.579 178.363 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 521' ' ' GLU . . . . . 0.487 ' H ' ' C ' ' A' ' 519' ' ' LEU . 61.0 tt0 -65.64 160.43 22.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.518 -179.581 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 522' ' ' CYS . . . . . 0.69 ' O ' ' CG ' ' A' ' 523' ' ' HIS . 1.5 p -60.71 126.77 28.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.497 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 523' ' ' HIS . . . . . 0.69 ' CG ' ' O ' ' A' ' 522' ' ' CYS . 14.5 m170 -172.06 -79.98 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.642 -178.569 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 524' ' ' LEU . . . . . 0.559 ' O ' ' N ' ' A' ' 528' ' ' ARG . 0.6 OUTLIER -47.76 -33.0 6.53 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.645 177.815 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 525' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -58.09 -41.52 83.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.718 -177.679 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 526' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -98.42 -8.81 26.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.6 -177.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 527' ' ' LEU . . . . . 0.62 ' O ' HG22 ' A' ' 532' ' ' VAL . 43.1 mt -106.86 -25.46 11.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.506 -178.271 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 528' ' ' ARG . . . . . 0.712 ' N ' ' CD ' ' A' ' 529' ' ' PRO . 10.0 tpt180 -66.57 -38.98 21.91 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.294 -178.098 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 529' ' ' PRO . . . . . 0.712 ' CD ' ' N ' ' A' ' 528' ' ' ARG . 31.9 Cg_exo -61.04 -44.81 22.38 Favored 'Trans proline' 0 C--N 1.305 -1.718 0 C-N-CA 122.983 2.455 . . . . 0.0 112.184 -178.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 530' ' ' LEU . . . . . 0.635 HD21 ' OE1' ' A' ' 488' ' ' GLN . 76.5 mt -70.64 -8.28 50.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.689 -179.383 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 531' ' ' LYS . . . . . 0.52 ' HZ2' ' C ' ' A' ' 530' ' ' LEU . 5.3 mtmp? 64.91 26.83 12.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.605 178.656 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 532' ' ' VAL . . . . . 0.661 ' O ' HG23 ' A' ' 532' ' ' VAL . 31.0 m -76.46 109.18 10.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.647 179.064 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 86.3 mtt180 -100.81 -14.4 18.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.434 -179.651 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 534' ' ' ALA . . . . . 0.677 ' HB2' ' HA ' ' A' ' 558' ' ' PRO . . . -127.83 136.93 52.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.141 -179.637 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 535' ' ' ASN . . . . . 0.596 ' ND2' H712 ' A' ' 600' ' ' PVN . 17.7 t-20 -127.75 117.26 21.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.937 0.399 . . . . 0.0 111.178 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 536' ' ' LEU . . . . . . . . . . . . . 52.7 tp -130.47 128.31 40.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.988 178.206 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 50.5 t -131.07 147.62 33.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.999 0.428 . . . . 0.0 111.19 -178.089 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 538' ' ' VAL . . . . . 0.409 ' O ' HG23 ' A' ' 538' ' ' VAL . 18.4 m -139.69 132.17 15.08 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.057 178.543 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 539' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -72.83 137.32 26.84 Favored 'Trans proline' 0 C--N 1.304 -1.79 0 C-N-CA 122.734 2.289 . . . . 0.0 112.535 -175.54 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 540' ' ' MET . . . . . 0.514 ' SD ' ' O ' ' A' ' 573' ' ' ALA . 2.9 ttt -128.37 119.57 25.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.119 176.625 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 541' ' ' VAL . . . . . . . . . . . . . 23.4 m -124.3 154.25 31.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.029 0.443 . . . . 0.0 111.093 -176.024 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 12.9 mt -133.17 129.59 57.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.156 178.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 543' ' ' ASP . . . . . . . . . . . . . 61.5 t0 44.06 49.19 7.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.262 -178.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 544' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 61.07 41.98 13.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.362 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 545' ' ' GLN . . . . . . . . . . . . . 56.7 tp60 -147.9 133.01 18.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.498 179.543 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 546' ' ' LEU . . . . . . . . . . . . . 16.4 tp -73.4 129.92 39.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.536 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 547' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -110.22 -51.06 2.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.465 -178.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -171.58 -178.8 42.21 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.914 -0.875 . . . . 0.0 110.914 -178.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 549' ' ' LEU . . . . . 0.459 HD12 ' N ' ' A' ' 549' ' ' LEU . 3.5 mp -139.1 139.93 37.83 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.825 0.345 . . . . 0.0 110.545 -179.388 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 550' ' ' LEU . . . . . 0.684 HD12 ' N ' ' A' ' 550' ' ' LEU . 7.3 mp -93.27 124.68 37.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.317 178.58 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 551' ' ' ILE . . . . . 0.747 HD13 H813 ' A' ' 600' ' ' PVN . 4.7 mt -118.49 139.59 45.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.948 0.404 . . . . 0.0 110.836 -177.558 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -126.06 118.2 24.81 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.195 178.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 553' ' ' HIS . . . . . 0.508 ' CE1' ' CG2' ' A' ' 551' ' ' ILE . 47.1 m80 -111.99 129.39 56.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.825 -179.689 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 554' ' ' GLN . . . . . 0.815 ' NE2' ' H ' ' A' ' 458' ' ' ASP . 22.4 tp60 -89.95 118.01 29.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.649 174.556 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 555' ' ' ALA . . . . . 0.562 ' HB2' ' HD3' ' A' ' 459' ' ' ARG . . . -90.56 -5.5 55.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.514 -176.594 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 556' ' ' SER . . . . . . . . . . . . . 7.5 t -96.04 -31.26 13.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.5 -178.058 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 173.72 149.34 0.23 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.337 -178.64 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 558' ' ' PRO . . . . . 0.677 ' HA ' ' HB2' ' A' ' 534' ' ' ALA . 43.5 Cg_endo -69.4 124.49 11.29 Favored 'Trans proline' 0 C--N 1.303 -1.819 0 C-N-CA 122.778 2.319 . . . . 0.0 112.239 178.826 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -118.18 140.43 49.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.329 -176.47 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 560' ' ' GLN . . . . . . . . . . . . . 65.3 tp60 -78.62 119.4 21.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.676 176.419 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 561' ' ' TRP . . . . . 0.74 ' CD1' ' HB1' ' A' ' 510' ' ' ALA . 0.7 OUTLIER -62.15 143.01 57.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.351 -177.536 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 74.6 mm-40 -87.66 142.06 28.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.796 177.36 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 563' ' ' GLU . . . . . . . . . . . . . 44.9 tp10 -48.48 -40.36 26.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.531 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 564' ' ' ILE . . . . . 0.773 ' N ' HD13 ' A' ' 564' ' ' ILE . 0.0 OUTLIER -75.15 -32.95 27.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.546 -179.81 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 565' ' ' GLU . . . . . 0.466 ' OE1' HD23 ' A' ' 455' ' ' LEU . 46.6 mm-40 -66.62 -37.86 85.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.605 -179.325 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 566' ' ' ILE . . . . . . . . . . . . . 97.4 mt -67.7 -47.33 80.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.648 179.746 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -64.1 -49.03 73.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.566 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 568' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -61.69 -44.19 97.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.56 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 569' ' ' PHE . . . . . 0.557 ' HB2' HD21 ' A' ' 455' ' ' LEU . 39.4 t80 -66.05 -43.6 87.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.54 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 26.7 m -59.61 -36.27 75.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.487 178.07 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -60.41 -39.48 87.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.461 177.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 15.5 tp -58.08 -44.7 87.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.516 178.753 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 573' ' ' ALA . . . . . 0.514 ' O ' ' SD ' ' A' ' 540' ' ' MET . . . -64.98 -45.13 86.95 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.489 179.691 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 574' ' ' SER . . . . . . . . . . . . . 23.0 t -57.94 -30.15 65.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.533 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 25.6 m -62.1 -44.81 95.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.611 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -49.33 -39.97 29.43 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 178.805 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 29.6 m -55.7 -40.24 72.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.763 0.316 . . . . 0.0 110.579 179.046 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 45.9 mt -55.22 -48.98 73.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.589 178.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 579' ' ' VAL . . . . . 0.411 ' O ' ' CB ' ' A' ' 583' ' ' LEU . 88.3 t -72.96 -57.19 7.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.514 -178.733 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 580' ' ' LEU . . . . . 0.433 ' O ' ' CB ' ' A' ' 584' ' ' HIS . 9.8 mp -50.18 -47.81 54.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.565 -178.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -47.15 -70.46 0.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.651 -179.574 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 582' ' ' ARG . . . . . . . . . . . . . 80.0 mtp180 -66.23 -46.79 75.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.712 -179.176 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 583' ' ' LEU . . . . . 0.411 ' CB ' ' O ' ' A' ' 579' ' ' VAL . 39.4 tp -55.39 -59.03 5.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.613 -179.228 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 584' ' ' HIS . . . . . 0.433 ' CB ' ' O ' ' A' ' 580' ' ' LEU . 83.1 t60 -49.29 -30.48 7.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.693 -179.343 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 585' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -76.49 -50.05 14.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.647 -179.195 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 89.5 mt -62.02 -42.04 98.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.613 -179.199 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 587' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -60.82 -48.99 79.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.593 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 588' ' ' GLN . . . . . 0.478 ' OE1' ' N ' ' A' ' 588' ' ' GLN . 3.9 mp0 -69.69 -45.97 67.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.679 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 589' ' ' THR . . . . . . . . . . . . . 60.4 m -58.31 -34.44 70.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.585 -178.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 590' ' ' ILE . . . . . . . . . . . . . 11.4 mt -58.22 -43.6 86.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.593 -179.202 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -63.94 -27.87 69.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.535 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 15.1 m -70.61 -9.65 57.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.564 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 35.4 mt . . . . . 0 C--O 1.219 -0.545 0 CA-C-O 118.055 -0.974 . . . . 0.0 110.627 -179.915 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 600' ' ' PVN . . . . . 0.833 H912 HG21 ' A' ' 490' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 429' ' ' MET . . . . . . . . . . . . . 9.5 ptt? . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 430' ' ' ALA . . . . . . . . . . . . . . . -62.14 -32.13 72.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.581 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -71.63 130.16 40.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.518 -179.689 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 432' ' ' VAL . . . . . 0.567 HG12 ' H ' ' A' ' 433' ' ' GLN . 0.8 OUTLIER 45.8 -151.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.592 179.732 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 433' ' ' GLN . . . . . 0.567 ' H ' HG12 ' A' ' 432' ' ' VAL . 77.1 mt-30 67.17 -44.03 0.45 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.576 179.704 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 434' ' ' LEU . . . . . 0.494 ' H ' ' C ' ' A' ' 432' ' ' VAL . 84.4 mt -54.89 -45.62 74.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.588 -179.496 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 32.3 m -64.82 -41.41 95.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.547 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 436' ' ' GLU . . . . . . . . . . . . . 21.3 tp10 -83.01 12.58 4.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.566 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 437' ' ' LEU . . . . . . . . . . . . . 14.6 tp -69.18 109.05 3.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.594 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 90.3 mtt180 -150.39 8.42 0.61 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.603 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -67.8 137.16 55.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.605 -179.595 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 40.1 ttp180 -61.63 -33.01 73.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.585 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 40.9 mm-40 -69.88 -33.39 72.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.633 -179.648 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -56.33 -55.69 30.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.626 -179.117 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 20.7 pt -58.71 -32.56 46.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.687 -178.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 444' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -78.73 -50.14 11.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.654 -179.497 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -55.93 -24.44 37.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.684 179.597 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 446' ' ' THR . . . . . 0.518 ' O ' ' HB3' ' A' ' 449' ' ' ALA . 98.9 m -71.41 -59.72 2.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.728 -179.591 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 447' ' ' LEU . . . . . 0.413 ' H ' ' HG ' ' A' ' 447' ' ' LEU . 15.5 mt -38.84 -58.06 1.14 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.62 -179.743 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 448' ' ' VAL . . . . . . . . . . . . . 7.0 p -57.68 -36.99 56.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.642 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 449' ' ' ALA . . . . . 0.518 ' HB3' ' O ' ' A' ' 446' ' ' THR . . . -56.04 -43.19 77.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.681 179.325 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 450' ' ' LYS . . . . . 0.475 ' NZ ' ' CG2' ' A' ' 446' ' ' THR . 25.1 mttp -73.9 -37.05 64.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.598 178.336 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . -51.97 -52.7 33.82 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.212 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 452' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -60.41 -40.2 90.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.791 0.329 . . . . 0.0 110.623 -179.021 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -74.06 -38.91 63.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.597 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 39.0 mt -68.51 -56.85 6.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.533 179.765 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 455' ' ' LEU . . . . . 0.577 HD21 ' HB2' ' A' ' 569' ' ' PHE . 95.1 mt -70.35 -25.39 63.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.564 179.386 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . 59.66 44.06 14.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.643 -176.273 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 457' ' ' CYS . . . . . 0.577 ' C ' HE22 ' A' ' 554' ' ' GLN . 68.2 m -91.47 -159.15 0.61 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.515 -179.833 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 458' ' ' ASP . . . . . 0.471 ' N ' ' NE2' ' A' ' 554' ' ' GLN . 50.7 t0 -114.26 -27.11 7.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.668 -178.398 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 459' ' ' ARG . . . . . 0.462 HH21 ' CG1' ' A' ' 478' ' ' VAL . 74.2 mtp180 -151.44 147.41 26.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.77 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 460' ' ' VAL . . . . . 0.49 HG13 ' O ' ' A' ' 551' ' ' ILE . 18.5 t -147.94 142.46 19.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.248 179.265 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 461' ' ' ILE . . . . . . . . . . . . . 9.1 tt -137.74 141.82 37.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.84 -179.319 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 462' ' ' VAL . . . . . 0.437 ' HB ' ' H ' ' A' ' 475' ' ' ALA . 23.3 t -106.51 128.98 60.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.362 179.374 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 463' ' ' TYR . . . . . 0.449 ' CD1' ' C ' ' A' ' 463' ' ' TYR . 0.2 OUTLIER -145.92 146.68 31.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.71 -178.38 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 464' ' ' ALA . . . . . 0.496 ' O ' HG22 ' A' ' 472' ' ' THR . . . -137.77 167.27 22.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.354 178.348 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 465' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -96.01 100.6 12.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.565 -179.15 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 466' ' ' ASP . . . . . 0.564 ' CG ' ' H ' ' A' ' 467' ' ' ASP . 32.8 t0 -73.49 -159.45 0.07 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.602 178.346 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 467' ' ' ASP . . . . . 0.564 ' H ' ' CG ' ' A' ' 466' ' ' ASP . 94.5 m-20 -92.42 14.53 16.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.484 -179.528 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 468' ' ' ASN . . . . . 0.437 ' C ' ' N ' ' A' ' 470' ' ' VAL . 0.4 OUTLIER -126.57 28.24 5.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.596 -178.649 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 469' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 46.48 18.12 0.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.634 179.619 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 470' ' ' VAL . . . . . 0.437 ' N ' ' C ' ' A' ' 468' ' ' ASN . 9.9 p -108.87 141.52 23.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.55 179.512 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -71.88 86.46 0.46 Allowed Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 472' ' ' THR . . . . . 0.496 HG22 ' O ' ' A' ' 464' ' ' ALA . 0.1 OUTLIER -46.38 139.04 5.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.814 0.34 . . . . 0.0 110.56 179.639 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 473' ' ' VAL . . . . . . . . . . . . . 79.6 t -85.6 91.82 3.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.536 -179.048 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 2.4 t -75.55 -68.15 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.59 178.455 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 475' ' ' ALA . . . . . 0.437 ' H ' ' HB ' ' A' ' 462' ' ' VAL . . . -151.14 141.7 22.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.534 178.793 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 476' ' ' GLU . . . . . 0.664 ' OE2' ' HB3' ' A' ' 485' ' ' ALA . 79.1 tt0 -129.0 135.91 49.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.639 179.386 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 60.0 p -133.84 115.56 14.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.597 179.619 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 478' ' ' VAL . . . . . 0.517 ' O ' HG23 ' A' ' 478' ' ' VAL . 5.9 m -122.85 126.87 74.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.562 -179.703 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 479' ' ' ALA . . . . . . . . . . . . . . . -57.17 166.78 1.02 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.412 179.404 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 22.2 pt-20 -61.34 144.93 53.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.616 -179.308 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 100.33 -30.97 9.08 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.836 -0.906 . . . . 0.0 110.836 177.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 482' ' ' TRP . . . . . . . . . . . . . 28.5 m95 -97.3 141.4 22.97 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 120.928 0.394 . . . . 0.0 110.619 179.345 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 483' ' ' PRO . . . . . 0.46 ' CG ' ' HZ1' ' A' ' 531' ' ' LYS . 68.8 Cg_endo -74.68 167.56 26.83 Favored 'Trans proline' 0 C--N 1.304 -1.773 0 C-N-CA 122.824 2.349 . . . . 0.0 112.089 -179.347 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -84.22 123.99 30.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.63 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 485' ' ' ALA . . . . . 0.664 ' HB3' ' OE2' ' A' ' 476' ' ' GLU . . . -75.64 -8.79 57.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.568 -179.494 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 486' ' ' ARG . . . . . 0.414 ' N ' ' OE1' ' A' ' 476' ' ' GLU . 26.6 ttm180 -49.95 -34.52 20.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.514 -179.523 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 487' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -65.45 -18.94 65.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.519 179.706 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 488' ' ' GLN . . . . . 0.496 ' OE1' HD21 ' A' ' 530' ' ' LEU . 88.0 mt-30 -108.23 114.79 28.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.545 179.246 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 489' ' ' VAL . . . . . . . . . . . . . 83.9 t -92.42 113.5 27.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.56 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 490' ' ' ILE . . . . . 0.905 HD13 H912 ' A' ' 600' ' ' PVN . 44.1 mt -45.16 103.77 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.561 179.556 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -79.63 -31.43 41.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.587 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 492' ' ' ASP . . . . . 0.486 ' CG ' H322 ' A' ' 600' ' ' PVN . 39.2 t0 -58.57 110.8 2.88 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.581 -179.349 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 493' ' ' PRO . . . . . 0.55 ' O ' ' N ' ' A' ' 495' ' ' PHE . 96.7 Cg_endo -85.21 -48.75 0.04 OUTLIER 'Trans proline' 0 C--N 1.306 -1.707 0 C-N-CA 122.894 2.396 . . . . 0.0 112.216 179.541 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 494' ' ' CYS . . . . . 0.544 ' SG ' ' O ' ' A' ' 493' ' ' PRO . 9.7 p 44.34 15.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.582 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 495' ' ' PHE . . . . . 0.55 ' N ' ' O ' ' A' ' 493' ' ' PRO . 47.5 t80 -74.9 -45.9 39.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.594 179.718 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 76.8 mtp180 -97.81 88.81 4.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.582 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 497' ' ' GLU . . . . . 0.489 ' OE1' H413 ' A' ' 600' ' ' PVN . 87.0 tt0 -168.51 -84.13 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.568 179.74 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 498' ' ' HIS . . . . . . . . . . . . . 43.6 t-80 -172.23 -24.08 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.61 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 499' ' ' TRP . . . . . 0.618 ' CE3' H511 ' A' ' 600' ' ' PVN . 57.9 t-105 -56.33 -35.01 67.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.525 -179.556 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 500' ' ' VAL . . . . . 0.478 HG21 ' O ' ' A' ' 495' ' ' PHE . 77.5 t -51.08 -39.91 20.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.61 179.746 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -60.83 -29.09 69.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.573 179.57 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 502' ' ' ALA . . . . . 0.429 ' HB3' ' O ' ' A' ' 499' ' ' TRP . . . -57.41 -49.55 75.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.545 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 503' ' ' TYR . . . . . 0.44 ' OH ' H151 ' A' ' 600' ' ' PVN . 50.6 m-85 -77.2 -29.42 54.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.594 179.403 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 57.1 ttp180 -54.44 -26.28 29.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.592 -179.705 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 505' ' ' GLN . . . . . 0.411 ' OE1' ' NE ' ' A' ' 507' ' ' ARG . 41.3 tt0 -83.69 -8.98 59.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.585 -179.277 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . 77.57 -7.82 37.95 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 179.736 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 507' ' ' ARG . . . . . 0.58 ' HG2' ' H ' ' A' ' 508' ' ' ILE . 15.0 ttm180 -50.39 -179.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.778 0.323 . . . . 0.0 110.552 -179.132 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 508' ' ' ILE . . . . . 0.58 ' H ' ' HG2' ' A' ' 507' ' ' ARG . 81.0 mt -120.99 147.63 24.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.561 179.769 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 509' ' ' GLN . . . . . . . . . . . . . 61.9 tp60 -122.28 122.92 40.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.545 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 510' ' ' ALA . . . . . 0.795 ' HB1' ' NE1' ' A' ' 561' ' ' TRP . . . -128.15 100.68 5.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.599 179.325 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 511' ' ' THR . . . . . . . . . . . . . 5.1 m -111.24 104.37 12.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.608 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 512' ' ' THR . . . . . . . . . . . . . 40.1 p -50.51 -20.38 1.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.474 179.488 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 513' ' ' ASP . . . . . 0.503 ' N ' ' OD1' ' A' ' 513' ' ' ASP . 9.0 p30 -168.48 118.15 0.74 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.57 -179.211 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 514' ' ' ILE . . . . . 0.569 HG22 ' O ' ' A' ' 514' ' ' ILE . 69.7 mt -71.24 -0.61 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.429 178.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 515' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -73.4 -30.19 63.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.484 -178.706 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 16.1 pttp -99.24 29.54 3.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.542 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -129.01 142.5 50.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.605 -177.423 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . 42.3 46.4 5.44 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 177.211 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 519' ' ' LEU . . . . . 0.451 HD23 ' N ' ' A' ' 519' ' ' LEU . 3.8 mt -47.48 170.4 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.793 0.33 . . . . 0.0 110.635 178.101 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 520' ' ' THR . . . . . . . . . . . . . 7.4 p 47.1 35.18 3.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.522 178.68 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 49.0 tt0 -146.32 161.74 39.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.496 179.32 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 522' ' ' CYS . . . . . 0.671 ' O ' ' CG ' ' A' ' 523' ' ' HIS . 0.8 OUTLIER -62.19 125.27 23.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.533 178.655 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 523' ' ' HIS . . . . . 0.671 ' CG ' ' O ' ' A' ' 522' ' ' CYS . 15.7 m170 -170.96 -80.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.665 -178.668 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 524' ' ' LEU . . . . . 0.595 ' O ' ' HB2' ' A' ' 528' ' ' ARG . 0.6 OUTLIER -47.31 -32.9 5.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.568 177.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 525' ' ' ASN . . . . . . . . . . . . . 55.6 t-20 -55.68 -43.58 76.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.654 -178.074 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 526' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -102.07 -8.3 21.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.571 -179.463 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 527' ' ' LEU . . . . . 0.613 ' O ' HG22 ' A' ' 532' ' ' VAL . 14.2 mt -104.34 -29.88 10.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.602 -177.352 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 528' ' ' ARG . . . . . 0.691 ' N ' ' CD ' ' A' ' 529' ' ' PRO . 0.5 OUTLIER -66.84 -41.6 38.32 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.319 -177.474 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 529' ' ' PRO . . . . . 0.691 ' CD ' ' N ' ' A' ' 528' ' ' ARG . 31.2 Cg_exo -57.4 -45.03 37.27 Favored 'Trans proline' 0 C--N 1.304 -1.79 0 C-N-CA 122.905 2.404 . . . . 0.0 112.232 -178.61 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 530' ' ' LEU . . . . . 0.554 ' HB2' HG13 ' A' ' 532' ' ' VAL . 61.2 mt -68.41 -6.84 26.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.635 -179.664 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 531' ' ' LYS . . . . . 0.46 ' HZ1' ' CG ' ' A' ' 483' ' ' PRO . 9.3 mtmt 62.96 27.17 15.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.529 178.065 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 532' ' ' VAL . . . . . 0.708 ' O ' HG23 ' A' ' 532' ' ' VAL . 23.7 m -75.71 106.79 5.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.605 178.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -93.73 -13.51 27.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.374 -179.642 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 534' ' ' ALA . . . . . 0.648 ' HB2' ' HA ' ' A' ' 558' ' ' PRO . . . -134.31 141.05 46.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.116 -179.426 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 535' ' ' ASN . . . . . 0.426 ' ND2' H712 ' A' ' 600' ' ' PVN . 26.7 t-20 -128.28 119.11 24.48 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.694 -0.402 . . . . 0.0 111.14 -179.658 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 536' ' ' LEU . . . . . . . . . . . . . 58.7 tp -131.58 128.02 38.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.948 177.442 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 537' ' ' VAL . . . . . 0.76 HG22 HD12 ' A' ' 551' ' ' ILE . 53.2 t -129.17 148.22 33.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.99 0.424 . . . . 0.0 111.211 -177.341 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 538' ' ' VAL . . . . . 0.624 HG23 ' O ' ' A' ' 538' ' ' VAL . 27.1 m -145.42 104.84 4.33 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.055 177.234 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 539' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -74.98 140.71 25.82 Favored 'Trans proline' 0 C--N 1.304 -1.804 0 C-N-CA 122.77 2.313 . . . . 0.0 112.462 -173.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 540' ' ' MET . . . . . . . . . . . . . 9.1 ptm -128.69 92.28 3.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.04 176.488 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 541' ' ' VAL . . . . . . . . . . . . . 26.3 m -82.56 154.58 3.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.091 0.472 . . . . 0.0 111.1 -177.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 542' ' ' ILE . . . . . 0.604 HD11 ' CB ' ' A' ' 577' ' ' SER . 39.3 mm -130.03 128.48 64.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.125 179.019 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 543' ' ' ASP . . . . . 0.489 ' OD2' ' CZ ' ' A' ' 585' ' ' PHE . 84.4 m-20 50.35 49.07 21.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.284 -179.324 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 544' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 58.61 40.4 23.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.433 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 545' ' ' GLN . . . . . 0.468 ' O ' ' N ' ' A' ' 542' ' ' ILE . 50.7 tt0 -149.49 147.92 28.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.521 179.764 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 546' ' ' LEU . . . . . . . . . . . . . 12.8 mt -76.66 120.36 21.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.573 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 547' ' ' PHE . . . . . 0.558 ' CE1' HD23 ' A' ' 580' ' ' LEU . 21.9 t80 -98.65 -63.08 1.16 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.492 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 548' ' ' GLY . . . . . 0.463 ' C ' HD12 ' A' ' 549' ' ' LEU . . . -153.66 173.8 32.32 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 549' ' ' LEU . . . . . 0.463 HD12 ' C ' ' A' ' 548' ' ' GLY . 5.0 mp -144.29 130.26 19.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.8 0.333 . . . . 0.0 110.524 -179.62 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 550' ' ' LEU . . . . . 0.668 HD12 ' N ' ' A' ' 550' ' ' LEU . 7.9 mp -93.62 117.14 29.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.303 179.293 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 551' ' ' ILE . . . . . 0.76 HD12 HG22 ' A' ' 537' ' ' VAL . 2.8 mm -113.78 137.63 46.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.851 -178.107 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -124.38 113.92 18.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.219 178.55 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 553' ' ' HIS . . . . . 0.482 ' CE1' ' CG2' ' A' ' 551' ' ' ILE . 61.9 m80 -109.19 128.63 55.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.965 0.412 . . . . 0.0 110.783 -179.505 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 554' ' ' GLN . . . . . 0.577 HE22 ' C ' ' A' ' 457' ' ' CYS . 23.5 tp60 -88.71 117.22 27.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.683 175.014 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 555' ' ' ALA . . . . . 0.402 ' H ' ' HB3' ' A' ' 458' ' ' ASP . . . -92.24 -7.11 49.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.397 -176.719 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 556' ' ' SER . . . . . . . . . . . . . 82.6 p -94.16 -31.93 13.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.467 -177.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 173.68 150.76 0.24 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.456 -178.732 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 558' ' ' PRO . . . . . 0.648 ' HA ' ' HB2' ' A' ' 534' ' ' ALA . 54.2 Cg_endo -70.65 124.07 10.38 Favored 'Trans proline' 0 C--N 1.304 -1.781 0 C-N-CA 122.823 2.349 . . . . 0.0 112.212 179.013 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 559' ' ' ARG . . . . . 0.569 ' NH1' ' SG ' ' A' ' 457' ' ' CYS . 14.3 ptm180 -116.61 139.92 49.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.356 -176.558 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 560' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -77.72 116.43 18.25 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.684 176.263 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 561' ' ' TRP . . . . . 0.795 ' NE1' ' HB1' ' A' ' 510' ' ' ALA . 1.1 m95 -59.05 145.38 42.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.344 -177.202 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -91.64 137.86 32.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.758 177.829 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 563' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -46.4 -42.89 15.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.463 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 564' ' ' ILE . . . . . 0.454 ' N ' HD13 ' A' ' 564' ' ' ILE . 5.0 mm -74.59 -35.24 37.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.517 179.653 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -67.13 -36.67 82.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.542 -179.062 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 566' ' ' ILE . . . . . 0.602 HD11 ' HB2' ' A' ' 561' ' ' TRP . 98.7 mt -69.42 -47.71 71.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.636 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -61.19 -45.46 94.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.514 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 568' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -64.89 -42.74 94.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.545 -179.448 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 569' ' ' PHE . . . . . 0.577 ' HB2' HD21 ' A' ' 455' ' ' LEU . 45.9 t80 -64.02 -42.94 96.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.559 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 24.5 t -60.74 -40.12 91.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.568 177.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 88.3 mt-10 -57.1 -40.4 76.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.512 177.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 13.6 tp -59.37 -45.24 91.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.496 178.746 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . -65.3 -45.76 83.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.46 179.581 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 574' ' ' SER . . . . . . . . . . . . . 86.2 p -62.51 -31.76 72.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.63 179.736 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 35.2 m -53.37 -55.69 22.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.528 -178.505 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -58.32 -40.08 93.54 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 -179.655 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 577' ' ' SER . . . . . 0.604 ' CB ' HD11 ' A' ' 542' ' ' ILE . 0.1 OUTLIER -54.87 -36.6 65.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.736 0.303 . . . . 0.0 110.471 -179.076 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 94.2 mt -58.83 -52.89 63.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.577 -178.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 97.7 t -72.53 -46.12 56.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.525 -179.533 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 580' ' ' LEU . . . . . 0.558 HD23 ' CE1' ' A' ' 547' ' ' PHE . 6.0 mp -53.67 -35.63 61.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.541 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -59.47 -54.42 46.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.658 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 582' ' ' ARG . . . . . . . . . . . . . 84.1 mtm-85 -72.07 -38.51 69.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.724 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 27.7 tp -67.09 -49.29 65.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.601 -179.284 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 584' ' ' HIS . . . . . . . . . . . . . 84.2 t60 -50.04 -43.84 51.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.676 -178.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 585' ' ' PHE . . . . . 0.489 ' CZ ' ' OD2' ' A' ' 543' ' ' ASP . 17.5 m-85 -78.41 -48.76 14.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.601 -179.064 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 27.9 tp -49.54 -51.88 33.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.669 -179.542 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 587' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -60.34 -39.32 86.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.607 179.072 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 588' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 -64.02 -53.19 53.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.694 -179.339 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 589' ' ' THR . . . . . . . . . . . . . 73.6 p -59.9 -28.88 67.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.633 -178.684 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 590' ' ' ILE . . . . . . . . . . . . . 26.9 mt -68.72 -28.53 40.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.605 -179.341 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -66.63 -30.59 70.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.541 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 71.2 m -78.33 -0.65 29.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.527 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 25.6 tp . . . . . 0 C--O 1.219 -0.514 0 CA-C-O 117.956 -1.021 . . . . 0.0 110.574 179.767 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 600' ' ' PVN . . . . . 0.905 H912 HD13 ' A' ' 490' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 429' ' ' MET . . . . . . . . . . . . . 65.3 mtt . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 430' ' ' ALA . . . . . . . . . . . . . . . -161.2 80.65 0.61 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.588 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -80.35 111.06 16.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.568 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 432' ' ' VAL . . . . . 0.565 HG13 ' N ' ' A' ' 433' ' ' GLN . 10.3 p -100.18 -44.96 11.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.553 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 433' ' ' GLN . . . . . 0.565 ' N ' HG13 ' A' ' 432' ' ' VAL . 62.2 tt0 -59.99 -37.79 80.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.587 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 38.1 tp -55.11 -40.54 70.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.611 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 97.0 p -65.77 -31.76 72.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.525 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 436' ' ' GLU . . . . . . . . . . . . . 22.0 tp10 -75.19 3.08 9.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.54 179.632 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 437' ' ' LEU . . . . . . . . . . . . . 23.3 tp -72.56 124.65 25.67 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.581 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 22.3 ttm180 -172.62 -0.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.642 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -58.65 144.75 42.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.627 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -58.44 -32.0 68.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.596 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 47.7 mm-40 -68.31 -32.34 72.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.657 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -61.18 -54.46 44.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.653 -179.493 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 21.3 pt -61.03 -35.13 63.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.728 -179.444 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 444' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -77.67 -50.99 11.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.73 -179.461 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -55.96 -23.01 29.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.735 179.178 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 446' ' ' THR . . . . . 0.495 ' O ' ' HB3' ' A' ' 449' ' ' ALA . 51.5 m -72.2 -58.38 3.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.546 -179.635 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 447' ' ' LEU . . . . . 0.404 ' HG ' ' H ' ' A' ' 447' ' ' LEU . 16.5 mt -39.23 -57.62 1.32 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.609 -179.768 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 448' ' ' VAL . . . . . . . . . . . . . 6.3 p -58.01 -37.76 63.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.654 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 449' ' ' ALA . . . . . 0.495 ' HB3' ' O ' ' A' ' 446' ' ' THR . . . -56.54 -44.94 81.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.695 178.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 450' ' ' LYS . . . . . . . . . . . . . 56.0 mttm -71.09 -41.73 70.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.608 177.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . -49.25 -50.33 29.03 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.931 -0.867 . . . . 0.0 110.931 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 452' ' ' ARG . . . . . . . . . . . . . 68.5 ttp85 -56.85 -43.37 81.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.806 0.336 . . . . 0.0 110.627 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 14.6 tm-20 -75.87 -36.37 59.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.627 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 45.6 mt -68.6 -58.7 3.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.569 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 455' ' ' LEU . . . . . 0.569 HD11 ' CD1' ' A' ' 569' ' ' PHE . 96.3 mt -70.84 -25.22 62.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.546 179.407 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . 60.43 43.46 13.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.661 -176.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 4.9 t -91.98 -159.33 0.64 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.428 -179.745 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 458' ' ' ASP . . . . . 0.422 ' HB3' ' H ' ' A' ' 555' ' ' ALA . 44.7 t0 -115.91 -27.95 6.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.625 -178.423 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 459' ' ' ARG . . . . . . . . . . . . . 6.8 ttp180 -148.9 144.43 26.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.671 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 460' ' ' VAL . . . . . . . . . . . . . 35.4 t -148.51 144.39 18.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.285 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 461' ' ' ILE . . . . . . . . . . . . . 8.3 tt -140.73 144.15 27.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.886 0.374 . . . . 0.0 110.85 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 462' ' ' VAL . . . . . 0.423 ' HB ' ' H ' ' A' ' 475' ' ' ALA . 23.6 t -107.32 131.57 57.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.279 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 463' ' ' TYR . . . . . 0.859 ' CE1' HD11 ' A' ' 551' ' ' ILE . 1.2 p90 -146.42 144.95 30.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.772 -178.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 464' ' ' ALA . . . . . 0.527 ' O ' HG22 ' A' ' 472' ' ' THR . . . -135.4 164.08 28.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.411 179.22 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 465' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -99.27 101.73 13.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.524 -178.782 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 466' ' ' ASP . . . . . 0.504 ' OD1' HG21 ' A' ' 472' ' ' THR . 70.2 m-20 -73.89 -158.22 0.06 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.517 178.022 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 467' ' ' ASP . . . . . 0.4 ' H ' ' HB3' ' A' ' 466' ' ' ASP . 86.1 m-20 -88.85 16.86 6.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.506 -179.507 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 468' ' ' ASN . . . . . 0.419 ' C ' ' N ' ' A' ' 470' ' ' VAL . 1.2 m-20 -127.44 22.98 6.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.563 -179.067 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 469' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 48.31 18.5 0.16 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.54 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 470' ' ' VAL . . . . . 0.419 ' N ' ' C ' ' A' ' 468' ' ' ASN . 9.6 p -106.12 139.1 28.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.563 179.675 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -73.87 93.35 0.74 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 472' ' ' THR . . . . . 0.527 HG22 ' O ' ' A' ' 464' ' ' ALA . 0.1 OUTLIER -55.97 147.05 20.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.717 0.294 . . . . 0.0 110.647 179.925 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 473' ' ' VAL . . . . . . . . . . . . . 39.6 t -89.73 77.43 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.503 -179.345 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 2.3 t -60.15 -67.32 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.662 178.62 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 475' ' ' ALA . . . . . 0.423 ' H ' ' HB ' ' A' ' 462' ' ' VAL . . . -150.14 140.23 22.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.526 179.201 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 476' ' ' GLU . . . . . 0.573 ' OE2' ' N ' ' A' ' 485' ' ' ALA . 67.3 tt0 -128.64 136.13 50.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.598 179.715 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 11.6 t -135.44 116.76 14.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.492 179.467 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 478' ' ' VAL . . . . . 0.494 ' O ' HG23 ' A' ' 478' ' ' VAL . 12.4 m -122.45 127.08 74.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.581 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 479' ' ' ALA . . . . . . . . . . . . . . . -58.3 166.79 1.54 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.534 179.552 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 480' ' ' GLU . . . . . 0.544 ' CD ' ' H ' ' A' ' 480' ' ' GLU . 46.8 mp0 -61.26 144.59 53.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.555 -179.238 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 100.42 -31.1 8.91 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 177.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 482' ' ' TRP . . . . . . . . . . . . . 16.3 m95 -98.78 138.99 20.77 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 120.902 0.382 . . . . 0.0 110.711 178.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 483' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -74.17 166.61 29.16 Favored 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.824 2.349 . . . . 0.0 112.04 -179.524 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -80.11 116.21 20.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.629 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 485' ' ' ALA . . . . . 0.573 ' N ' ' OE2' ' A' ' 476' ' ' GLU . . . -76.24 -9.96 59.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.565 -179.456 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 486' ' ' ARG . . . . . 0.554 ' N ' ' OE1' ' A' ' 476' ' ' GLU . 13.1 ptm180 -51.91 -25.16 7.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.606 -179.338 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 487' ' ' ASP . . . . . . . . . . . . . 51.1 t0 -70.63 -10.39 59.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.487 -179.518 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 96.2 mm-40 -106.4 113.88 27.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.604 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 489' ' ' VAL . . . . . 0.523 HG22 ' N ' ' A' ' 490' ' ' ILE . 13.8 p -69.03 160.68 4.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.524 179.652 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 490' ' ' ILE . . . . . 0.523 ' N ' HG22 ' A' ' 489' ' ' VAL . 25.2 mm -105.12 92.73 2.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.574 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -80.54 -31.47 37.01 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.589 -177.393 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 492' ' ' ASP . . . . . 0.616 ' OD2' H322 ' A' ' 600' ' ' PVN . 30.5 t0 -58.88 113.03 5.87 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.562 -179.222 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 493' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -83.83 -164.12 0.24 Allowed 'Trans proline' 0 C--N 1.305 -1.736 0 C-N-CA 122.947 2.431 . . . . 0.0 112.213 179.565 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 494' ' ' CYS . . . . . . . . . . . . . 49.2 t -156.7 -40.24 0.07 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.587 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 495' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -55.11 -41.9 72.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.579 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -56.06 -34.41 65.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.669 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 497' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -97.07 152.97 18.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.57 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 498' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -65.49 -17.5 64.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.637 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 499' ' ' TRP . . . . . 0.425 ' O ' ' HB3' ' A' ' 502' ' ' ALA . 63.0 t-105 -49.72 -36.51 25.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.627 -179.768 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 500' ' ' VAL . . . . . 0.431 HG13 ' N ' ' A' ' 501' ' ' GLU . 8.1 p -50.36 -37.02 14.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.685 179.47 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 501' ' ' GLU . . . . . 0.431 ' N ' HG13 ' A' ' 500' ' ' VAL . 96.8 mt-10 -66.1 -27.99 68.48 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.614 179.285 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 502' ' ' ALA . . . . . 0.425 ' HB3' ' O ' ' A' ' 499' ' ' TRP . . . -56.44 -43.87 79.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.585 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 503' ' ' TYR . . . . . 0.416 ' CE2' ' NE1' ' A' ' 499' ' ' TRP . 52.3 m-85 -79.88 -27.01 40.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.596 179.223 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 10.5 tpp180 -61.03 -17.86 54.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.653 -179.219 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 505' ' ' GLN . . . . . 0.407 ' CG ' ' O ' ' A' ' 502' ' ' ALA . 11.4 pt20 -104.24 -0.06 28.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.612 -179.254 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . 81.84 36.64 18.44 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.926 -0.869 . . . . 0.0 110.926 179.323 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 507' ' ' ARG . . . . . . . . . . . . . 24.3 ttm180 -75.84 147.82 38.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.806 0.336 . . . . 0.0 110.578 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 7.1 pt -106.5 124.76 62.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.521 179.409 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 509' ' ' GLN . . . . . 0.609 ' OE1' H611 ' A' ' 600' ' ' PVN . 39.6 tt0 -113.6 117.8 32.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.521 -179.089 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 510' ' ' ALA . . . . . 0.733 ' HB1' ' CD1' ' A' ' 561' ' ' TRP . . . -128.35 102.63 6.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.606 178.579 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 511' ' ' THR . . . . . . . . . . . . . 4.7 m -112.49 105.21 13.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.588 -179.432 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 512' ' ' THR . . . . . . . . . . . . . 42.3 p -51.72 -19.94 1.86 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.507 179.136 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 513' ' ' ASP . . . . . 0.526 ' N ' ' OD1' ' A' ' 513' ' ' ASP . 17.9 p-10 -168.65 117.43 0.7 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.502 -179.005 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 514' ' ' ILE . . . . . 0.576 HG22 ' O ' ' A' ' 514' ' ' ILE . 68.7 mt -69.45 0.64 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.506 179.02 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 515' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -75.79 -30.13 58.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.587 -178.335 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 17.9 pttp -97.34 28.18 3.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.576 178.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -131.72 139.33 48.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.519 -177.104 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . 46.33 48.83 15.68 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 176.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 519' ' ' LEU . . . . . 0.409 HD23 ' N ' ' A' ' 519' ' ' LEU . 8.9 mt -58.6 159.81 6.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.785 0.326 . . . . 0.0 110.625 177.572 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 520' ' ' THR . . . . . . . . . . . . . 5.1 p 60.89 26.99 16.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.602 179.232 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -144.84 165.6 27.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.534 179.203 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 522' ' ' CYS . . . . . 0.687 ' O ' ' CG ' ' A' ' 523' ' ' HIS . 1.6 p -58.77 122.07 12.64 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.451 178.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 523' ' ' HIS . . . . . 0.687 ' CG ' ' O ' ' A' ' 522' ' ' CYS . 11.6 m170 -173.44 -81.41 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.639 -178.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 524' ' ' LEU . . . . . 0.53 ' O ' ' N ' ' A' ' 528' ' ' ARG . 0.7 OUTLIER -50.29 -34.79 24.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.683 178.711 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 525' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -58.1 -42.97 86.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.702 -178.196 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 526' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -98.25 -8.25 27.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.59 -178.709 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 527' ' ' LEU . . . . . 0.512 HD13 HG21 ' A' ' 514' ' ' ILE . 16.0 mt -106.01 -24.54 12.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.603 -178.179 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 528' ' ' ARG . . . . . 0.707 ' N ' ' CD ' ' A' ' 529' ' ' PRO . 14.4 tpt180 -66.2 -39.75 30.59 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.325 -177.745 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 529' ' ' PRO . . . . . 0.707 ' CD ' ' N ' ' A' ' 528' ' ' ARG . 34.9 Cg_exo -60.61 -45.45 21.4 Favored 'Trans proline' 0 C--N 1.305 -1.716 0 C-N-CA 122.875 2.383 . . . . 0.0 112.259 -178.22 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 530' ' ' LEU . . . . . 0.75 ' CD1' H921 ' A' ' 600' ' ' PVN . 53.2 mt -68.22 -7.01 26.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.638 -178.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 22.7 mtmt 60.6 26.76 16.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.523 178.519 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 532' ' ' VAL . . . . . 0.672 ' O ' HG23 ' A' ' 532' ' ' VAL . 31.1 m -75.53 109.27 8.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.602 179.203 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 533' ' ' ARG . . . . . 0.543 ' NH1' ' O ' ' A' ' 555' ' ' ALA . 70.6 mtt85 -96.04 -16.39 21.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.448 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 534' ' ' ALA . . . . . 0.66 ' HB2' ' HA ' ' A' ' 558' ' ' PRO . . . -129.63 138.27 51.14 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.101 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 535' ' ' ASN . . . . . 0.845 HD21 H612 ' A' ' 600' ' ' PVN . 39.6 t30 -128.19 118.16 22.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.9 0.381 . . . . 0.0 111.247 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 536' ' ' LEU . . . . . . . . . . . . . 43.0 tp -130.86 128.08 39.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.932 177.53 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 537' ' ' VAL . . . . . 0.634 HG21 H713 ' A' ' 600' ' ' PVN . 59.1 t -130.5 148.21 33.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.973 0.416 . . . . 0.0 111.23 -177.844 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 538' ' ' VAL . . . . . . . . . . . . . 33.1 m -141.06 130.76 12.96 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.085 178.333 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 539' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -72.78 137.32 26.95 Favored 'Trans proline' 0 C--N 1.304 -1.768 0 C-N-CA 122.807 2.338 . . . . 0.0 112.483 -175.318 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 540' ' ' MET . . . . . 0.499 ' SD ' ' O ' ' A' ' 573' ' ' ALA . 4.6 ttp -126.8 118.92 25.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.103 176.729 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 541' ' ' VAL . . . . . 0.459 HG13 ' O ' ' A' ' 545' ' ' GLN . 8.6 t -122.45 143.7 34.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.023 0.44 . . . . 0.0 111.088 -176.024 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 542' ' ' ILE . . . . . 0.505 HD12 ' CD1' ' A' ' 547' ' ' PHE . 71.7 mt -123.26 129.22 75.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.136 178.603 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 543' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 42.74 49.72 5.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.228 -179.482 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 544' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 57.75 39.82 26.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.482 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 545' ' ' GLN . . . . . 0.459 ' O ' HG13 ' A' ' 541' ' ' VAL . 58.1 tt0 -141.02 144.87 35.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.555 179.368 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 546' ' ' LEU . . . . . . . . . . . . . 34.5 tp -74.42 127.04 32.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.584 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 547' ' ' PHE . . . . . 0.505 ' CD1' HD12 ' A' ' 542' ' ' ILE . 73.9 t80 -112.68 -59.34 2.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.523 -179.433 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 548' ' ' GLY . . . . . 0.469 ' C ' HD12 ' A' ' 549' ' ' LEU . . . -172.61 -178.22 42.55 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 -179.233 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 549' ' ' LEU . . . . . 0.475 ' C ' HD12 ' A' ' 550' ' ' LEU . 5.1 mp -142.17 141.27 32.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.762 0.315 . . . . 0.0 110.585 -179.841 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 550' ' ' LEU . . . . . 0.617 HD12 ' N ' ' A' ' 550' ' ' LEU . 7.6 mp -95.05 125.96 40.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.331 179.245 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 551' ' ' ILE . . . . . 0.859 HD11 ' CE1' ' A' ' 463' ' ' TYR . 5.2 mt -117.53 139.81 43.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.926 0.393 . . . . 0.0 110.879 -179.256 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -124.39 114.25 19.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.192 178.386 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 553' ' ' HIS . . . . . 0.537 ' CE1' ' CG2' ' A' ' 551' ' ' ILE . 51.4 m80 -109.65 127.63 54.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.968 0.413 . . . . 0.0 110.791 179.699 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 554' ' ' GLN . . . . . 0.628 ' H ' ' HB3' ' A' ' 534' ' ' ALA . 30.2 tt0 -88.63 117.8 27.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.667 175.063 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 555' ' ' ALA . . . . . 0.543 ' O ' ' NH1' ' A' ' 533' ' ' ARG . . . -90.75 -6.32 54.56 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.514 -176.569 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 556' ' ' SER . . . . . . . . . . . . . 41.4 t -96.01 -32.59 12.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.508 -177.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 557' ' ' GLU . . . . . 0.451 ' O ' ' CD ' ' A' ' 554' ' ' GLN . 4.1 pt-20 174.62 149.71 0.25 Allowed Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.404 -178.507 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 558' ' ' PRO . . . . . 0.66 ' HA ' ' HB2' ' A' ' 534' ' ' ALA . 55.8 Cg_endo -71.49 125.7 11.48 Favored 'Trans proline' 0 C--N 1.305 -1.735 0 C-N-CA 122.748 2.299 . . . . 0.0 112.225 179.276 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 559' ' ' ARG . . . . . 0.509 ' NH1' ' O ' ' A' ' 455' ' ' LEU . 15.5 ptm180 -117.12 141.02 48.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.348 -177.008 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 560' ' ' GLN . . . . . 0.438 ' NE2' ' N ' ' A' ' 561' ' ' TRP . 35.2 tp60 -78.2 116.92 19.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.644 176.046 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 561' ' ' TRP . . . . . 0.733 ' CD1' ' HB1' ' A' ' 510' ' ' ALA . 0.9 OUTLIER -59.49 144.62 46.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.367 -177.073 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.13 138.5 31.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.771 177.696 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 563' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -46.76 -41.79 15.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.516 -179.673 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 564' ' ' ILE . . . . . . . . . . . . . 6.6 mm -73.08 -34.87 46.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.5 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -66.42 -36.82 83.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.636 -179.271 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 566' ' ' ILE . . . . . 0.56 HD11 ' CB ' ' A' ' 561' ' ' TRP . 45.7 mm -66.54 -48.84 79.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.597 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -61.69 -46.86 87.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.543 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 568' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -63.68 -43.53 96.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.481 -179.386 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 569' ' ' PHE . . . . . 0.569 ' CD1' HD11 ' A' ' 455' ' ' LEU . 40.6 t80 -65.87 -43.96 86.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.52 -179.628 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 34.7 m -59.54 -36.23 75.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.435 177.698 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 86.9 mt-10 -62.61 -39.74 94.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.481 177.496 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 14.3 tp -58.12 -44.95 88.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.507 178.622 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 573' ' ' ALA . . . . . 0.499 ' O ' ' SD ' ' A' ' 540' ' ' MET . . . -66.01 -44.24 85.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.39 179.496 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 574' ' ' SER . . . . . . . . . . . . . 23.2 t -61.87 -33.76 74.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.529 179.376 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 48.7 m -53.87 -54.58 36.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.544 -178.778 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -51.45 -36.78 39.01 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 179.611 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 2.5 m -58.85 -33.32 70.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.787 0.327 . . . . 0.0 110.547 179.636 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 31.9 mt -62.88 -54.93 31.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.623 -178.716 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 579' ' ' VAL . . . . . 0.469 HG13 ' N ' ' A' ' 580' ' ' LEU . 7.3 p -74.11 -41.08 51.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.521 -178.677 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 580' ' ' LEU . . . . . 0.469 ' N ' HG13 ' A' ' 579' ' ' VAL . 58.6 mt -57.74 -36.49 72.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.51 -179.635 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 581' ' ' GLU . . . . . 0.403 ' OE1' ' N ' ' A' ' 582' ' ' ARG . 14.3 tm-20 -59.93 -51.14 70.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.684 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 582' ' ' ARG . . . . . 0.403 ' N ' ' OE1' ' A' ' 581' ' ' GLU . 60.7 mtm180 -75.28 -36.59 61.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.644 -179.522 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 24.3 tp -72.34 -53.04 13.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.625 -179.151 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 584' ' ' HIS . . . . . 0.45 ' CB ' ' O ' ' A' ' 580' ' ' LEU . 83.4 t60 -49.59 -39.36 35.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.668 -179.268 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 585' ' ' PHE . . . . . 0.445 ' O ' HG23 ' A' ' 589' ' ' THR . 11.5 m-85 -79.6 -50.07 11.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.587 -179.448 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 35.1 tp -53.13 -49.38 66.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.653 -179.185 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 587' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -60.43 -43.22 96.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.678 179.592 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 588' ' ' GLN . . . . . 0.493 ' OE1' ' N ' ' A' ' 588' ' ' GLN . 1.4 mp0 -67.63 -50.16 59.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.647 -179.056 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 589' ' ' THR . . . . . 0.445 HG23 ' O ' ' A' ' 585' ' ' PHE . 66.2 p -59.66 -30.16 68.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.652 -178.845 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 590' ' ' ILE . . . . . . . . . . . . . 15.0 mt -64.95 -33.5 64.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.586 -179.434 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -63.66 -30.58 71.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.566 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 57.2 p -74.13 -7.41 52.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.528 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 39.6 mt . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 118.019 -0.991 . . . . 0.0 110.542 -179.849 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 600' ' ' PVN . . . . . 0.845 H612 HD21 ' A' ' 535' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 59.3 t0 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.836 0.351 . . . . 0.0 110.558 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 65.8 ttt180 -55.67 -30.71 61.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.561 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 2.5 mm100 -70.31 -31.99 69.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.694 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -56.63 -55.18 37.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.595 -179.424 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 20.7 pt -59.75 -32.32 49.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.663 -179.04 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 444' ' ' PHE . . . . . 0.457 ' CD1' HG11 ' A' ' 474' ' ' VAL . 7.7 m-85 -78.22 -50.34 12.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.658 -179.564 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -55.77 -23.2 28.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.64 179.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 446' ' ' THR . . . . . 0.485 ' O ' ' HB3' ' A' ' 449' ' ' ALA . 74.2 m -73.17 -58.92 2.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.68 -179.47 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 447' ' ' LEU . . . . . 0.461 ' HG ' ' H ' ' A' ' 447' ' ' LEU . 16.9 mt -39.81 -57.61 1.53 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.694 -179.291 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 448' ' ' VAL . . . . . 0.417 HG13 ' N ' ' A' ' 449' ' ' ALA . 7.5 p -57.68 -38.44 64.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.648 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 449' ' ' ALA . . . . . 0.485 ' HB3' ' O ' ' A' ' 446' ' ' THR . . . -56.11 -44.69 79.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.687 178.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 450' ' ' LYS . . . . . . . . . . . . . 49.0 mttm -71.92 -40.9 68.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.603 178.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . -49.2 -50.29 28.85 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 452' ' ' ARG . . . . . . . . . . . . . 66.0 ttp85 -57.51 -42.97 83.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.784 0.326 . . . . 0.0 110.631 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 39.9 tp10 -75.74 -36.49 59.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.633 -179.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 44.2 mt -68.92 -58.97 3.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.65 -179.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 455' ' ' LEU . . . . . 0.554 HD11 ' CD1' ' A' ' 569' ' ' PHE . 96.4 mt -70.02 -25.43 63.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.54 179.485 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . 60.88 42.35 13.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.648 -176.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 457' ' ' CYS . . . . . 0.549 ' SG ' ' NH1' ' A' ' 559' ' ' ARG . 97.0 m -91.29 -159.16 0.61 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.542 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 458' ' ' ASP . . . . . 0.445 ' OD2' ' OG ' ' A' ' 556' ' ' SER . 64.3 m-20 -116.01 -27.47 6.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.638 -178.569 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 459' ' ' ARG . . . . . 0.42 ' O ' ' O ' ' A' ' 553' ' ' HIS . 6.8 ttp180 -148.54 142.4 25.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.771 179.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 460' ' ' VAL . . . . . . . . . . . . . 60.7 t -147.91 144.48 19.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.334 -179.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 461' ' ' ILE . . . . . . . . . . . . . 13.5 pt -142.39 150.27 18.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.867 0.365 . . . . 0.0 110.849 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 462' ' ' VAL . . . . . . . . . . . . . 47.8 t -110.5 133.11 57.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.35 179.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 463' ' ' TYR . . . . . 0.889 ' CE1' HD11 ' A' ' 551' ' ' ILE . 0.9 OUTLIER -146.23 143.52 29.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.753 -178.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 464' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 472' ' ' THR . . . -135.73 164.81 27.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.388 178.633 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 465' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -104.3 103.69 13.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.611 -179.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 466' ' ' ASP . . . . . 0.566 ' CG ' ' H ' ' A' ' 467' ' ' ASP . 31.5 t0 -72.25 -156.96 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.598 178.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 467' ' ' ASP . . . . . 0.566 ' H ' ' CG ' ' A' ' 466' ' ' ASP . 84.4 m-20 -85.19 18.03 2.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.529 -179.756 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 468' ' ' ASN . . . . . . . . . . . . . 10.0 m-20 -127.25 7.67 6.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.605 -178.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 469' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 61.42 18.1 9.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.562 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 470' ' ' VAL . . . . . . . . . . . . . 89.7 t -103.4 137.96 29.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.613 179.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -62.23 97.72 0.17 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 472' ' ' THR . . . . . 0.449 ' N ' ' O ' ' A' ' 464' ' ' ALA . 50.8 m -56.62 132.43 51.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.791 0.329 . . . . 0.0 110.673 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 473' ' ' VAL . . . . . 0.441 HG22 ' H ' ' A' ' 473' ' ' VAL . 5.1 m -79.54 70.7 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.565 -179.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 474' ' ' VAL . . . . . 0.457 HG11 ' CD1' ' A' ' 444' ' ' PHE . 2.4 t -59.53 -66.78 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.632 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -154.56 146.01 23.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.585 179.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 476' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -124.91 131.76 53.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.605 179.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 12.2 t -133.06 115.33 14.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.529 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 478' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 478' ' ' VAL . 8.9 m -125.07 128.94 73.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.638 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 479' ' ' ALA . . . . . . . . . . . . . . . -57.28 166.64 1.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.551 179.601 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -60.89 143.2 55.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.518 -179.249 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 100.85 -29.94 11.38 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.921 -0.871 . . . . 0.0 110.921 178.009 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 482' ' ' TRP . . . . . . . . . . . . . 10.4 m95 -100.88 142.33 24.41 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 120.877 0.37 . . . . 0.0 110.669 178.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 483' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -74.06 166.0 30.67 Favored 'Trans proline' 0 C--N 1.304 -1.807 0 C-N-CA 122.856 2.371 . . . . 0.0 112.078 -179.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -78.86 118.64 21.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.627 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -76.56 -9.94 59.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.496 -179.056 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 486' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -53.36 -23.86 10.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.581 -179.058 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 487' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -71.36 -10.25 59.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.542 -179.303 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 488' ' ' GLN . . . . . 0.74 ' NE2' HD21 ' A' ' 530' ' ' LEU . 23.4 mt-30 -108.59 115.23 29.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.526 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 489' ' ' VAL . . . . . . . . . . . . . 61.9 t -92.32 112.82 26.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.529 179.254 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 65.0 mt -46.32 105.02 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.544 -179.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -79.42 -33.66 42.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.561 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 492' ' ' ASP . . . . . . . . . . . . . 39.5 t0 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.591 -179.65 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 . . . . . 0 N--CA 1.458 -0.065 0 CA-C-O 120.815 0.34 . . . . 0.0 110.573 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 49.9 ttt85 -60.65 -17.8 49.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.544 -179.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -107.24 -0.68 22.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.582 -178.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . 81.92 37.75 15.3 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.941 -0.863 . . . . 0.0 110.941 179.161 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 507' ' ' ARG . . . . . . . . . . . . . 24.2 ttm180 -72.17 146.03 47.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.815 0.341 . . . . 0.0 110.59 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 69.3 mt -108.1 124.83 64.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.497 179.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 509' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -114.39 119.8 38.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.561 -178.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 510' ' ' ALA . . . . . 0.814 ' HB1' ' CD1' ' A' ' 561' ' ' TRP . . . -128.93 101.45 6.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.664 178.376 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 511' ' ' THR . . . . . . . . . . . . . 4.4 m -111.18 105.12 13.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.581 -179.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 512' ' ' THR . . . . . . . . . . . . . 41.4 p -52.41 -20.28 2.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.508 179.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 513' ' ' ASP . . . . . 0.423 ' O ' ' OD1' ' A' ' 513' ' ' ASP . 12.1 p30 -169.0 116.86 0.65 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.48 -178.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 514' ' ' ILE . . . . . 0.609 HG22 ' O ' ' A' ' 514' ' ' ILE . 84.6 mt -68.06 -0.38 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.552 179.045 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 515' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -74.8 -30.77 61.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.529 -179.151 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 85.0 mttt -95.2 28.42 2.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.562 179.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -133.85 139.63 46.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.479 -177.035 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . 46.53 48.86 16.6 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 176.601 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 519' ' ' LEU . . . . . 0.42 ' O ' ' OG1' ' A' ' 520' ' ' THR . 7.5 mt -59.96 159.83 8.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.814 0.34 . . . . 0.0 110.627 177.473 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 520' ' ' THR . . . . . 0.42 ' OG1' ' O ' ' A' ' 519' ' ' LEU . 5.6 p 60.58 26.66 16.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.562 179.197 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -144.91 165.9 26.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.468 179.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 522' ' ' CYS . . . . . 0.707 ' O ' ' CG ' ' A' ' 523' ' ' HIS . 0.8 OUTLIER -59.23 120.39 9.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.494 178.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 523' ' ' HIS . . . . . 0.707 ' CG ' ' O ' ' A' ' 522' ' ' CYS . 16.1 m170 -172.81 -81.22 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.665 -178.3 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 524' ' ' LEU . . . . . 0.576 ' O ' ' HB2' ' A' ' 528' ' ' ARG . 0.8 OUTLIER -50.51 -37.45 39.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.777 178.731 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 525' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 -57.15 -43.25 82.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.676 -177.004 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 526' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -96.46 -7.78 33.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.541 -178.149 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 527' ' ' LEU . . . . . 0.52 HD13 HG21 ' A' ' 514' ' ' ILE . 14.3 mt -105.09 -19.22 13.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.58 -178.331 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 528' ' ' ARG . . . . . 0.619 ' N ' ' CD ' ' A' ' 529' ' ' PRO . 0.6 OUTLIER -66.75 -46.11 55.95 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.301 -178.583 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 529' ' ' PRO . . . . . 0.619 ' CD ' ' N ' ' A' ' 528' ' ' ARG . 45.7 Cg_exo -53.99 -47.08 29.04 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.821 2.348 . . . . 0.0 112.193 -176.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 530' ' ' LEU . . . . . 0.74 HD21 ' NE2' ' A' ' 488' ' ' GLN . 87.6 mt -67.47 -7.88 29.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.673 -178.067 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 28.7 mtmt 60.84 27.44 17.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.538 178.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 532' ' ' VAL . . . . . 0.683 HG23 ' O ' ' A' ' 532' ' ' VAL . 25.7 m -75.82 108.78 8.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.633 179.209 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -94.93 -16.45 22.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.371 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 534' ' ' ALA . . . . . 0.65 ' HB2' ' HA ' ' A' ' 558' ' ' PRO . . . -130.93 139.18 50.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.106 -179.668 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -128.13 119.55 25.53 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.675 -0.41 . . . . 0.0 111.17 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 536' ' ' LEU . . . . . . . . . . . . . 58.8 tp -133.11 128.31 35.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.89 177.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 537' ' ' VAL . . . . . 0.427 HG22 HG23 ' A' ' 551' ' ' ILE . 58.6 t -130.05 147.67 33.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.059 0.457 . . . . 0.0 111.111 -177.775 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 538' ' ' VAL . . . . . . . . . . . . . 28.8 m -140.25 132.21 14.47 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.064 178.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 539' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -71.97 134.66 23.9 Favored 'Trans proline' 0 C--N 1.304 -1.801 0 C-N-CA 122.756 2.304 . . . . 0.0 112.5 -175.215 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 540' ' ' MET . . . . . 0.53 ' SD ' ' O ' ' A' ' 573' ' ' ALA . 7.8 ttt -130.15 117.08 19.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.105 176.664 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 541' ' ' VAL . . . . . . . . . . . . . 23.3 m . . . . . 0 C--N 1.329 -0.315 0 CA-C-O 120.962 0.41 . . . . 0.0 111.142 -175.973 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 546' ' ' LEU . . . . . 0.402 HD12 ' HA ' ' A' ' 546' ' ' LEU . 25.3 tp . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.774 0.321 . . . . 0.0 110.579 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 547' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -113.9 -53.49 2.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.56 -179.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 548' ' ' GLY . . . . . 0.448 ' C ' HD12 ' A' ' 549' ' ' LEU . . . -173.52 -178.03 43.18 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.152 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 549' ' ' LEU . . . . . 0.466 ' C ' HD12 ' A' ' 550' ' ' LEU . 4.9 mp -142.69 142.57 32.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.892 0.377 . . . . 0.0 110.548 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 550' ' ' LEU . . . . . 0.605 ' N ' HD12 ' A' ' 550' ' ' LEU . 7.7 mp -95.33 126.35 40.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.283 179.542 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 551' ' ' ILE . . . . . 0.889 HD11 ' CE1' ' A' ' 463' ' ' TYR . 4.5 mt -118.66 140.89 40.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.869 -179.144 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -124.53 114.08 18.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.229 178.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 553' ' ' HIS . . . . . 0.535 ' CE1' ' CG2' ' A' ' 551' ' ' ILE . 54.5 m80 -109.71 129.18 55.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.804 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 554' ' ' GLN . . . . . 0.59 ' H ' ' HB3' ' A' ' 534' ' ' ALA . 39.3 tt0 -91.88 117.11 29.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.668 174.54 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -91.25 -3.78 56.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.483 -175.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 556' ' ' SER . . . . . 0.445 ' OG ' ' OD2' ' A' ' 458' ' ' ASP . 1.5 m -97.86 -30.96 12.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.568 -178.39 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 557' ' ' GLU . . . . . 0.446 ' O ' ' CD ' ' A' ' 554' ' ' GLN . 4.7 pt-20 174.63 150.25 0.26 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.366 -178.564 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 558' ' ' PRO . . . . . 0.65 ' HA ' ' HB2' ' A' ' 534' ' ' ALA . 57.2 Cg_endo -72.5 125.84 11.02 Favored 'Trans proline' 0 C--N 1.305 -1.749 0 C-N-CA 122.785 2.323 . . . . 0.0 112.278 178.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 559' ' ' ARG . . . . . 0.549 ' NH1' ' SG ' ' A' ' 457' ' ' CYS . 16.8 ptm180 -116.22 140.77 48.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.325 -177.159 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 560' ' ' GLN . . . . . . . . . . . . . 43.2 tp60 -78.57 117.08 19.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.605 176.245 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 561' ' ' TRP . . . . . 0.814 ' CD1' ' HB1' ' A' ' 510' ' ' ALA . 1.0 OUTLIER -59.74 147.75 36.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.341 -177.068 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -94.07 139.27 31.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.801 177.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 563' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -47.8 -42.89 27.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.536 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 564' ' ' ILE . . . . . . . . . . . . . 5.8 mm -74.55 -35.56 38.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.529 179.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 88.2 mt-10 -66.03 -35.87 81.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.579 -178.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 566' ' ' ILE . . . . . . . . . . . . . 96.6 mt -67.67 -48.31 76.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.597 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 58.2 t0 -61.16 -46.23 91.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.588 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 568' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -62.18 -44.12 97.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.526 -179.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 569' ' ' PHE . . . . . 0.554 ' CD1' HD11 ' A' ' 455' ' ' LEU . 38.9 t80 -65.65 -42.32 91.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.502 -179.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 91.3 p -60.45 -32.89 71.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.556 177.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 62.4 mm-40 -66.02 -40.25 90.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.498 177.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 14.7 tp -57.87 -43.77 86.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.485 178.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 573' ' ' ALA . . . . . 0.53 ' O ' ' SD ' ' A' ' 540' ' ' MET . . . -66.7 -45.21 79.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.446 179.481 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 574' ' ' SER . . . . . . . . . . . . . 28.5 m -58.54 -32.1 68.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.538 179.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 24.0 m -61.74 -46.19 90.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.591 -179.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -48.09 -38.13 17.66 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 179.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 19.4 m -58.51 -38.62 78.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.794 0.33 . . . . 0.0 110.516 178.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 57.5 mt -55.66 -50.64 69.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.594 178.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 86.4 t -68.89 -52.67 32.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.545 -178.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 580' ' ' LEU . . . . . 0.493 ' O ' ' N ' ' A' ' 584' ' ' HIS . 95.6 mt -54.13 -43.5 70.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.491 -179.169 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -55.52 -40.53 71.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.706 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 582' ' ' ARG . . . . . . . . . . . . . 68.4 mtm180 -74.3 -50.98 16.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.665 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 583' ' ' LEU . . . . . 0.47 ' N ' HD12 ' A' ' 583' ' ' LEU . 10.8 mp -68.37 -52.68 30.43 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.652 -179.37 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 584' ' ' HIS . . . . . 0.561 ' O ' ' NE2' ' A' ' 588' ' ' GLN . 83.4 t60 -46.87 -38.65 10.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.654 -179.08 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 585' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -81.96 -52.82 6.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.574 -179.245 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 39.7 mt -61.34 -44.71 96.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.712 -178.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 587' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -59.07 -46.86 87.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.618 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 588' ' ' GLN . . . . . 0.66 ' NE2' ' N ' ' A' ' 588' ' ' GLN . 0.3 OUTLIER -68.29 -46.9 69.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.733 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 589' ' ' THR . . . . . . . . . . . . . 53.1 m -58.44 -34.58 70.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.645 -178.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 590' ' ' ILE . . . . . . . . . . . . . 12.4 mt . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.537 -179.185 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 439' ' ' ASP . . . . . 0.491 ' CG ' ' H ' ' A' ' 440' ' ' ARG . 42.3 t0 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.726 0.298 . . . . 0.0 110.654 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 440' ' ' ARG . . . . . 0.491 ' H ' ' CG ' ' A' ' 439' ' ' ASP . 46.3 ttp180 -54.86 -32.65 60.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.562 -179.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 2.2 mm100 -69.83 -34.5 73.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.692 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -56.77 -55.22 37.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.656 -179.389 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 23.7 pt -59.21 -30.73 44.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.628 -178.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 444' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -79.58 -50.4 10.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.698 -179.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -55.94 -24.23 36.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.683 179.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 446' ' ' THR . . . . . 0.482 ' O ' ' HB3' ' A' ' 449' ' ' ALA . 91.1 m -72.86 -59.26 2.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.658 -179.224 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 447' ' ' LEU . . . . . 0.461 ' HG ' ' H ' ' A' ' 447' ' ' LEU . 16.4 mt -38.65 -56.59 1.3 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.568 -179.61 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 448' ' ' VAL . . . . . . . . . . . . . 4.4 p -58.09 -37.56 62.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.666 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 449' ' ' ALA . . . . . 0.482 ' HB3' ' O ' ' A' ' 446' ' ' THR . . . -57.28 -46.18 83.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.608 179.357 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 450' ' ' LYS . . . . . . . . . . . . . 50.1 mttm -70.96 -42.62 69.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.644 179.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . -48.34 -48.61 27.01 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 452' ' ' ARG . . . . . . . . . . . . . 70.4 ttp85 -57.75 -43.71 85.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.79 0.329 . . . . 0.0 110.607 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -74.63 -38.05 62.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.63 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 37.8 mt -67.59 -58.04 5.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.643 -179.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 455' ' ' LEU . . . . . 0.588 HD11 ' CD1' ' A' ' 569' ' ' PHE . 94.5 mt -70.19 -25.44 63.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.555 179.266 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . 61.06 42.72 12.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.637 -177.092 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 457' ' ' CYS . . . . . 0.59 ' SG ' ' NH1' ' A' ' 559' ' ' ARG . 98.7 m -91.47 -158.91 0.6 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.463 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -118.04 -27.15 6.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.631 -178.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 459' ' ' ARG . . . . . 0.627 HH11 HG12 ' A' ' 478' ' ' VAL . 12.7 ttp85 -147.99 142.24 26.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.768 179.778 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 460' ' ' VAL . . . . . . . . . . . . . 86.6 t -149.0 145.54 17.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.335 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 461' ' ' ILE . . . . . . . . . . . . . 13.1 pt -143.31 150.87 17.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.919 0.39 . . . . 0.0 110.792 -179.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 462' ' ' VAL . . . . . . . . . . . . . 55.9 t -109.93 131.07 61.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.366 177.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 463' ' ' TYR . . . . . 0.656 ' CD1' HD11 ' A' ' 551' ' ' ILE . 0.0 OUTLIER -144.5 144.61 31.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.638 -177.435 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 464' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 472' ' ' THR . . . -139.54 167.17 22.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.325 177.412 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 465' ' ' PHE . . . . . 0.524 ' CD2' ' O ' ' A' ' 465' ' ' PHE . 19.2 p90 -102.62 105.69 16.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.577 -179.292 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 466' ' ' ASP . . . . . 0.545 ' CG ' ' H ' ' A' ' 467' ' ' ASP . 31.3 t0 -71.58 -159.81 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.544 178.76 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 467' ' ' ASP . . . . . 0.545 ' H ' ' CG ' ' A' ' 466' ' ' ASP . 87.4 m-20 -89.19 15.33 9.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.579 -179.77 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 468' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -125.96 13.07 7.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.643 -179.178 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 469' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 59.6 17.31 6.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.546 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 470' ' ' VAL . . . . . . . . . . . . . 75.2 t -102.02 135.66 37.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.584 179.48 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -57.17 99.7 0.1 Allowed Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 472' ' ' THR . . . . . 0.443 ' N ' ' O ' ' A' ' 464' ' ' ALA . 20.3 m -55.4 132.18 47.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.827 0.346 . . . . 0.0 110.582 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 473' ' ' VAL . . . . . . . . . . . . . 42.5 t -86.8 77.93 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.544 -179.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 474' ' ' VAL . . . . . 0.45 HG23 ' H ' ' A' ' 474' ' ' VAL . 1.6 t -68.87 -68.33 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.671 179.698 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -153.33 144.55 23.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.536 179.12 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 476' ' ' GLU . . . . . 0.455 ' OE2' ' HB3' ' A' ' 485' ' ' ALA . 2.3 tp10 -125.08 131.68 53.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.595 179.186 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 10.0 t -132.73 115.51 15.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.512 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 478' ' ' VAL . . . . . 0.627 HG12 HH11 ' A' ' 459' ' ' ARG . 4.3 m -124.79 128.43 73.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.573 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 479' ' ' ALA . . . . . . . . . . . . . . . -57.07 166.98 0.92 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.513 179.364 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -60.73 142.89 55.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.573 -179.375 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 100.86 -29.7 11.9 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 177.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 482' ' ' TRP . . . . . . . . . . . . . 11.7 m95 -100.39 144.61 28.79 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 120.944 0.402 . . . . 0.0 110.664 178.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 483' ' ' PRO . . . . . 0.41 ' CD ' ' NZ ' ' A' ' 531' ' ' LYS . 63.9 Cg_endo -74.4 166.59 29.1 Favored 'Trans proline' 0 C--N 1.304 -1.767 0 C-N-CA 122.779 2.319 . . . . 0.0 112.039 -179.524 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -78.89 118.72 21.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.568 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 485' ' ' ALA . . . . . 0.455 ' HB3' ' OE2' ' A' ' 476' ' ' GLU . . . -75.64 -10.77 59.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.533 -179.303 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 486' ' ' ARG . . . . . . . . . . . . . 57.4 ttt180 -53.02 -33.02 49.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.561 -179.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 487' ' ' ASP . . . . . . . . . . . . . 55.6 t0 -68.3 -14.16 62.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.507 -179.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 488' ' ' GLN . . . . . 0.406 ' OE1' HD21 ' A' ' 530' ' ' LEU . 75.9 mt-30 -106.32 116.47 31.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.497 179.753 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 489' ' ' VAL . . . . . . . . . . . . . 91.1 t -99.54 117.58 44.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.443 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 11.3 mm -48.67 110.22 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.602 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -78.91 -27.91 43.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.554 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 492' ' ' ASP . . . . . . . . . . . . . 17.7 t0 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.523 -179.864 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 503' ' ' TYR . . . . . 0.525 ' CD1' ' CD2' ' A' ' 549' ' ' LEU . 86.0 m-85 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.851 0.358 . . . . 0.0 110.562 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 68.6 ttt180 -62.13 -15.91 48.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.639 -179.157 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 15.3 pt20 -107.14 -1.43 21.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.673 -178.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . 84.67 37.47 10.49 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.27 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 507' ' ' ARG . . . . . . . . . . . . . 72.4 ttt180 -73.95 145.47 44.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.809 0.338 . . . . 0.0 110.513 179.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 66.1 mt -106.84 123.65 62.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.575 179.399 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 509' ' ' GLN . . . . . . . . . . . . . 61.4 tp60 -113.28 118.5 34.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.546 -179.119 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 510' ' ' ALA . . . . . 0.847 ' HB1' ' CD1' ' A' ' 561' ' ' TRP . . . -128.17 101.11 6.12 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.62 178.288 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 511' ' ' THR . . . . . . . . . . . . . 4.7 m -110.46 103.2 11.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.542 -179.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 512' ' ' THR . . . . . . . . . . . . . 6.8 m -51.0 -19.64 1.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.533 179.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 513' ' ' ASP . . . . . 0.541 ' OD1' ' NZ ' ' A' ' 516' ' ' LYS . 8.3 p30 -169.29 118.2 0.66 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.51 -179.419 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 514' ' ' ILE . . . . . 0.606 HG22 ' O ' ' A' ' 514' ' ' ILE . 79.7 mt -70.54 -0.11 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.566 178.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 515' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -74.98 -31.16 61.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.552 -178.395 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 516' ' ' LYS . . . . . 0.541 ' NZ ' ' OD1' ' A' ' 513' ' ' ASP . 10.8 pttm -97.23 29.08 3.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.559 179.326 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -131.67 142.36 49.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.532 -177.205 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . 43.41 47.46 6.99 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 176.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 519' ' ' LEU . . . . . . . . . . . . . 10.3 mt -54.76 167.12 0.4 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.722 0.296 . . . . 0.0 110.615 177.227 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 520' ' ' THR . . . . . . . . . . . . . 2.1 m 52.76 30.99 9.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.563 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 521' ' ' GLU . . . . . 0.406 ' HG2' ' N ' ' A' ' 522' ' ' CYS . 63.2 tt0 -146.2 163.0 36.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.489 179.459 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 522' ' ' CYS . . . . . 0.677 ' O ' ' CG ' ' A' ' 523' ' ' HIS . 0.9 OUTLIER -60.3 123.53 17.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.541 178.716 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 523' ' ' HIS . . . . . 0.677 ' CG ' ' O ' ' A' ' 522' ' ' CYS . 13.3 m170 -172.21 -80.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.68 -178.591 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 524' ' ' LEU . . . . . 0.638 ' O ' ' HB2' ' A' ' 528' ' ' ARG . 0.7 OUTLIER -48.9 -34.34 12.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.75 178.412 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 525' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -56.7 -40.99 76.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.702 -178.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 526' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -101.97 -7.94 21.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.539 -179.151 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 527' ' ' LEU . . . . . 0.644 ' O ' HG22 ' A' ' 532' ' ' VAL . 15.0 mt -106.62 -28.33 10.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.53 -177.32 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 528' ' ' ARG . . . . . 0.694 ' N ' ' CD ' ' A' ' 529' ' ' PRO . 0.0 OUTLIER -66.93 -41.12 34.43 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.316 -177.791 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 529' ' ' PRO . . . . . 0.694 ' CD ' ' N ' ' A' ' 528' ' ' ARG . 31.2 Cg_exo -58.0 -44.96 35.25 Favored 'Trans proline' 0 C--N 1.306 -1.71 0 C-N-CA 123.0 2.466 . . . . 0.0 112.161 -178.792 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 530' ' ' LEU . . . . . 0.526 ' HB2' HG13 ' A' ' 532' ' ' VAL . 80.1 mt -68.18 -4.97 15.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.615 -179.754 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 531' ' ' LYS . . . . . 0.41 ' NZ ' ' CD ' ' A' ' 483' ' ' PRO . 26.6 mtmt 60.83 26.84 16.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.508 178.397 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 532' ' ' VAL . . . . . 0.697 HG23 ' O ' ' A' ' 532' ' ' VAL . 27.0 m -75.53 107.74 6.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.615 178.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 80.9 mtp180 -94.12 -14.9 25.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.365 -179.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 534' ' ' ALA . . . . . 0.67 ' HB2' ' HA ' ' A' ' 558' ' ' PRO . . . -133.81 141.51 47.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.152 -179.689 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -128.95 120.32 25.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.922 0.391 . . . . 0.0 111.163 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 536' ' ' LEU . . . . . 0.402 ' HB2' ' CZ3' ' A' ' 561' ' ' TRP . 63.2 tp -131.75 127.92 37.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.949 -0.568 . . . . 0.0 109.939 177.683 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 68.8 t -130.86 147.55 33.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.954 0.407 . . . . 0.0 111.213 -178.161 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 538' ' ' VAL . . . . . . . . . . . . . 31.0 m -140.07 133.71 15.35 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.069 178.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 539' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -72.34 135.38 24.49 Favored 'Trans proline' 0 C--N 1.304 -1.781 0 C-N-CA 122.752 2.301 . . . . 0.0 112.455 -175.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 540' ' ' MET . . . . . 0.516 ' SD ' ' O ' ' A' ' 573' ' ' ALA . 4.6 ttp -127.9 119.77 26.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.109 177.014 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 541' ' ' VAL . . . . . . . . . . . . . 18.6 m . . . . . 0 C--N 1.329 -0.325 0 CA-C-O 121.029 0.442 . . . . 0.0 111.076 -176.68 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 546' ' ' LEU . . . . . 0.423 HD23 ' CZ ' ' A' ' 465' ' ' PHE . 15.6 tp . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.817 0.341 . . . . 0.0 110.574 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 547' ' ' PHE . . . . . . . . . . . . . 60.5 t80 -112.4 -45.83 3.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.504 -178.441 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -172.62 -179.65 43.54 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.838 -0.905 . . . . 0.0 110.838 -178.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 549' ' ' LEU . . . . . 0.525 ' CD2' ' CD1' ' A' ' 503' ' ' TYR . 2.6 mp -138.43 143.01 39.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.868 0.366 . . . . 0.0 110.543 -179.287 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -92.47 121.26 33.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.346 178.38 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 551' ' ' ILE . . . . . 0.656 HD11 ' CD1' ' A' ' 463' ' ' TYR . 3.7 mt -112.72 135.15 53.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.911 -178.542 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -124.75 115.12 20.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.216 178.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 553' ' ' HIS . . . . . 0.539 ' CE1' ' CG2' ' A' ' 551' ' ' ILE . 42.3 m80 -110.52 129.21 55.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.791 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 554' ' ' GLN . . . . . 0.524 ' H ' ' HB3' ' A' ' 534' ' ' ALA . 43.5 tt0 -90.24 113.61 25.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.683 174.327 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -87.74 -5.2 58.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.44 -175.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 556' ' ' SER . . . . . . . . . . . . . 9.1 t -95.56 -31.61 13.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.522 -177.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 557' ' ' GLU . . . . . 0.452 ' O ' ' CD ' ' A' ' 554' ' ' GLN . 4.1 pt-20 174.3 151.17 0.26 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.33 -178.655 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 558' ' ' PRO . . . . . 0.67 ' HA ' ' HB2' ' A' ' 534' ' ' ALA . 55.9 Cg_endo -72.37 125.53 10.82 Favored 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 122.762 2.308 . . . . 0.0 112.212 178.749 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 559' ' ' ARG . . . . . 0.59 ' NH1' ' SG ' ' A' ' 457' ' ' CYS . 16.8 ptm180 -116.84 140.28 49.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.348 -177.287 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 560' ' ' GLN . . . . . . . . . . . . . 38.9 tp60 -77.51 116.45 18.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.626 176.066 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 561' ' ' TRP . . . . . 0.847 ' CD1' ' HB1' ' A' ' 510' ' ' ALA . 1.1 m95 -57.83 148.27 25.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.379 -176.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -95.61 139.06 32.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.843 178.119 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 563' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -46.94 -43.63 19.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.526 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 564' ' ' ILE . . . . . 0.478 HG22 ' NE2' ' A' ' 568' ' ' GLN . 1.1 mt -74.73 -35.04 35.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.56 -179.801 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -66.45 -36.1 81.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.564 -179.079 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 566' ' ' ILE . . . . . 0.403 HD11 ' HB2' ' A' ' 561' ' ' TRP . 96.8 mt -68.14 -49.24 69.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.56 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -62.29 -47.43 84.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.635 -179.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 568' ' ' GLN . . . . . 0.478 ' NE2' HG22 ' A' ' 564' ' ' ILE . 89.1 mt-30 -63.05 -44.32 96.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.541 -179.219 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 569' ' ' PHE . . . . . 0.588 ' CD1' HD11 ' A' ' 455' ' ' LEU . 54.4 t80 -63.13 -42.0 99.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.518 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 22.5 t -60.45 -39.37 87.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.44 178.236 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -58.1 -40.5 81.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.455 178.066 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 14.9 tp -58.16 -45.13 87.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.467 178.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 573' ' ' ALA . . . . . 0.516 ' O ' ' SD ' ' A' ' 540' ' ' MET . . . -65.07 -45.6 84.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.482 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 574' ' ' SER . . . . . . . . . . . . . 21.2 m -60.41 -32.21 71.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.548 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 30.1 m -57.47 -51.73 68.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.527 -178.617 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -51.34 -37.67 39.86 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.555 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 15.6 p -59.95 -33.87 72.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.79 0.328 . . . . 0.0 110.576 179.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 45.3 mt -59.12 -52.45 65.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.593 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 89.5 t -69.84 -45.39 77.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.525 -179.245 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 580' ' ' LEU . . . . . 0.49 ' O ' ' N ' ' A' ' 584' ' ' HIS . 34.7 mt -58.05 -38.0 75.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.503 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -53.44 -52.01 60.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.704 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 582' ' ' ARG . . . . . 0.417 ' O ' ' CB ' ' A' ' 586' ' ' LEU . 78.4 mtp180 -78.72 -40.69 32.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.705 -179.432 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 19.2 tp -67.72 -55.75 11.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.606 -179.173 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 584' ' ' HIS . . . . . 0.49 ' N ' ' O ' ' A' ' 580' ' ' LEU . 79.7 t60 -49.25 -43.71 43.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.581 -179.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 585' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -78.99 -49.68 12.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.648 -179.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 586' ' ' LEU . . . . . 0.417 ' CB ' ' O ' ' A' ' 582' ' ' ARG . 31.9 tp -51.54 -50.17 60.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.648 -179.667 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 587' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -59.2 -39.36 82.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.665 179.182 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 588' ' ' GLN . . . . . 0.537 HE21 ' CA ' ' A' ' 588' ' ' GLN . 0.0 OUTLIER -66.82 -50.57 62.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.65 -179.904 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 589' ' ' THR . . . . . . . . . . . . . 68.9 p -58.14 -30.98 66.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.609 -179.102 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 590' ' ' ILE . . . . . . . . . . . . . 3.1 mm . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.609 -179.666 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 59.8 t0 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.859 0.361 . . . . 0.0 110.576 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 69.9 ttt180 -55.62 -30.57 61.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.569 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 2.2 mm100 -70.0 -35.23 74.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.66 -179.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -56.26 -55.68 30.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.606 -179.106 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 24.3 pt -57.69 -29.66 35.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.776 -179.027 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 444' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -80.57 -48.41 12.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.716 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -56.61 -25.57 53.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.767 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 446' ' ' THR . . . . . 0.481 ' O ' ' HB3' ' A' ' 449' ' ' ALA . 58.0 m -71.61 -59.84 2.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.628 -179.242 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 16.0 mt -38.97 -56.78 1.35 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.626 -179.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 448' ' ' VAL . . . . . . . . . . . . . 5.8 p -59.12 -37.49 68.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.7 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 449' ' ' ALA . . . . . 0.481 ' HB3' ' O ' ' A' ' 446' ' ' THR . . . -56.15 -45.43 79.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.669 179.399 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 450' ' ' LYS . . . . . . . . . . . . . 53.1 mttm -70.95 -41.42 71.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.582 178.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . -49.2 -49.47 30.81 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 452' ' ' ARG . . . . . . . . . . . . . 59.6 ttp180 -57.39 -43.24 83.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.734 0.302 . . . . 0.0 110.561 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -76.25 -37.26 57.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.64 -179.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 41.7 mt -68.02 -58.35 4.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.578 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 455' ' ' LEU . . . . . 0.561 HD11 ' CD1' ' A' ' 569' ' ' PHE . 88.7 mt -70.32 -25.39 63.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.495 179.373 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . 60.66 42.47 13.75 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.656 -176.501 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 457' ' ' CYS . . . . . 0.546 ' SG ' ' CG2' ' A' ' 460' ' ' VAL . 1.8 p -90.48 -160.45 0.7 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.461 -179.751 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 458' ' ' ASP . . . . . 0.62 ' CG ' HE21 ' A' ' 554' ' ' GLN . 73.6 m-20 -115.62 -28.32 6.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.545 -178.17 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 459' ' ' ARG . . . . . . . . . . . . . 7.5 ttp180 -148.14 142.91 26.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.777 179.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 460' ' ' VAL . . . . . 0.546 ' CG2' ' SG ' ' A' ' 457' ' ' CYS . 55.9 t -148.38 144.86 18.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.324 -179.759 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 461' ' ' ILE . . . . . . . . . . . . . 13.9 pt -142.8 151.66 17.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.891 0.377 . . . . 0.0 110.866 -179.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 462' ' ' VAL . . . . . . . . . . . . . 38.3 t -109.58 130.19 63.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.368 178.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 463' ' ' TYR . . . . . 0.434 ' OH ' ' CZ ' ' A' ' 465' ' ' PHE . 0.1 OUTLIER -148.64 145.33 27.7 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.684 -178.865 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 464' ' ' ALA . . . . . 0.406 ' O ' HG22 ' A' ' 472' ' ' THR . . . -139.1 169.66 17.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.344 179.011 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 465' ' ' PHE . . . . . 0.434 ' CZ ' ' OH ' ' A' ' 463' ' ' TYR . 62.6 m-85 -100.14 103.25 14.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.579 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 466' ' ' ASP . . . . . 0.545 ' CG ' ' H ' ' A' ' 467' ' ' ASP . 31.1 t0 -70.84 -160.51 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.551 178.629 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 467' ' ' ASP . . . . . 0.545 ' H ' ' CG ' ' A' ' 466' ' ' ASP . 89.9 m-20 -89.47 14.56 11.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.586 -179.733 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 468' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -125.79 12.95 7.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.608 -179.093 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 469' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 60.26 17.61 7.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.619 -179.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 470' ' ' VAL . . . . . . . . . . . . . 76.4 t -104.36 137.47 33.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.631 179.249 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -67.93 91.03 0.22 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.866 -0.894 . . . . 0.0 110.866 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 472' ' ' THR . . . . . 0.406 HG22 ' O ' ' A' ' 464' ' ' ALA . 0.2 OUTLIER -54.25 134.78 44.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.782 0.325 . . . . 0.0 110.628 179.758 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 473' ' ' VAL . . . . . 0.449 ' H ' HG22 ' A' ' 473' ' ' VAL . 3.3 m -83.08 76.61 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.529 -178.656 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 2.8 t -59.7 -67.1 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.564 178.34 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -151.17 141.92 22.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.581 179.079 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 476' ' ' GLU . . . . . 0.61 ' OE2' ' HB3' ' A' ' 485' ' ' ALA . 2.3 tp10 -123.76 129.97 51.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.554 179.504 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 477' ' ' SER . . . . . 0.45 ' O ' ' O ' ' A' ' 460' ' ' VAL . 9.1 t -132.08 114.68 14.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.488 -179.793 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 478' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 478' ' ' VAL . 8.9 m -125.72 129.05 72.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.589 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 479' ' ' ALA . . . . . . . . . . . . . . . -56.41 166.41 0.88 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.57 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -60.67 143.32 54.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.598 -179.063 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 100.72 -29.86 11.52 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.809 -0.916 . . . . 0.0 110.809 177.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 482' ' ' TRP . . . . . . . . . . . . . 19.1 m95 -99.57 142.79 25.25 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 120.973 0.416 . . . . 0.0 110.613 179.225 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 483' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -72.54 166.67 29.17 Favored 'Trans proline' 0 C--N 1.304 -1.766 0 C-N-CA 122.884 2.389 . . . . 0.0 112.085 -179.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -80.12 120.46 24.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.558 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 485' ' ' ALA . . . . . 0.61 ' HB3' ' OE2' ' A' ' 476' ' ' GLU . . . -76.21 -11.46 59.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.521 -179.741 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 486' ' ' ARG . . . . . . . . . . . . . 49.5 ttt85 -54.94 -33.3 62.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.571 -179.37 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 487' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -67.98 -13.15 61.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.485 -179.333 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 488' ' ' GLN . . . . . 0.616 ' OE1' HD21 ' A' ' 530' ' ' LEU . 77.5 mt-30 -106.01 116.0 31.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.554 179.752 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 489' ' ' VAL . . . . . . . . . . . . . 93.7 t -101.95 121.09 52.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.537 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 9.6 mm -47.54 108.75 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.606 -179.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -79.28 -23.49 43.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.587 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 492' ' ' ASP . . . . . . . . . . . . . 15.5 t0 . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.57 -179.588 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 503' ' ' TYR . . . . . 0.425 ' CG ' ' CD2' ' A' ' 549' ' ' LEU . 56.1 m-85 . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.816 0.341 . . . . 0.0 110.485 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 54.2 ttp180 -62.55 -13.94 36.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.568 -179.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -99.16 1.41 44.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.667 -179.496 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . 83.21 35.18 18.62 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 507' ' ' ARG . . . . . . . . . . . . . 23.6 ttm180 -78.3 134.94 37.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.749 0.309 . . . . 0.0 110.598 179.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 7.4 pt -105.53 123.68 60.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.496 179.089 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 509' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -117.59 119.97 36.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.575 -178.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 510' ' ' ALA . . . . . 0.765 ' HB1' ' CD1' ' A' ' 561' ' ' TRP . . . -127.24 100.08 5.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.579 178.053 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 511' ' ' THR . . . . . . . . . . . . . 3.9 m -110.7 103.5 12.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.531 -179.309 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 512' ' ' THR . . . . . . . . . . . . . 6.2 m -51.31 -19.59 1.34 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.52 179.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 513' ' ' ASP . . . . . 0.489 ' OD1' ' NZ ' ' A' ' 516' ' ' LYS . 18.2 p30 -169.86 117.24 0.57 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.544 -179.114 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 514' ' ' ILE . . . . . 0.662 HG22 ' O ' ' A' ' 514' ' ' ILE . 96.6 mt -69.72 0.66 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.582 179.055 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 515' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -74.49 -31.7 62.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.516 -178.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 516' ' ' LYS . . . . . 0.489 ' NZ ' ' OD1' ' A' ' 513' ' ' ASP . 9.4 pttm -97.87 29.33 3.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.509 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -130.8 141.66 50.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.489 -177.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 518' ' ' GLY . . . . . 0.412 ' O ' ' O ' ' A' ' 519' ' ' LEU . . . 42.55 44.28 5.22 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.901 -0.879 . . . . 0.0 110.901 177.352 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 519' ' ' LEU . . . . . 0.468 HD23 ' N ' ' A' ' 519' ' ' LEU . 2.2 mt -44.47 171.4 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.7 0.286 . . . . 0.0 110.701 178.417 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 520' ' ' THR . . . . . . . . . . . . . 30.0 p 46.52 37.34 4.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.524 178.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 46.5 tt0 -146.5 162.29 38.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.428 179.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 522' ' ' CYS . . . . . 0.707 ' O ' ' CG ' ' A' ' 523' ' ' HIS . 0.8 OUTLIER -61.14 125.43 23.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.497 178.159 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 523' ' ' HIS . . . . . 0.707 ' CG ' ' O ' ' A' ' 522' ' ' CYS . 12.8 m170 -173.72 -80.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.623 -178.58 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 524' ' ' LEU . . . . . 0.526 ' O ' ' N ' ' A' ' 528' ' ' ARG . 0.5 OUTLIER -50.47 -35.89 31.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.721 178.526 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 525' ' ' ASN . . . . . . . . . . . . . 53.9 t-20 -57.78 -42.96 85.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.685 -177.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 526' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -98.85 -8.7 25.35 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.607 -178.19 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 75.6 mt -106.93 -21.85 12.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.601 -177.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 528' ' ' ARG . . . . . 0.702 ' N ' ' CD ' ' A' ' 529' ' ' PRO . 0.7 OUTLIER -70.31 -40.68 12.26 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.203 -178.166 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 529' ' ' PRO . . . . . 0.702 ' CD ' ' N ' ' A' ' 528' ' ' ARG . 33.3 Cg_exo -57.72 -45.82 30.79 Favored 'Trans proline' 0 C--N 1.305 -1.735 0 C-N-CA 122.961 2.44 . . . . 0.0 112.196 -178.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 530' ' ' LEU . . . . . 0.616 HD21 ' OE1' ' A' ' 488' ' ' GLN . 85.7 mt -75.07 3.63 8.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.64 179.563 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 3.4 mtmm 59.8 26.05 15.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.584 179.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 532' ' ' VAL . . . . . . . . . . . . . 56.0 t -73.99 104.97 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.588 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -106.45 -15.87 14.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.377 179.035 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 534' ' ' ALA . . . . . 0.685 ' HB2' ' HA ' ' A' ' 558' ' ' PRO . . . -124.63 135.22 52.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.095 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 29.7 t30 -127.21 117.4 22.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.903 0.382 . . . . 0.0 111.206 -179.317 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 536' ' ' LEU . . . . . . . . . . . . . 64.3 tp -130.17 126.54 37.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.966 176.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 537' ' ' VAL . . . . . 0.774 HG22 HD12 ' A' ' 551' ' ' ILE . 52.8 t -129.2 146.21 34.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.053 0.454 . . . . 0.0 111.189 -177.165 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 538' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 538' ' ' VAL . 34.5 m -140.62 129.91 13.11 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.03 178.104 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 539' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -72.47 133.26 20.41 Favored 'Trans proline' 0 C--N 1.304 -1.787 0 C-N-CA 122.74 2.293 . . . . 0.0 112.524 -174.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 540' ' ' MET . . . . . 0.546 ' SD ' ' O ' ' A' ' 573' ' ' ALA . 6.4 ttt -127.62 118.15 23.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.061 176.286 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 541' ' ' VAL . . . . . . . . . . . . . 17.1 m . . . . . 0 C--N 1.328 -0.343 0 CA-C-O 120.985 0.422 . . . . 0.0 111.143 -175.533 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 546' ' ' LEU . . . . . . . . . . . . . 27.4 tp . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.81 0.338 . . . . 0.0 110.562 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 547' ' ' PHE . . . . . 0.409 ' CD2' HD13 ' A' ' 580' ' ' LEU . 13.2 t80 -114.53 -47.48 2.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.507 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 548' ' ' GLY . . . . . 0.402 ' C ' HD12 ' A' ' 549' ' ' LEU . . . -167.0 179.82 40.51 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 -179.783 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 549' ' ' LEU . . . . . 0.464 ' N ' HD12 ' A' ' 549' ' ' LEU . 4.2 mp -142.64 139.55 31.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.796 0.332 . . . . 0.0 110.569 -179.748 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 550' ' ' LEU . . . . . 0.627 ' N ' HD12 ' A' ' 550' ' ' LEU . 9.0 mp -95.25 118.38 31.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.332 179.43 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 551' ' ' ILE . . . . . 0.774 HD12 HG22 ' A' ' 537' ' ' VAL . 3.3 mm -115.4 138.54 45.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.004 -178.65 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -124.72 114.11 18.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.116 178.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 553' ' ' HIS . . . . . 0.503 ' CE1' ' CG2' ' A' ' 551' ' ' ILE . 55.5 m80 -110.01 130.88 55.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.87 -179.729 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 554' ' ' GLN . . . . . 0.659 ' H ' ' HB3' ' A' ' 534' ' ' ALA . 13.9 tp60 -88.95 115.78 26.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.676 174.239 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -91.24 -7.4 51.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.456 -176.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 556' ' ' SER . . . . . 0.466 ' HG ' ' CG ' ' A' ' 458' ' ' ASP . 3.1 m -95.16 -30.03 14.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.54 -177.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 173.35 148.42 0.22 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.413 -178.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 558' ' ' PRO . . . . . 0.685 ' HA ' ' HB2' ' A' ' 534' ' ' ALA . 41.5 Cg_endo -68.37 126.27 14.02 Favored 'Trans proline' 0 C--N 1.305 -1.747 0 C-N-CA 122.834 2.356 . . . . 0.0 112.208 178.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -119.7 141.69 49.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.347 -176.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 560' ' ' GLN . . . . . 0.435 ' O ' ' OE1' ' A' ' 562' ' ' GLN . 56.2 tp60 -79.38 118.89 21.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.665 176.303 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 561' ' ' TRP . . . . . 0.765 ' CD1' ' HB1' ' A' ' 510' ' ' ALA . 0.9 OUTLIER -60.87 144.74 52.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.275 -177.034 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 562' ' ' GLN . . . . . 0.453 ' OE1' ' N ' ' A' ' 562' ' ' GLN . 0.2 OUTLIER -90.69 137.93 31.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.871 177.215 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 563' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -45.98 -42.73 13.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.584 -178.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 564' ' ' ILE . . . . . 0.424 HG13 ' H ' ' A' ' 564' ' ' ILE . 0.0 OUTLIER -71.09 -35.21 57.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.524 -179.567 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 565' ' ' GLU . . . . . 0.6 ' N ' ' OE1' ' A' ' 565' ' ' GLU . 3.1 mp0 -65.96 -38.09 87.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.556 -179.009 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 566' ' ' ILE . . . . . . . . . . . . . 81.6 mt -64.93 -49.1 81.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.642 -179.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -64.98 -49.63 69.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.653 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 568' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -61.53 -46.29 90.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.524 -178.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 569' ' ' PHE . . . . . 0.561 ' CD1' HD11 ' A' ' 455' ' ' LEU . 47.2 t80 -62.84 -41.56 99.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.505 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 23.1 t -60.41 -40.22 90.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.534 177.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -58.39 -40.51 82.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.538 177.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 15.0 tp -57.93 -42.58 85.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.443 178.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 573' ' ' ALA . . . . . 0.546 ' O ' ' SD ' ' A' ' 540' ' ' MET . . . -66.19 -44.8 82.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.473 179.518 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 574' ' ' SER . . . . . . . . . . . . . 19.6 m -58.46 -31.26 67.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.537 179.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 17.5 m -64.55 -43.6 93.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.514 -179.59 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -48.68 -38.58 22.39 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 178.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 34.5 m -58.53 -40.06 81.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.799 0.333 . . . . 0.0 110.536 178.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 59.9 mt -54.35 -45.0 72.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.645 178.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 93.1 t -74.93 -51.15 22.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.466 -178.631 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 580' ' ' LEU . . . . . 0.568 ' O ' ' N ' ' A' ' 584' ' ' HIS . 95.5 mt -61.61 -43.51 98.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.499 -178.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -51.87 -52.01 52.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.683 -179.298 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 582' ' ' ARG . . . . . . . . . . . . . 84.0 mtt-85 -76.98 -41.91 41.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.695 -179.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 29.3 tp -70.34 -60.7 2.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.681 -179.219 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 584' ' ' HIS . . . . . 0.568 ' N ' ' O ' ' A' ' 580' ' ' LEU . 63.9 t60 -47.13 -41.87 18.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.612 -178.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 585' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -77.15 -51.04 11.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.687 -179.262 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 28.9 tp -51.77 -49.82 61.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.617 -179.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 587' ' ' GLU . . . . . 0.422 ' HA ' HD12 ' A' ' 590' ' ' ILE . 97.1 mt-10 -55.89 -38.54 70.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.621 179.057 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 588' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -66.67 -43.94 83.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.683 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 589' ' ' THR . . . . . . . . . . . . . 68.3 p -59.42 -33.29 71.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.598 -179.112 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 590' ' ' ILE . . . . . 0.422 HD12 ' HA ' ' A' ' 587' ' ' GLU . 75.7 mt . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.585 -179.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 54.1 p30 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.813 0.34 . . . . 0.0 110.543 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -57.12 -33.02 66.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.58 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 2.8 mm100 -68.15 -32.44 72.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.639 -179.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -61.11 -54.76 40.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.582 -179.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 22.3 pt -61.1 -34.53 60.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.699 -179.118 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 444' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -78.53 -51.59 9.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.669 -179.158 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -55.61 -22.86 24.45 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.723 179.116 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 446' ' ' THR . . . . . 0.487 ' O ' ' HB3' ' A' ' 449' ' ' ALA . 51.5 m -71.98 -58.62 3.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.679 -179.705 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 447' ' ' LEU . . . . . 0.416 ' HG ' ' H ' ' A' ' 447' ' ' LEU . 14.8 mt -39.37 -56.65 1.53 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.602 -179.795 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 448' ' ' VAL . . . . . . . . . . . . . 5.3 p -58.57 -37.62 66.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.682 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 449' ' ' ALA . . . . . 0.487 ' HB3' ' O ' ' A' ' 446' ' ' THR . . . -56.17 -44.54 79.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.583 179.039 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 450' ' ' LYS . . . . . . . . . . . . . 77.2 mttt -72.27 -41.42 66.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.603 178.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . -49.46 -50.91 28.79 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 -179.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 452' ' ' ARG . . . . . 0.524 ' NH2' ' OG ' ' A' ' 477' ' ' SER . 27.9 ttm180 -57.82 -44.92 86.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.821 0.343 . . . . 0.0 110.614 -179.74 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -71.72 -37.84 70.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.622 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 41.4 mt -67.73 -57.77 5.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.649 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 455' ' ' LEU . . . . . 0.587 HD11 ' CD1' ' A' ' 569' ' ' PHE . 97.2 mt -71.23 -25.55 62.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.52 179.215 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . 60.17 44.18 13.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.666 -176.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 457' ' ' CYS . . . . . 0.589 ' C ' HE22 ' A' ' 554' ' ' GLN . 3.1 p -91.6 -159.52 0.65 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.422 -179.803 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 458' ' ' ASP . . . . . 0.498 ' N ' ' NE2' ' A' ' 554' ' ' GLN . 53.8 t0 -115.83 -27.98 6.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.67 -178.136 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 459' ' ' ARG . . . . . 0.555 HH11 HG12 ' A' ' 478' ' ' VAL . 28.5 ttp85 -147.73 141.83 26.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.676 -179.403 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 460' ' ' VAL . . . . . 0.575 ' CG2' ' SG ' ' A' ' 457' ' ' CYS . 39.6 t -148.58 144.96 18.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.314 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 461' ' ' ILE . . . . . 0.444 HG21 HH22 ' A' ' 459' ' ' ARG . 13.7 pt -142.89 151.86 17.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.894 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 462' ' ' VAL . . . . . . . . . . . . . 33.7 t -112.07 132.47 60.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.349 179.125 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 463' ' ' TYR . . . . . 0.927 ' CE1' HD11 ' A' ' 551' ' ' ILE . 1.1 p90 -146.87 146.5 30.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.726 -178.795 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 464' ' ' ALA . . . . . 0.556 ' O ' HG22 ' A' ' 472' ' ' THR . . . -136.32 164.25 28.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.387 178.417 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 465' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -96.19 100.67 12.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.555 -179.008 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 466' ' ' ASP . . . . . 0.547 ' CG ' ' H ' ' A' ' 467' ' ' ASP . 29.3 t0 -74.2 -158.54 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.53 178.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 467' ' ' ASP . . . . . 0.547 ' H ' ' CG ' ' A' ' 466' ' ' ASP . 85.9 m-20 -93.17 15.53 15.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.501 -179.579 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 468' ' ' ASN . . . . . 0.501 ' O ' ' N ' ' A' ' 470' ' ' VAL . 0.4 OUTLIER -126.47 31.55 5.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.617 -178.639 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 469' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 44.04 17.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.594 179.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 470' ' ' VAL . . . . . 0.501 ' N ' ' O ' ' A' ' 468' ' ' ASN . 8.6 p -109.33 142.94 20.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.544 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -75.2 82.33 0.89 Allowed Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.901 -0.879 . . . . 0.0 110.901 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 472' ' ' THR . . . . . 0.556 HG22 ' O ' ' A' ' 464' ' ' ALA . 0.0 OUTLIER -42.04 142.98 0.63 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.815 0.34 . . . . 0.0 110.619 179.937 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 473' ' ' VAL . . . . . 0.463 HG11 ' NH1' ' A' ' 486' ' ' ARG . 91.2 t -88.03 92.78 3.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.511 -178.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 2.4 t -75.74 -67.98 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.632 177.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -149.48 138.08 20.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.58 178.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 476' ' ' GLU . . . . . 0.554 ' OE2' ' HB3' ' A' ' 485' ' ' ALA . 73.5 tt0 -125.16 132.59 53.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.592 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 477' ' ' SER . . . . . 0.524 ' OG ' ' NH2' ' A' ' 452' ' ' ARG . 7.4 t -134.02 115.5 14.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.505 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 478' ' ' VAL . . . . . 0.555 HG12 HH11 ' A' ' 459' ' ' ARG . 24.7 m -122.85 126.73 74.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.562 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 479' ' ' ALA . . . . . . . . . . . . . . . -57.8 167.72 1.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.504 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -61.76 144.58 54.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.563 -179.466 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 102.16 -30.61 10.04 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 178.13 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 482' ' ' TRP . . . . . . . . . . . . . 13.2 m95 -101.91 138.85 19.9 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 120.987 0.423 . . . . 0.0 110.665 178.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 483' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -74.09 171.7 17.44 Favored 'Trans proline' 0 C--N 1.306 -1.695 0 C-N-CA 122.852 2.368 . . . . 0.0 112.088 -179.181 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -84.04 120.98 26.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.657 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 485' ' ' ALA . . . . . 0.554 ' HB3' ' OE2' ' A' ' 476' ' ' GLU . . . -75.44 -7.16 53.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.496 -179.71 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 486' ' ' ARG . . . . . 0.463 ' NH1' HG11 ' A' ' 473' ' ' VAL . 57.9 ttt85 -49.63 -33.91 16.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.56 -179.471 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 487' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -67.05 -17.55 64.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.529 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 488' ' ' GLN . . . . . 0.505 ' OE1' HD21 ' A' ' 530' ' ' LEU . 89.0 mt-30 -106.76 115.66 30.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.547 179.771 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 489' ' ' VAL . . . . . . . . . . . . . 48.3 t -98.91 117.93 44.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.571 179.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 490' ' ' ILE . . . . . 0.772 HD13 ' N ' ' A' ' 490' ' ' ILE . 0.1 OUTLIER -48.62 138.49 3.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.59 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -107.1 -32.86 7.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.536 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 492' ' ' ASP . . . . . . . . . . . . . 45.9 t0 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.608 -179.847 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 54.1 m-85 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.918 0.389 . . . . 0.0 110.602 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 504' ' ' ARG . . . . . 0.529 ' C ' ' H ' ' A' ' 506' ' ' GLY . 57.7 ttt180 -60.43 -54.2 48.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.555 -179.736 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -61.31 3.31 0.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.619 179.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 506' ' ' GLY . . . . . 0.529 ' H ' ' C ' ' A' ' 504' ' ' ARG . . . 79.39 38.66 20.87 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 177.7 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 507' ' ' ARG . . . . . . . . . . . . . 23.5 ttm180 -68.57 137.46 54.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.792 0.329 . . . . 0.0 110.581 178.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 69.3 mt -106.53 123.57 61.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.566 179.4 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 509' ' ' GLN . . . . . . . . . . . . . 61.2 tp60 -114.21 118.52 34.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.528 -178.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 510' ' ' ALA . . . . . 0.86 ' HB1' ' CD1' ' A' ' 561' ' ' TRP . . . -128.15 101.12 6.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.553 178.202 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 511' ' ' THR . . . . . . . . . . . . . 4.1 m -111.5 104.04 12.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.592 -179.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 512' ' ' THR . . . . . . . . . . . . . 8.0 m -50.66 -19.96 1.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.488 179.241 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 513' ' ' ASP . . . . . 0.521 ' N ' ' OD1' ' A' ' 513' ' ' ASP . 6.1 p30 -169.79 117.54 0.59 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.532 -179.01 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 514' ' ' ILE . . . . . 0.641 HG22 ' O ' ' A' ' 514' ' ' ILE . 93.6 mt -69.23 1.19 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.578 179.425 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 515' ' ' PHE . . . . . 0.646 ' CE2' HD22 ' A' ' 524' ' ' LEU . 7.5 m-85 -77.37 -32.9 55.26 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.53 -178.136 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 34.1 pttt -96.2 27.94 3.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.51 179.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -131.33 123.28 27.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.578 -177.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . 60.93 43.87 98.83 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 177.23 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 519' ' ' LEU . . . . . . . . . . . . . 60.4 mt -46.17 169.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.806 0.336 . . . . 0.0 110.61 177.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 520' ' ' THR . . . . . . . . . . . . . 13.9 p 50.07 35.21 9.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.587 179.262 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 52.3 tt0 -146.14 163.73 34.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.479 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 522' ' ' CYS . . . . . 0.655 ' O ' ' CG ' ' A' ' 523' ' ' HIS . 0.7 OUTLIER -59.98 125.6 24.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.46 178.489 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 523' ' ' HIS . . . . . 0.655 ' CG ' ' O ' ' A' ' 522' ' ' CYS . 13.3 m170 -170.61 -82.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.674 -178.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 524' ' ' LEU . . . . . 0.646 HD22 ' CE2' ' A' ' 515' ' ' PHE . 10.1 mt -48.11 -33.7 8.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.674 178.323 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 525' ' ' ASN . . . . . . . . . . . . . 55.8 t-20 -57.27 -43.51 83.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.679 -177.37 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 526' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -103.54 -7.48 20.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.592 -178.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 527' ' ' LEU . . . . . 0.613 ' O ' HG22 ' A' ' 532' ' ' VAL . 95.9 mt -107.18 -25.77 11.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.599 -176.709 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 528' ' ' ARG . . . . . 0.715 ' N ' ' CD ' ' A' ' 529' ' ' PRO . 16.8 tpt180 -68.63 -38.54 12.44 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.379 -177.293 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 529' ' ' PRO . . . . . 0.715 ' CD ' ' N ' ' A' ' 528' ' ' ARG . 34.9 Cg_exo -59.49 -45.63 25.19 Favored 'Trans proline' 0 C--N 1.306 -1.708 0 C-N-CA 122.812 2.341 . . . . 0.0 112.179 -178.238 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 530' ' ' LEU . . . . . 0.559 ' HB2' HG13 ' A' ' 532' ' ' VAL . 67.8 mt -70.03 -6.97 37.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.698 -179.023 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 531' ' ' LYS . . . . . 0.557 ' HZ2' ' C ' ' A' ' 530' ' ' LEU . 4.9 mtmp? 64.31 25.41 13.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.544 178.664 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 532' ' ' VAL . . . . . 0.679 HG23 ' O ' ' A' ' 532' ' ' VAL . 26.3 m -76.02 109.42 9.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.702 179.689 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 533' ' ' ARG . . . . . 0.521 ' NH1' ' O ' ' A' ' 555' ' ' ALA . 74.8 mtt85 -100.07 -14.11 18.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.319 179.6 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 534' ' ' ALA . . . . . 0.577 ' HB3' ' H ' ' A' ' 554' ' ' GLN . . . -130.13 138.48 50.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.103 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 23.1 t30 -128.49 118.25 22.74 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.703 -0.399 . . . . 0.0 111.157 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 536' ' ' LEU . . . . . . . . . . . . . 69.4 tp -130.76 128.16 40.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.998 177.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 58.6 t -130.69 147.51 33.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.052 0.453 . . . . 0.0 111.133 -177.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 538' ' ' VAL . . . . . . . . . . . . . 30.9 m -140.0 129.74 13.75 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.007 178.435 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 539' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -72.39 136.13 25.78 Favored 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 122.719 2.279 . . . . 0.0 112.51 -174.559 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 540' ' ' MET . . . . . 0.456 ' HB3' ' O ' ' A' ' 548' ' ' GLY . 0.9 OUTLIER -127.96 118.07 22.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.049 176.125 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 541' ' ' VAL . . . . . . . . . . . . . 31.0 m . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.103 -175.938 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 546' ' ' LEU . . . . . . . . . . . . . 29.1 tp . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.831 0.348 . . . . 0.0 110.535 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 547' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -112.96 -54.93 2.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.582 -179.331 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 548' ' ' GLY . . . . . 0.544 ' C ' HD12 ' A' ' 549' ' ' LEU . . . -170.58 -175.89 39.6 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 -178.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 549' ' ' LEU . . . . . 0.544 HD12 ' C ' ' A' ' 548' ' ' GLY . 5.2 mp -144.93 141.1 28.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.764 0.316 . . . . 0.0 110.624 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 550' ' ' LEU . . . . . 0.588 ' N ' HD12 ' A' ' 550' ' ' LEU . 7.1 mp -94.66 124.46 38.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.305 179.442 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 551' ' ' ILE . . . . . 0.927 HD11 ' CE1' ' A' ' 463' ' ' TYR . 5.0 mt -117.24 140.64 39.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.871 -179.346 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -125.43 114.33 18.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.184 177.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 553' ' ' HIS . . . . . 0.527 ' CE1' ' CG2' ' A' ' 551' ' ' ILE . 52.7 m80 -108.8 127.86 54.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.879 0.371 . . . . 0.0 110.868 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 554' ' ' GLN . . . . . 0.589 HE22 ' C ' ' A' ' 457' ' ' CYS . 27.1 tp60 -86.59 115.28 23.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.728 175.194 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 555' ' ' ALA . . . . . 0.521 ' O ' ' NH1' ' A' ' 533' ' ' ARG . . . -90.26 -8.61 50.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.51 -176.614 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 556' ' ' SER . . . . . . . . . . . . . 91.6 p -93.49 -31.37 14.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.492 -177.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 173.97 150.18 0.24 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.398 -178.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 558' ' ' PRO . . . . . 0.571 ' HA ' ' HB2' ' A' ' 534' ' ' ALA . 53.4 Cg_endo -70.44 125.41 11.76 Favored 'Trans proline' 0 C--N 1.305 -1.761 0 C-N-CA 122.744 2.296 . . . . 0.0 112.279 179.191 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 11.9 ptm180 -117.93 140.29 49.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.306 -176.431 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 560' ' ' GLN . . . . . 0.474 ' NE2' ' N ' ' A' ' 561' ' ' TRP . 34.4 tp60 -77.93 118.26 20.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.624 176.065 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 561' ' ' TRP . . . . . 0.86 ' CD1' ' HB1' ' A' ' 510' ' ' ALA . 1.1 m95 -57.72 146.83 29.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.353 -177.102 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -94.54 136.7 34.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.832 177.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 563' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -45.81 -43.09 12.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.544 -179.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 564' ' ' ILE . . . . . 0.58 ' O ' ' NE2' ' A' ' 568' ' ' GLN . 6.3 mm -72.69 -35.78 51.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.544 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 88.8 mt-10 -64.95 -35.15 80.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.595 -178.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 566' ' ' ILE . . . . . 0.525 HD11 ' CB ' ' A' ' 561' ' ' TRP . 46.2 mm -65.83 -49.26 78.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.628 -179.55 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 60.8 t0 -63.41 -49.04 75.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.543 -179.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 568' ' ' GLN . . . . . 0.58 ' NE2' ' O ' ' A' ' 564' ' ' ILE . 2.3 mp0 -61.9 -45.3 94.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.518 -178.716 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 569' ' ' PHE . . . . . 0.587 ' CD1' HD11 ' A' ' 455' ' ' LEU . 51.1 t80 -65.48 -43.25 90.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.521 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 21.7 m -60.72 -37.75 82.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.498 177.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 82.9 mt-10 -59.85 -40.54 88.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.575 177.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 15.2 tp -57.39 -42.12 81.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.523 178.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . -68.31 -44.47 75.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.448 179.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 574' ' ' SER . . . . . . . . . . . . . 37.4 m -60.32 -32.89 71.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.557 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 43.7 m -58.48 -51.8 68.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.626 -178.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -51.91 -38.5 46.4 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 24.0 p -59.62 -30.9 69.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.796 0.331 . . . . 0.0 110.558 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 48.9 mt -63.13 -53.67 49.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.551 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 99.3 t -72.55 -45.97 56.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.492 -178.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 580' ' ' LEU . . . . . 0.429 ' O ' ' CB ' ' A' ' 584' ' ' HIS . 49.4 mt -53.55 -36.19 61.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.52 -179.23 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -60.14 -58.46 8.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.72 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 582' ' ' ARG . . . . . . . . . . . . . 57.3 mtm180 -69.86 -40.12 75.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.676 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 43.7 tp -65.14 -54.97 21.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.67 -179.251 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 584' ' ' HIS . . . . . 0.541 ' O ' ' NE2' ' A' ' 588' ' ' GLN . 83.5 t60 -49.94 -32.58 15.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.708 -179.392 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 585' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -77.12 -49.53 15.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.586 -179.423 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 38.0 mt -59.4 -45.61 91.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.647 -178.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 587' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -60.73 -47.35 86.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.598 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 588' ' ' GLN . . . . . 0.639 ' NE2' ' N ' ' A' ' 588' ' ' GLN . 0.1 OUTLIER -68.82 -49.39 58.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.645 -179.303 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 589' ' ' THR . . . . . . . . . . . . . 51.3 m -58.16 -32.28 68.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.632 -178.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 590' ' ' ILE . . . . . . . . . . . . . 11.3 mt . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.559 -179.292 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 439' ' ' ASP . . . . . 0.461 ' CG ' ' H ' ' A' ' 440' ' ' ARG . 43.2 t0 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.87 0.367 . . . . 0.0 110.56 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 440' ' ' ARG . . . . . 0.461 ' H ' ' CG ' ' A' ' 439' ' ' ASP . 7.8 ptp85 -55.89 -30.11 61.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.613 -179.774 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 2.3 mm100 -67.4 -38.29 84.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.666 -179.037 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -57.87 -55.34 36.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.675 -179.346 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 22.7 pt -59.99 -33.05 51.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.72 -179.059 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 444' ' ' PHE . . . . . 0.418 ' CD1' HG11 ' A' ' 474' ' ' VAL . 4.9 m-85 -77.86 -48.57 16.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.661 -179.599 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -56.85 -22.95 40.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.639 179.598 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 446' ' ' THR . . . . . 0.467 ' O ' ' HB3' ' A' ' 449' ' ' ALA . 82.5 m -74.37 -59.26 2.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.598 -179.258 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 447' ' ' LEU . . . . . 0.425 ' HG ' ' H ' ' A' ' 447' ' ' LEU . 18.2 mt -39.77 -58.86 1.27 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.656 -178.674 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 448' ' ' VAL . . . . . 0.467 HG13 ' N ' ' A' ' 449' ' ' ALA . 12.4 p -56.96 -39.19 63.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.613 -179.094 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 449' ' ' ALA . . . . . 0.467 ' HB3' ' O ' ' A' ' 446' ' ' THR . . . -54.71 -43.09 72.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.713 179.551 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 450' ' ' LYS . . . . . . . . . . . . . 50.6 mttm -74.57 -37.59 62.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.631 179.237 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . -50.13 -51.93 28.79 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -178.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 452' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -61.1 -40.91 95.55 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.822 0.344 . . . . 0.0 110.613 -178.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -73.16 -40.37 64.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.607 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 40.2 mt -68.03 -56.19 9.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.614 -179.469 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 455' ' ' LEU . . . . . 0.565 HD11 ' CD1' ' A' ' 569' ' ' PHE . 87.1 mt -70.16 -24.14 63.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.522 -179.772 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . 59.67 41.58 18.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.635 -176.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 5.1 t -91.58 -159.53 0.65 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.502 -179.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 458' ' ' ASP . . . . . 0.419 ' O ' ' HB2' ' A' ' 479' ' ' ALA . 46.7 t0 -114.41 -29.88 6.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.632 -178.772 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 459' ' ' ARG . . . . . 0.428 ' O ' ' O ' ' A' ' 553' ' ' HIS . 6.4 ttp180 -147.38 141.5 26.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.756 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 460' ' ' VAL . . . . . . . . . . . . . 9.7 p -151.77 147.89 14.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.296 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 461' ' ' ILE . . . . . . . . . . . . . 13.5 pt -147.64 155.19 10.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.871 0.367 . . . . 0.0 110.875 -178.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 462' ' ' VAL . . . . . . . . . . . . . 91.3 t -111.58 131.96 61.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.331 177.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 463' ' ' TYR . . . . . 0.855 ' CE1' HD11 ' A' ' 551' ' ' ILE . 1.1 p90 -143.88 144.7 31.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.748 -178.1 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 464' ' ' ALA . . . . . 0.476 ' O ' ' N ' ' A' ' 472' ' ' THR . . . -138.29 166.79 23.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.377 178.155 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 465' ' ' PHE . . . . . 0.416 ' CZ ' HD21 ' A' ' 546' ' ' LEU . 0.0 OUTLIER -98.35 102.07 13.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.528 -179.444 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 466' ' ' ASP . . . . . 0.556 ' CG ' ' H ' ' A' ' 467' ' ' ASP . 31.1 t0 -72.64 -159.09 0.05 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.575 178.661 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 467' ' ' ASP . . . . . 0.556 ' H ' ' CG ' ' A' ' 466' ' ' ASP . 89.7 m-20 -85.35 15.98 4.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.533 -179.626 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 468' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -127.47 7.0 6.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.62 -179.204 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 469' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 64.0 19.47 11.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.551 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 470' ' ' VAL . . . . . . . . . . . . . 99.3 t -106.19 138.3 32.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.56 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -55.94 94.18 0.03 OUTLIER Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.921 -0.871 . . . . 0.0 110.921 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 472' ' ' THR . . . . . 0.476 ' N ' ' O ' ' A' ' 464' ' ' ALA . 18.3 m -46.35 127.61 9.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.813 0.339 . . . . 0.0 110.558 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 473' ' ' VAL . . . . . . . . . . . . . 7.0 t -78.6 67.05 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.543 -179.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 474' ' ' VAL . . . . . 0.442 HG23 ' H ' ' A' ' 474' ' ' VAL . 1.5 t -60.1 -67.0 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.587 179.693 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -153.35 144.41 22.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.548 179.088 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 476' ' ' GLU . . . . . 0.548 ' OE2' ' HB3' ' A' ' 485' ' ' ALA . 2.5 tp10 -125.4 133.39 52.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.575 179.253 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 1.3 p -137.01 118.46 14.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.562 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 478' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 478' ' ' VAL . 6.0 m -125.38 129.75 72.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.545 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 479' ' ' ALA . . . . . 0.419 ' HB2' ' O ' ' A' ' 458' ' ' ASP . . . -57.43 166.65 1.18 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.563 179.468 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 480' ' ' GLU . . . . . 0.573 ' H ' ' CD ' ' A' ' 480' ' ' GLU . 47.6 mp0 -60.67 141.53 56.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.594 -179.303 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 102.34 -30.11 11.1 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.829 -0.909 . . . . 0.0 110.829 177.465 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 482' ' ' TRP . . . . . . . . . . . . . 11.9 m95 -101.08 143.64 26.99 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 120.927 0.394 . . . . 0.0 110.626 179.005 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 483' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -72.94 166.29 30.44 Favored 'Trans proline' 0 C--N 1.304 -1.797 0 C-N-CA 122.916 2.411 . . . . 0.0 112.086 -179.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -75.82 121.19 22.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.662 179.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 485' ' ' ALA . . . . . 0.548 ' HB3' ' OE2' ' A' ' 476' ' ' GLU . . . -76.05 -11.36 59.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.516 -179.601 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 486' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -51.28 -35.4 37.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.568 -179.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 487' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -69.22 -19.78 63.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.457 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -105.75 117.56 34.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.519 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 489' ' ' VAL . . . . . 0.45 HG13 ' O ' ' A' ' 489' ' ' VAL . 14.3 p -110.3 129.67 64.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.591 179.33 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 490' ' ' ILE . . . . . 0.403 HG21 HD13 ' A' ' 490' ' ' ILE . 9.7 pt -55.03 126.13 11.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.539 -179.443 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 41.5 tp10 -83.95 -35.36 24.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.597 179.633 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 492' ' ' ASP . . . . . 0.473 ' H ' HE22 ' A' ' 526' ' ' GLN . 36.8 t0 . . . . . 0 C--N 1.331 -0.233 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.595 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 44.3 m-85 . . . . . 0 C--O 1.23 0.041 0 CA-C-O 120.831 0.348 . . . . 0.0 110.558 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 61.1 ttp180 -60.23 -18.88 51.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.57 -179.346 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 505' ' ' GLN . . . . . 0.702 HE21 ' HE ' ' A' ' 507' ' ' ARG . 15.4 pt20 -105.96 -3.17 22.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.603 -178.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . 83.81 37.32 11.84 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 179.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 507' ' ' ARG . . . . . 0.702 ' HE ' HE21 ' A' ' 505' ' ' GLN . 22.1 ttm180 -73.77 148.25 42.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.771 0.319 . . . . 0.0 110.578 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 72.1 mt -107.67 123.88 63.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.565 179.139 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 509' ' ' GLN . . . . . . . . . . . . . 61.5 tp60 -113.64 119.28 36.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.537 -179.285 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 510' ' ' ALA . . . . . 0.781 ' HB1' ' CD1' ' A' ' 561' ' ' TRP . . . -128.73 102.15 6.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.566 178.339 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 511' ' ' THR . . . . . . . . . . . . . 3.8 m -110.97 104.64 13.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.596 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 512' ' ' THR . . . . . . . . . . . . . 70.7 p -52.15 -20.28 2.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.503 179.196 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 513' ' ' ASP . . . . . 0.53 ' N ' ' OD1' ' A' ' 513' ' ' ASP . 5.2 p30 -169.42 117.63 0.63 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.548 -179.198 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 514' ' ' ILE . . . . . 0.575 HG22 ' O ' ' A' ' 514' ' ' ILE . 68.1 mt -69.19 0.32 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.517 179.276 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 515' ' ' PHE . . . . . 0.611 ' CE2' HD22 ' A' ' 524' ' ' LEU . 8.5 m-85 -76.67 -32.24 57.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.485 -178.222 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 15.8 pttp -96.79 27.49 3.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.53 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -130.8 122.75 27.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.57 -177.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . 61.27 44.94 97.45 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 177.243 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 519' ' ' LEU . . . . . . . . . . . . . 63.6 mt -48.49 169.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.77 0.319 . . . . 0.0 110.651 178.017 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 520' ' ' THR . . . . . . . . . . . . . 2.3 m 50.85 33.83 9.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.586 179.314 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 57.0 tt0 -145.96 162.8 37.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.443 179.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 522' ' ' CYS . . . . . 0.666 ' O ' ' CG ' ' A' ' 523' ' ' HIS . 0.8 OUTLIER -60.12 126.04 25.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.562 178.566 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 523' ' ' HIS . . . . . 0.666 ' CG ' ' O ' ' A' ' 522' ' ' CYS . 15.2 m170 -170.24 -80.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.719 -179.116 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 524' ' ' LEU . . . . . 0.704 ' O ' ' HB2' ' A' ' 528' ' ' ARG . 14.2 mt -47.0 -32.1 3.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.694 177.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 525' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -56.61 -42.85 79.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.718 -177.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 526' ' ' GLN . . . . . 0.473 HE22 ' H ' ' A' ' 492' ' ' ASP . 22.2 mt-30 -104.76 -7.14 19.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.54 -179.245 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 527' ' ' LEU . . . . . 0.533 ' O ' HG22 ' A' ' 532' ' ' VAL . 17.4 mt -105.78 -28.97 10.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.559 -176.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 528' ' ' ARG . . . . . 0.704 ' HB2' ' O ' ' A' ' 524' ' ' LEU . 0.0 OUTLIER -68.18 -41.16 24.58 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.31 -177.225 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 529' ' ' PRO . . . . . 0.681 ' CD ' ' N ' ' A' ' 528' ' ' ARG . 32.5 Cg_exo -56.52 -47.2 25.04 Favored 'Trans proline' 0 C--N 1.305 -1.722 0 C-N-CA 122.911 2.407 . . . . 0.0 112.272 -179.08 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 530' ' ' LEU . . . . . 0.505 ' HB2' HG13 ' A' ' 532' ' ' VAL . 87.4 mt -68.28 -6.8 25.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.664 -179.248 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 28.6 mtmt 61.08 26.65 16.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.533 178.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 532' ' ' VAL . . . . . 0.695 HG23 ' O ' ' A' ' 532' ' ' VAL . 22.0 m -75.73 108.93 8.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.606 179.346 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 87.8 mtt-85 -95.01 -16.43 22.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.384 -179.543 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 534' ' ' ALA . . . . . 0.646 ' HB2' ' HA ' ' A' ' 558' ' ' PRO . . . -129.42 138.47 51.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.155 -179.598 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 535' ' ' ASN . . . . . 0.424 ' HB2' HD11 ' A' ' 514' ' ' ILE . 30.4 t30 -127.71 117.31 21.7 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.641 -0.424 . . . . 0.0 111.144 179.525 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 536' ' ' LEU . . . . . . . . . . . . . 43.4 tp -130.69 129.13 42.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.919 178.166 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 64.7 t -130.41 146.62 33.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.068 0.461 . . . . 0.0 111.162 -178.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 538' ' ' VAL . . . . . . . . . . . . . 33.0 m -138.8 131.52 15.84 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.093 178.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 539' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -73.01 132.85 18.84 Favored 'Trans proline' 0 C--N 1.304 -1.788 0 C-N-CA 122.761 2.307 . . . . 0.0 112.438 -175.172 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 540' ' ' MET . . . . . 0.531 ' SD ' ' O ' ' A' ' 573' ' ' ALA . 5.5 ttt -125.45 119.36 28.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.087 176.575 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 541' ' ' VAL . . . . . . . . . . . . . 26.2 m . . . . . 0 C--N 1.329 -0.315 0 CA-C-O 120.94 0.4 . . . . 0.0 111.103 -176.055 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 546' ' ' LEU . . . . . 0.416 HD21 ' CZ ' ' A' ' 465' ' ' PHE . 12.5 tp . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.814 0.34 . . . . 0.0 110.607 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 547' ' ' PHE . . . . . 0.414 ' CE2' ' CD2' ' A' ' 580' ' ' LEU . 60.4 t80 -115.0 -53.4 2.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.505 -179.08 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -171.17 -177.94 41.33 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -178.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 549' ' ' LEU . . . . . . . . . . . . . 4.0 mp -141.13 144.15 34.69 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.807 0.337 . . . . 0.0 110.602 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -96.95 125.98 41.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.283 178.13 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 551' ' ' ILE . . . . . 0.855 HD11 ' CE1' ' A' ' 463' ' ' TYR . 5.6 mt -117.45 139.52 44.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.965 0.412 . . . . 0.0 110.882 -178.582 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -124.26 114.51 19.69 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.156 178.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 553' ' ' HIS . . . . . 0.532 ' CE1' ' CG2' ' A' ' 551' ' ' ILE . 51.9 m80 -109.93 127.92 55.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.872 179.655 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 554' ' ' GLN . . . . . 0.585 ' H ' ' HB3' ' A' ' 534' ' ' ALA . 34.5 tt0 -89.17 117.98 28.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.591 175.151 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -90.91 -6.23 54.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.508 -176.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 556' ' ' SER . . . . . . . . . . . . . 89.3 p -95.46 -32.35 12.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.489 -178.073 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 557' ' ' GLU . . . . . 0.453 ' O ' ' OE1' ' A' ' 554' ' ' GLN . 2.6 pt-20 174.15 151.07 0.25 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.369 -178.423 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 558' ' ' PRO . . . . . 0.646 ' HA ' ' HB2' ' A' ' 534' ' ' ALA . 56.0 Cg_endo -72.05 125.34 10.83 Favored 'Trans proline' 0 C--N 1.304 -1.78 0 C-N-CA 122.803 2.336 . . . . 0.0 112.184 178.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 559' ' ' ARG . . . . . 0.433 ' NH1' ' O ' ' A' ' 455' ' ' LEU . 10.8 ptm180 -117.86 141.02 48.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.314 -177.232 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 560' ' ' GLN . . . . . . . . . . . . . 44.9 tp60 -78.52 117.12 19.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.679 176.3 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 561' ' ' TRP . . . . . 0.781 ' CD1' ' HB1' ' A' ' 510' ' ' ALA . 0.9 OUTLIER -58.96 145.56 41.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.355 -176.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.11 139.0 31.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.821 177.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 563' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -46.65 -42.63 16.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.478 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 564' ' ' ILE . . . . . . . . . . . . . 1.2 mt -74.13 -34.67 38.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.553 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 -65.94 -36.73 84.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.552 -179.126 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 566' ' ' ILE . . . . . 0.562 HD11 ' CB ' ' A' ' 561' ' ' TRP . 44.5 mm -66.03 -48.48 81.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.659 179.706 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -62.41 -47.93 81.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.624 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 568' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -61.92 -44.53 96.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.574 -179.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 569' ' ' PHE . . . . . 0.565 ' CD1' HD11 ' A' ' 455' ' ' LEU . 52.5 t80 -66.81 -44.44 81.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.516 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 20.3 m -58.97 -36.67 75.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.474 177.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 82.8 mt-10 -61.35 -39.1 89.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.525 177.51 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 13.7 tp -57.99 -44.13 86.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.456 178.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 573' ' ' ALA . . . . . 0.531 ' O ' ' SD ' ' A' ' 540' ' ' MET . . . -65.98 -44.67 84.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.454 179.385 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 574' ' ' SER . . . . . . . . . . . . . 21.5 t -58.61 -31.77 68.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.495 179.285 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 20.7 m -61.96 -44.83 95.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.583 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -47.15 -38.32 11.44 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 178.464 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 18.7 m -56.43 -39.24 72.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.748 0.309 . . . . 0.0 110.541 178.324 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 57.6 mt -56.55 -49.56 74.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.601 178.08 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 94.1 t -73.77 -52.0 22.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.541 -179.416 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 580' ' ' LEU . . . . . 0.501 ' O ' ' N ' ' A' ' 584' ' ' HIS . 8.5 mp -52.61 -49.6 64.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.507 -179.573 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -56.01 -36.28 67.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.707 -179.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 582' ' ' ARG . . . . . . . . . . . . . 59.5 ttm-85 -73.7 -49.22 26.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.715 -179.35 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 62.4 mt -77.29 -49.84 14.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.67 -178.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 584' ' ' HIS . . . . . 0.567 ' O ' ' NE2' ' A' ' 588' ' ' GLN . 81.8 t60 -47.47 -43.78 24.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.659 -178.651 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 585' ' ' PHE . . . . . 0.473 ' O ' HG23 ' A' ' 589' ' ' THR . 31.4 m-85 -82.1 -52.62 6.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.63 -179.604 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 49.5 tp -56.99 -47.43 80.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.72 -178.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 587' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -59.9 -43.71 94.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.669 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 588' ' ' GLN . . . . . 0.691 ' NE2' ' N ' ' A' ' 588' ' ' GLN . 0.0 OUTLIER -67.32 -50.52 59.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.712 179.896 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 589' ' ' THR . . . . . 0.473 HG23 ' O ' ' A' ' 585' ' ' PHE . 47.4 p -57.57 -32.74 67.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.636 -179.353 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 590' ' ' ILE . . . . . . . . . . . . . 2.2 mm . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.537 -179.554 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 439' ' ' ASP . . . . . 0.444 ' OD1' ' N ' ' A' ' 440' ' ' ARG . 56.0 t0 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.73 0.3 . . . . 0.0 110.624 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 440' ' ' ARG . . . . . 0.444 ' N ' ' OD1' ' A' ' 439' ' ' ASP . 74.2 ttt180 -55.64 -37.32 68.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.561 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 2.1 mm100 -69.79 -35.89 75.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.694 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -55.86 -54.73 41.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.573 -179.196 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 24.9 pt -59.37 -30.76 44.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.76 -178.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 444' ' ' PHE . . . . . 0.401 ' CD1' HG11 ' A' ' 474' ' ' VAL . 6.5 m-85 -78.48 -49.33 13.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.678 -179.593 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -56.28 -24.82 45.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.714 179.533 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 446' ' ' THR . . . . . 0.496 ' O ' ' HB3' ' A' ' 449' ' ' ALA . 72.1 m -71.34 -59.59 2.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.56 -179.415 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 447' ' ' LEU . . . . . 0.404 ' C ' ' O ' ' A' ' 446' ' ' THR . 16.0 mt -39.27 -57.42 1.36 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.577 -179.264 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 448' ' ' VAL . . . . . . . . . . . . . 6.0 p -58.35 -37.57 64.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.619 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 449' ' ' ALA . . . . . 0.496 ' HB3' ' O ' ' A' ' 446' ' ' THR . . . -55.94 -43.67 77.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.666 179.161 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 450' ' ' LYS . . . . . . . . . . . . . 80.2 mttt -74.27 -37.86 63.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.639 178.304 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . -50.73 -52.66 28.86 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.114 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 452' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -61.74 -38.78 89.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.729 0.299 . . . . 0.0 110.528 -178.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -74.13 -40.7 62.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.629 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 33.1 mt -67.55 -55.77 12.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.613 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 455' ' ' LEU . . . . . 0.575 HD11 ' CD1' ' A' ' 569' ' ' PHE . 93.5 mt -71.05 -25.14 62.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.584 179.69 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . 59.59 44.48 14.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.694 -176.443 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 457' ' ' CYS . . . . . 0.679 ' CB ' HE22 ' A' ' 554' ' ' GLN . 82.5 m -93.03 -159.1 0.65 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.47 -179.396 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 458' ' ' ASP . . . . . 0.469 ' N ' ' OE1' ' A' ' 554' ' ' GLN . 51.2 t0 -115.12 -28.75 6.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.627 -178.129 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 459' ' ' ARG . . . . . 0.403 HH12 ' HB3' ' A' ' 482' ' ' TRP . 26.4 ttm-85 -148.43 143.91 27.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.775 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 460' ' ' VAL . . . . . . . . . . . . . 62.0 t -148.0 143.74 19.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.292 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 461' ' ' ILE . . . . . . . . . . . . . 15.0 pt -140.16 148.9 22.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.931 -179.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 462' ' ' VAL . . . . . . . . . . . . . 40.6 t -111.97 133.35 57.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.398 178.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 463' ' ' TYR . . . . . 0.856 ' CE1' HD11 ' A' ' 551' ' ' ILE . 1.4 p90 -146.88 145.28 29.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.745 -178.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 464' ' ' ALA . . . . . 0.555 ' O ' HG22 ' A' ' 472' ' ' THR . . . -135.57 163.47 30.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.343 178.279 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 465' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -96.75 101.18 12.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.555 -178.574 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 466' ' ' ASP . . . . . 0.554 ' CG ' ' H ' ' A' ' 467' ' ' ASP . 31.1 t0 -73.12 -159.63 0.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.561 178.546 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 467' ' ' ASP . . . . . 0.554 ' H ' ' CG ' ' A' ' 466' ' ' ASP . 79.6 m-20 -91.71 15.61 12.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.512 -179.392 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 468' ' ' ASN . . . . . 0.449 ' O ' HG23 ' A' ' 470' ' ' VAL . 0.7 OUTLIER -125.0 21.71 8.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.625 -178.909 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 469' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 52.27 16.76 0.63 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.609 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 470' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 468' ' ' ASN . 41.6 t -110.15 136.5 45.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.524 179.77 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 471' ' ' GLY . . . . . 0.632 ' HA3' HD11 ' A' ' 490' ' ' ILE . . . -66.16 88.99 0.13 Allowed Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.904 -0.879 . . . . 0.0 110.904 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 472' ' ' THR . . . . . 0.555 HG22 ' O ' ' A' ' 464' ' ' ALA . 0.1 OUTLIER -47.72 133.82 13.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.774 0.321 . . . . 0.0 110.613 179.876 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 473' ' ' VAL . . . . . . . . . . . . . 4.1 t -76.44 89.06 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.501 -179.176 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 474' ' ' VAL . . . . . 0.401 HG11 ' CD1' ' A' ' 444' ' ' PHE . 2.9 t -73.08 -69.05 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.643 178.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -151.28 141.33 22.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.508 178.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 476' ' ' GLU . . . . . 0.42 ' OE2' ' HB3' ' A' ' 485' ' ' ALA . 4.4 tp10 -123.89 130.8 53.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.602 179.415 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 9.8 t -132.61 114.92 14.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.493 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 478' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 478' ' ' VAL . 12.9 m -124.33 127.12 72.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.567 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 479' ' ' ALA . . . . . . . . . . . . . . . -57.82 168.57 0.89 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.541 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -61.75 144.15 55.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.541 -179.283 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 102.22 -31.0 9.21 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 178.115 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 482' ' ' TRP . . . . . 0.403 ' HB3' HH12 ' A' ' 459' ' ' ARG . 21.2 m95 -98.86 144.39 28.09 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 120.939 0.4 . . . . 0.0 110.671 178.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 483' ' ' PRO . . . . . 0.429 ' CD ' ' NZ ' ' A' ' 531' ' ' LYS . 59.9 Cg_endo -73.72 169.77 21.58 Favored 'Trans proline' 0 C--N 1.305 -1.763 0 C-N-CA 122.808 2.338 . . . . 0.0 112.094 -179.351 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -78.73 112.3 15.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.632 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 485' ' ' ALA . . . . . 0.42 ' HB3' ' OE2' ' A' ' 476' ' ' GLU . . . -77.2 -10.16 59.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.552 -179.521 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 486' ' ' ARG . . . . . . . . . . . . . 65.5 ttt180 -53.53 -32.05 48.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.552 -179.547 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 487' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -71.46 -11.61 60.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.565 -179.196 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 92.1 mt-30 -105.01 117.77 34.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.542 -179.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 489' ' ' VAL . . . . . . . . . . . . . 59.2 t -102.3 117.41 47.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.495 179.116 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 490' ' ' ILE . . . . . 0.632 HD11 ' HA3' ' A' ' 471' ' ' GLY . 5.5 pt -52.0 114.62 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.576 -179.478 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 79.0 tt0 -79.35 -33.36 43.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.587 -179.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 492' ' ' ASP . . . . . . . . . . . . . 37.1 t0 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.629 -179.481 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 503' ' ' TYR . . . . . 0.558 ' OH ' ' NE2' ' A' ' 509' ' ' GLN . 57.6 m-85 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.781 0.324 . . . . 0.0 110.53 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 56.1 ttp180 -59.47 -16.65 25.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.588 -179.302 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -103.76 -2.84 25.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.615 -179.255 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . 83.45 36.38 14.5 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -179.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 507' ' ' ARG . . . . . . . . . . . . . 60.9 ttm-85 -73.85 147.27 43.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.79 0.329 . . . . 0.0 110.541 -179.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 6.7 pt -107.29 123.36 62.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.601 178.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 509' ' ' GLN . . . . . 0.558 ' NE2' ' OH ' ' A' ' 503' ' ' TYR . 6.3 tt0 -113.01 118.28 34.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.53 -178.673 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 510' ' ' ALA . . . . . 0.791 ' HB1' ' CD1' ' A' ' 561' ' ' TRP . . . -128.79 102.3 6.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.598 178.498 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 511' ' ' THR . . . . . . . . . . . . . 4.1 m -110.4 105.46 14.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.533 -179.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 512' ' ' THR . . . . . . . . . . . . . 38.5 p -52.21 -20.2 2.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.592 178.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 513' ' ' ASP . . . . . 0.45 ' OD2' ' NZ ' ' A' ' 516' ' ' LYS . 4.3 p30 -168.19 116.68 0.73 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.567 -179.281 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 514' ' ' ILE . . . . . 0.575 HG22 ' O ' ' A' ' 514' ' ' ILE . 84.6 mt -68.81 -2.54 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.498 179.092 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 515' ' ' PHE . . . . . 0.558 ' CZ ' HD22 ' A' ' 524' ' ' LEU . 7.2 m-85 -75.74 -30.21 59.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.515 -178.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 516' ' ' LYS . . . . . 0.45 ' NZ ' ' OD2' ' A' ' 513' ' ' ASP . 49.6 mttp -90.39 27.91 1.58 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.534 179.062 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -133.22 142.64 48.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.612 -177.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . 40.99 46.91 4.13 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.936 -0.865 . . . . 0.0 110.936 177.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 519' ' ' LEU . . . . . 0.454 ' C ' ' H ' ' A' ' 521' ' ' GLU . 8.9 mt -44.77 154.88 0.12 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.754 0.311 . . . . 0.0 110.577 177.595 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 520' ' ' THR . . . . . . . . . . . . . 1.9 m 72.25 -41.83 0.52 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.589 177.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 521' ' ' GLU . . . . . 0.454 ' H ' ' C ' ' A' ' 519' ' ' LEU . 78.8 mt-10 -66.98 159.66 28.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.447 -179.127 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 522' ' ' CYS . . . . . 0.681 ' O ' ' CG ' ' A' ' 523' ' ' HIS . 1.2 p -62.64 130.69 46.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.544 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 523' ' ' HIS . . . . . 0.681 ' CG ' ' O ' ' A' ' 522' ' ' CYS . 17.9 m170 -170.09 -78.68 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.638 -179.315 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 524' ' ' LEU . . . . . 0.704 ' O ' ' HB2' ' A' ' 528' ' ' ARG . 15.7 mt -45.52 -29.71 1.24 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.754 177.384 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 525' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -55.1 -44.28 74.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.72 -177.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 526' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -103.34 -7.52 20.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.576 -179.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 527' ' ' LEU . . . . . 0.619 ' O ' HG22 ' A' ' 532' ' ' VAL . 13.4 mt -104.4 -30.94 9.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.548 -177.061 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 528' ' ' ARG . . . . . 0.704 ' HB2' ' O ' ' A' ' 524' ' ' LEU . 0.0 OUTLIER -66.84 -42.69 45.04 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.331 -177.482 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 529' ' ' PRO . . . . . 0.666 ' CD ' ' N ' ' A' ' 528' ' ' ARG . 37.6 Cg_exo -55.51 -45.83 36.77 Favored 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 122.968 2.445 . . . . 0.0 112.205 -179.065 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 22.2 mt -68.04 -6.18 21.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.643 -179.344 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 531' ' ' LYS . . . . . 0.429 ' NZ ' ' CD ' ' A' ' 483' ' ' PRO . 22.6 mtmt 62.13 27.92 16.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.522 177.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 532' ' ' VAL . . . . . 0.718 HG23 ' O ' ' A' ' 532' ' ' VAL . 23.5 m -75.53 105.87 4.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.628 178.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 533' ' ' ARG . . . . . 0.463 ' NH1' ' O ' ' A' ' 556' ' ' SER . 89.7 mtt180 -91.82 -13.19 31.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.33 -179.659 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 534' ' ' ALA . . . . . 0.64 ' HB2' ' HA ' ' A' ' 558' ' ' PRO . . . -135.63 141.89 45.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.132 -179.751 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -128.34 119.91 25.99 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.711 -0.396 . . . . 0.0 111.254 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 536' ' ' LEU . . . . . . . . . . . . . 64.5 tp -132.5 128.1 36.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.979 177.369 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 537' ' ' VAL . . . . . 0.419 HG22 HG23 ' A' ' 551' ' ' ILE . 64.0 t -130.14 147.49 33.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.063 0.458 . . . . 0.0 111.237 -177.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 538' ' ' VAL . . . . . . . . . . . . . 35.3 m -139.91 132.84 15.1 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.098 178.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 539' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -72.52 136.48 26.12 Favored 'Trans proline' 0 C--N 1.305 -1.76 0 C-N-CA 122.778 2.319 . . . . 0.0 112.486 -175.408 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 540' ' ' MET . . . . . 0.509 ' SD ' ' O ' ' A' ' 573' ' ' ALA . 5.2 ttt -133.68 116.36 15.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.078 176.569 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 541' ' ' VAL . . . . . . . . . . . . . 31.5 m . . . . . 0 C--N 1.327 -0.384 0 CA-C-O 121.002 0.43 . . . . 0.0 111.114 -176.202 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 546' ' ' LEU . . . . . . . . . . . . . 33.3 tp . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.833 0.349 . . . . 0.0 110.639 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 547' ' ' PHE . . . . . 0.429 ' O ' ' HB1' ' A' ' 464' ' ' ALA . 69.9 t80 -114.46 -53.89 2.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.466 -179.217 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 548' ' ' GLY . . . . . 0.585 ' C ' HD12 ' A' ' 549' ' ' LEU . . . -175.2 -177.45 44.29 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 -179.223 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 549' ' ' LEU . . . . . 0.585 HD12 ' C ' ' A' ' 548' ' ' GLY . 5.3 mp -143.69 142.99 31.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.843 0.354 . . . . 0.0 110.548 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 550' ' ' LEU . . . . . 0.616 ' N ' HD12 ' A' ' 550' ' ' LEU . 7.4 mp -93.81 124.81 38.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.293 179.306 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 551' ' ' ILE . . . . . 0.856 HD11 ' CE1' ' A' ' 463' ' ' TYR . 5.2 mt -116.59 138.54 46.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.929 -178.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -123.96 114.16 19.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.269 178.152 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 553' ' ' HIS . . . . . 0.539 ' CE1' ' CG2' ' A' ' 551' ' ' ILE . 56.0 m80 -108.51 128.5 54.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.963 0.411 . . . . 0.0 110.803 -179.479 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 554' ' ' GLN . . . . . 0.679 HE22 ' CB ' ' A' ' 457' ' ' CYS . 4.3 tp-100 -88.01 114.76 24.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.643 174.549 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -89.0 -7.56 55.75 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.498 -176.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 556' ' ' SER . . . . . 0.463 ' O ' ' NH1' ' A' ' 533' ' ' ARG . 14.4 t -94.3 -32.42 13.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.541 -177.791 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 173.86 150.76 0.24 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.419 -178.219 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 558' ' ' PRO . . . . . 0.64 ' HA ' ' HB2' ' A' ' 534' ' ' ALA . 51.7 Cg_endo -70.22 124.58 11.03 Favored 'Trans proline' 0 C--N 1.304 -1.791 0 C-N-CA 122.751 2.301 . . . . 0.0 112.289 178.793 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 559' ' ' ARG . . . . . 0.512 ' NH2' ' OE1' ' A' ' 565' ' ' GLU . 9.0 ptm180 -117.65 140.69 49.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.372 -176.748 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 560' ' ' GLN . . . . . . . . . . . . . 39.0 tp60 -78.23 116.87 18.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.652 176.354 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 561' ' ' TRP . . . . . 0.791 ' CD1' ' HB1' ' A' ' 510' ' ' ALA . 1.0 OUTLIER -60.12 146.83 41.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.323 -177.296 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -93.01 139.16 30.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.873 177.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 563' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -47.41 -42.73 22.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.488 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 564' ' ' ILE . . . . . 0.402 ' N ' HD13 ' A' ' 564' ' ' ILE . 6.3 mm -74.71 -34.33 33.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.506 179.531 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 565' ' ' GLU . . . . . 0.512 ' OE1' ' NH2' ' A' ' 559' ' ' ARG . 90.1 mt-10 -68.03 -37.9 81.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.558 -179.478 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 566' ' ' ILE . . . . . 0.561 HD11 ' HB2' ' A' ' 561' ' ' TRP . 98.1 mt -68.25 -48.85 71.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.547 -179.711 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -61.64 -45.44 94.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.581 -179.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 568' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -64.8 -43.46 93.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.538 -179.503 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 569' ' ' PHE . . . . . 0.575 ' CD1' HD11 ' A' ' 455' ' ' LEU . 50.1 t80 -63.96 -42.49 97.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.502 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 23.1 t -60.86 -39.78 90.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.459 178.036 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 -57.34 -39.57 76.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.521 177.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 13.2 tp -58.77 -43.94 90.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.498 178.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 573' ' ' ALA . . . . . 0.509 ' O ' ' SD ' ' A' ' 540' ' ' MET . . . -65.47 -45.85 82.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.436 179.782 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 574' ' ' SER . . . . . . . . . . . . . 20.2 t -62.4 -33.55 74.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.602 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 31.9 m -53.72 -54.95 30.8 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.515 -178.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 576' ' ' GLY . . . . . 0.401 ' O ' HD13 ' A' ' 580' ' ' LEU . . . -52.64 -36.88 49.57 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 577' ' ' SER . . . . . 0.42 ' OG ' ' CG ' ' A' ' 540' ' ' MET . 1.9 m -59.7 -37.37 78.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.783 0.325 . . . . 0.0 110.519 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 33.9 mt -57.17 -53.21 60.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.557 -178.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 72.0 t -70.44 -52.77 26.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.482 -178.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 580' ' ' LEU . . . . . 0.401 HD13 ' O ' ' A' ' 576' ' ' GLY . 7.4 mp -50.56 -33.94 23.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.568 -179.232 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 581' ' ' GLU . . . . . 0.458 ' O ' ' CD1' ' A' ' 585' ' ' PHE . 85.9 tt0 -58.29 -55.22 37.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.629 -179.539 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 582' ' ' ARG . . . . . . . . . . . . . 93.1 mtt180 -83.31 -33.3 25.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.823 -179.167 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 583' ' ' LEU . . . . . 0.569 HD23 ' C ' ' A' ' 583' ' ' LEU . 3.5 tt -67.38 -61.23 2.01 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.651 -178.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 584' ' ' HIS . . . . . . . . . . . . . 76.9 t60 -54.67 -43.26 72.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.602 -178.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 585' ' ' PHE . . . . . 0.458 ' CD1' ' O ' ' A' ' 581' ' ' GLU . 9.5 m-85 -67.03 -44.77 79.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.671 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 27.7 tp -49.78 -51.21 41.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.642 179.414 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 587' ' ' GLU . . . . . 0.443 ' HA ' HD12 ' A' ' 590' ' ' ILE . 92.5 mt-10 -53.97 -35.69 62.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.635 178.656 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 588' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -62.89 -47.41 83.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.657 179.607 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 589' ' ' THR . . . . . . . . . . . . . 36.3 m -57.49 -34.1 68.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.553 -179.074 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 590' ' ' ILE . . . . . 0.443 HD12 ' HA ' ' A' ' 587' ' ' GLU . 73.4 mt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.614 -178.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 439' ' ' ASP . . . . . 0.449 ' OD1' ' N ' ' A' ' 440' ' ' ARG . 56.5 t0 . . . . . 0 CA--C 1.527 0.071 0 CA-C-O 120.8 0.333 . . . . 0.0 110.538 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 440' ' ' ARG . . . . . 0.449 ' N ' ' OD1' ' A' ' 439' ' ' ASP . 82.0 mtp180 -55.94 -34.13 65.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.602 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 3.0 mm100 -68.94 -38.03 79.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.654 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -56.59 -54.67 43.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.714 -179.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 28.3 pt -60.32 -30.46 46.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.704 -179.101 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 444' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -79.56 -49.11 12.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.664 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -56.89 -23.99 48.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.74 179.532 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 446' ' ' THR . . . . . 0.487 ' O ' ' HB3' ' A' ' 449' ' ' ALA . 78.4 m -72.69 -59.49 2.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.635 -179.26 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 447' ' ' LEU . . . . . 0.406 ' HG ' ' H ' ' A' ' 447' ' ' LEU . 15.8 mt -39.19 -58.29 1.19 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.611 -179.219 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 448' ' ' VAL . . . . . 0.418 HG13 ' N ' ' A' ' 449' ' ' ALA . 7.1 p -57.43 -37.78 59.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.61 -179.739 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 449' ' ' ALA . . . . . 0.487 ' HB3' ' O ' ' A' ' 446' ' ' THR . . . -56.75 -45.09 82.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.623 179.201 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 450' ' ' LYS . . . . . . . . . . . . . 82.0 mttt -71.18 -43.62 67.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.657 178.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . -48.49 -48.95 27.55 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 452' ' ' ARG . . . . . . . . . . . . . 59.4 ttp180 -58.14 -42.89 86.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.826 0.346 . . . . 0.0 110.638 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -74.38 -38.09 63.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.659 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 33.5 mt -67.62 -56.49 9.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.574 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 455' ' ' LEU . . . . . 0.565 HD11 ' CE1' ' A' ' 569' ' ' PHE . 87.3 mt -70.73 -26.55 63.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.55 179.33 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . 59.56 44.16 15.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.684 -175.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 457' ' ' CYS . . . . . 0.588 ' SG ' ' NH1' ' A' ' 559' ' ' ARG . 65.0 m -91.38 -159.42 0.64 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.495 -179.46 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 458' ' ' ASP . . . . . 0.448 ' N ' ' NE2' ' A' ' 554' ' ' GLN . 52.7 t0 -114.87 -28.86 6.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.584 -178.282 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 459' ' ' ARG . . . . . . . . . . . . . 10.5 ttp180 -148.08 142.67 26.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.703 -179.49 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 460' ' ' VAL . . . . . 0.423 ' O ' ' O ' ' A' ' 477' ' ' SER . 39.8 t -148.83 144.2 18.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.287 179.558 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 461' ' ' ILE . . . . . . . . . . . . . 13.9 pt -143.12 152.21 16.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.869 0.366 . . . . 0.0 110.829 -178.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 462' ' ' VAL . . . . . . . . . . . . . 45.5 t -113.23 133.18 59.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.339 177.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 463' ' ' TYR . . . . . 0.57 ' CD1' ' C ' ' A' ' 463' ' ' TYR . 0.0 OUTLIER -144.01 145.33 32.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.744 -177.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 464' ' ' ALA . . . . . 0.502 ' N ' ' CD1' ' A' ' 463' ' ' TYR . . . -137.92 164.91 27.82 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.425 176.784 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 465' ' ' PHE . . . . . 0.477 ' O ' ' CG ' ' A' ' 465' ' ' PHE . 17.0 p90 -107.75 109.42 20.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.586 -179.051 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 466' ' ' ASP . . . . . 0.569 ' CG ' ' H ' ' A' ' 467' ' ' ASP . 31.2 t0 -73.63 -156.21 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.56 179.172 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 467' ' ' ASP . . . . . 0.569 ' H ' ' CG ' ' A' ' 466' ' ' ASP . 43.8 t0 -89.88 18.06 6.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.55 -179.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 468' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -126.49 8.14 7.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.555 -178.534 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 469' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 64.03 17.53 10.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.572 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 470' ' ' VAL . . . . . . . . . . . . . 98.3 t -103.81 135.39 41.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.614 179.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -63.97 106.02 1.28 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 472' ' ' THR . . . . . . . . . . . . . 63.8 m -65.73 135.91 55.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.81 0.338 . . . . 0.0 110.589 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 473' ' ' VAL . . . . . 0.445 ' H ' HG22 ' A' ' 473' ' ' VAL . 4.5 m -85.7 71.63 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.504 -179.429 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 2.8 t -60.16 -68.07 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.678 179.239 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -151.81 141.9 22.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.592 179.062 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 476' ' ' GLU . . . . . 0.519 ' OE1' ' N ' ' A' ' 486' ' ' ARG . 63.5 tt0 -127.31 134.54 50.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.521 179.215 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 477' ' ' SER . . . . . 0.423 ' O ' ' O ' ' A' ' 460' ' ' VAL . 25.1 p -132.35 113.79 13.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.474 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 478' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 478' ' ' VAL . 24.7 m -123.99 127.4 73.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.684 179.741 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 479' ' ' ALA . . . . . . . . . . . . . . . -58.06 167.36 1.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.569 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -61.33 145.93 49.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.54 -179.248 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 100.35 -31.07 8.94 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 177.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 482' ' ' TRP . . . . . . . . . . . . . 22.4 m95 -98.5 141.12 22.4 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 120.948 0.404 . . . . 0.0 110.651 178.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 483' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_endo -74.49 173.23 14.64 Favored 'Trans proline' 0 C--N 1.306 -1.701 0 C-N-CA 122.845 2.363 . . . . 0.0 112.111 -179.104 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -87.54 119.78 28.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.646 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 485' ' ' ALA . . . . . 0.51 ' N ' ' OE2' ' A' ' 476' ' ' GLU . . . -75.95 -8.36 56.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.55 -179.615 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 486' ' ' ARG . . . . . 0.519 ' N ' ' OE1' ' A' ' 476' ' ' GLU . 74.3 ttt180 -50.32 -29.78 10.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.615 -179.347 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 487' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -67.8 -15.42 63.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.543 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -108.11 114.44 28.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.559 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 489' ' ' VAL . . . . . 0.629 HG13 ' O ' ' A' ' 489' ' ' VAL . 9.9 p -91.74 113.32 26.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.523 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 490' ' ' ILE . . . . . 0.41 ' H ' HG13 ' A' ' 490' ' ' ILE . 62.0 mt -45.7 103.94 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.599 179.49 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -79.37 -31.7 42.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.551 -179.655 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 492' ' ' ASP . . . . . . . . . . . . . 39.7 t0 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.541 -179.623 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.798 0.333 . . . . 0.0 110.58 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 56.7 ttp180 -54.8 -17.68 3.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.595 179.021 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -87.9 -10.07 51.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.633 179.506 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . 80.61 2.75 90.0 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 507' ' ' ARG . . . . . 0.561 ' CG ' ' H ' ' A' ' 508' ' ' ILE . 32.4 ttm180 -57.26 175.64 0.14 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.828 0.347 . . . . 0.0 110.577 -179.024 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 508' ' ' ILE . . . . . 0.561 ' H ' ' CG ' ' A' ' 507' ' ' ARG . 71.4 mt -115.16 136.03 53.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.618 -179.181 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 509' ' ' GLN . . . . . . . . . . . . . 11.3 tp-100 -112.13 119.77 39.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.567 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 510' ' ' ALA . . . . . 0.818 ' HB1' ' CD1' ' A' ' 561' ' ' TRP . . . -129.69 101.62 5.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.581 179.179 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 511' ' ' THR . . . . . . . . . . . . . 5.1 m -109.35 103.69 12.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.612 179.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 512' ' ' THR . . . . . . . . . . . . . 41.6 p -51.57 -20.48 1.97 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.455 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 513' ' ' ASP . . . . . 0.438 ' O ' ' OD1' ' A' ' 513' ' ' ASP . 15.3 p30 -168.81 116.47 0.66 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.563 -178.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 514' ' ' ILE . . . . . 0.59 HG22 ' O ' ' A' ' 514' ' ' ILE . 87.5 mt -68.46 -2.32 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.52 178.784 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 515' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -72.02 -29.38 64.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.548 -179.107 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 77.4 mttt -93.27 27.58 2.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.543 179.334 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -130.88 141.05 50.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.486 -177.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . 41.04 44.81 3.72 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 177.191 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 519' ' ' LEU . . . . . 0.548 ' C ' HG23 ' A' ' 520' ' ' THR . 2.1 mt -42.47 155.69 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.756 0.312 . . . . 0.0 110.661 177.766 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 520' ' ' THR . . . . . 0.548 HG23 ' C ' ' A' ' 519' ' ' LEU . 2.2 p 67.83 -41.7 0.44 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.622 178.08 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 521' ' ' GLU . . . . . 0.521 ' H ' ' C ' ' A' ' 519' ' ' LEU . 58.8 tt0 -66.95 162.44 21.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.391 -178.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 522' ' ' CYS . . . . . 0.696 ' O ' ' CG ' ' A' ' 523' ' ' HIS . 0.8 OUTLIER -58.28 124.52 19.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.544 179.326 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 523' ' ' HIS . . . . . 0.696 ' CG ' ' O ' ' A' ' 522' ' ' CYS . 13.0 m170 -173.19 -80.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.646 -178.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 524' ' ' LEU . . . . . 0.509 ' O ' ' N ' ' A' ' 528' ' ' ARG . 0.6 OUTLIER -49.5 -34.87 18.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.754 178.169 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 525' ' ' ASN . . . . . . . . . . . . . 47.2 t-20 -58.42 -41.5 85.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.672 -178.15 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 526' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -100.51 -8.7 22.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.588 -178.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 527' ' ' LEU . . . . . 0.487 HD13 HG21 ' A' ' 514' ' ' ILE . 17.2 mt -105.37 -24.12 12.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.58 -178.173 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 528' ' ' ARG . . . . . 0.708 ' N ' ' CD ' ' A' ' 529' ' ' PRO . 18.0 tpt180 -67.28 -39.9 23.76 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.274 -177.794 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 529' ' ' PRO . . . . . 0.708 ' CD ' ' N ' ' A' ' 528' ' ' ARG . 34.9 Cg_exo -59.66 -46.46 20.28 Favored 'Trans proline' 0 C--N 1.306 -1.69 0 C-N-CA 122.922 2.415 . . . . 0.0 112.225 -177.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 530' ' ' LEU . . . . . 0.519 ' HB2' HG13 ' A' ' 532' ' ' VAL . 49.7 mt -67.73 -8.53 36.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.704 -178.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 19.8 mtmt 62.61 27.66 16.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.474 178.167 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 532' ' ' VAL . . . . . 0.672 HG23 ' O ' ' A' ' 532' ' ' VAL . 31.2 m -76.46 108.75 9.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.671 178.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 69.0 mtp85 -95.38 -14.39 23.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.311 -179.601 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 534' ' ' ALA . . . . . 0.668 ' HB3' ' H ' ' A' ' 554' ' ' GLN . . . -131.92 139.68 48.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.1 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 29.6 t30 -127.9 118.54 23.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.921 0.391 . . . . 0.0 111.198 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 536' ' ' LEU . . . . . 0.401 ' O ' HG23 ' A' ' 551' ' ' ILE . 64.5 tp -132.89 126.69 32.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.953 176.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 537' ' ' VAL . . . . . 0.481 HG12 ' HD3' ' A' ' 539' ' ' PRO . 39.2 t -127.83 144.35 37.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.923 0.392 . . . . 0.0 111.237 -176.476 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 538' ' ' VAL . . . . . 0.632 HG23 ' O ' ' A' ' 538' ' ' VAL . 27.1 m -155.28 82.16 3.95 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.093 178.693 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 539' ' ' PRO . . . . . 0.481 ' HD3' HG12 ' A' ' 537' ' ' VAL . 78.7 Cg_endo -87.22 137.73 4.51 Favored 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.807 2.338 . . . . 0.0 112.445 -176.463 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 540' ' ' MET . . . . . 0.533 ' SD ' ' O ' ' A' ' 573' ' ' ALA . 5.9 ptt? -92.67 150.28 20.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.101 177.182 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 541' ' ' VAL . . . . . . . . . . . . . 20.5 m . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.148 -176.484 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 546' ' ' LEU . . . . . 0.751 ' N ' HD12 ' A' ' 546' ' ' LEU . 6.7 mp . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.801 0.334 . . . . 0.0 110.575 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 547' ' ' PHE . . . . . 0.479 ' CE1' HD21 ' A' ' 580' ' ' LEU . 2.2 t80 -116.72 -37.17 3.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.55 -179.338 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -156.73 161.26 30.88 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 -178.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 549' ' ' LEU . . . . . 0.499 ' N ' HD12 ' A' ' 549' ' ' LEU . 1.4 mp -137.44 114.5 10.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.813 0.339 . . . . 0.0 110.623 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 550' ' ' LEU . . . . . 0.574 ' N ' HD12 ' A' ' 550' ' ' LEU . 10.4 mp -94.35 113.54 25.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.292 179.441 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 551' ' ' ILE . . . . . 0.513 ' CG2' ' CE1' ' A' ' 553' ' ' HIS . 9.8 mt -118.66 139.35 46.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.916 -178.268 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -124.83 116.53 22.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.195 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 553' ' ' HIS . . . . . 0.513 ' CE1' ' CG2' ' A' ' 551' ' ' ILE . 48.1 m80 -109.94 128.62 55.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.905 0.383 . . . . 0.0 110.822 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 554' ' ' GLN . . . . . 0.668 ' H ' ' HB3' ' A' ' 534' ' ' ALA . 23.3 tp60 -88.24 112.78 23.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.65 174.755 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -87.62 -7.34 57.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.452 -176.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 556' ' ' SER . . . . . . . . . . . . . 86.0 p -94.26 -31.4 14.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.477 -177.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 173.3 150.13 0.23 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.364 -178.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 558' ' ' PRO . . . . . 0.586 ' HA ' ' HB2' ' A' ' 534' ' ' ALA . 52.1 Cg_endo -70.05 125.11 11.62 Favored 'Trans proline' 0 C--N 1.305 -1.72 0 C-N-CA 122.826 2.351 . . . . 0.0 112.188 179.02 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 559' ' ' ARG . . . . . 0.588 ' NH1' ' SG ' ' A' ' 457' ' ' CYS . 15.6 ptm180 -117.19 140.17 49.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.349 -176.392 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 560' ' ' GLN . . . . . . . . . . . . . 36.4 tp60 -78.57 116.19 18.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.638 176.239 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 561' ' ' TRP . . . . . 0.818 ' CD1' ' HB1' ' A' ' 510' ' ' ALA . 0.9 OUTLIER -59.99 136.7 58.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.337 -177.161 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.4 138.81 35.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.836 177.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 563' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -47.37 -43.23 23.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.48 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 564' ' ' ILE . . . . . 0.518 HG22 HE21 ' A' ' 568' ' ' GLN . 5.0 mm -74.07 -35.03 40.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.584 179.463 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -67.52 -37.01 82.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.558 -179.489 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 566' ' ' ILE . . . . . 0.556 HD11 ' HB2' ' A' ' 561' ' ' TRP . 96.7 mt -66.61 -50.19 68.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.68 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 61.8 t0 -61.77 -45.83 92.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.59 -179.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 568' ' ' GLN . . . . . 0.596 ' O ' ' HG2' ' A' ' 571' ' ' GLU . 43.1 mt-30 -63.39 -45.97 88.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.57 -179.266 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 569' ' ' PHE . . . . . 0.565 ' CE1' HD11 ' A' ' 455' ' ' LEU . 47.5 t80 -62.74 -42.71 99.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.495 -179.466 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 84.4 p -61.61 -27.75 68.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.483 178.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 571' ' ' GLU . . . . . 0.596 ' HG2' ' O ' ' A' ' 568' ' ' GLN . 3.9 pt-20 -66.49 -39.24 88.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.478 179.142 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 572' ' ' LEU . . . . . 0.584 ' N ' ' HG2' ' A' ' 571' ' ' GLU . 12.9 tp -59.1 -43.98 91.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.551 179.105 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 573' ' ' ALA . . . . . 0.533 ' O ' ' SD ' ' A' ' 540' ' ' MET . . . -65.58 -45.65 82.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.468 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 574' ' ' SER . . . . . . . . . . . . . 85.2 p -61.68 -32.01 72.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.529 179.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 31.9 m -56.34 -53.5 56.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.579 -179.042 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 576' ' ' GLY . . . . . 0.506 ' O ' ' N ' ' A' ' 580' ' ' LEU . . . -53.07 -38.77 56.48 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 19.0 p -58.73 -28.68 66.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.765 0.316 . . . . 0.0 110.488 -179.421 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 21.4 mt -68.14 -53.46 25.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.54 -179.512 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 579' ' ' VAL . . . . . 0.593 HG13 ' N ' ' A' ' 580' ' ' LEU . 10.9 p -85.06 -45.57 17.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.528 -178.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 580' ' ' LEU . . . . . 0.593 ' N ' HG13 ' A' ' 579' ' ' VAL . 38.8 tp -48.82 -40.52 29.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.534 -179.55 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -67.08 -53.38 31.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.608 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 582' ' ' ARG . . . . . . . . . . . . . 52.6 mtm180 -66.73 -35.2 79.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.676 -179.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 50.8 tp -73.51 -56.69 4.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.636 -179.396 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 584' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -49.5 -39.17 33.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.641 -179.332 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 585' ' ' PHE . . . . . 0.43 ' CE2' HG21 ' A' ' 589' ' ' THR . 72.4 t80 -73.01 -48.59 34.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.664 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 28.1 tp -50.58 -51.36 49.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.75 179.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 587' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -57.94 -37.43 74.09 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.659 179.065 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 588' ' ' GLN . . . . . 0.403 ' CA ' HE21 ' A' ' 588' ' ' GLN . 0.4 OUTLIER -64.61 -51.57 61.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.674 -179.139 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 589' ' ' THR . . . . . 0.43 HG21 ' CE2' ' A' ' 585' ' ' PHE . 71.0 p -60.39 -30.43 69.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.58 -178.376 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 590' ' ' ILE . . . . . . . . . . . . . 35.2 mt . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.572 -179.021 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 54.6 p30 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.772 0.32 . . . . 0.0 110.615 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 68.6 ttt180 -55.5 -33.77 64.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.542 -179.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -69.98 -33.69 72.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.683 -179.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -57.03 -55.25 37.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.72 -179.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 24.5 pt -59.04 -29.14 40.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.764 -179.29 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 444' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -79.17 -49.22 12.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.617 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -56.73 -25.56 54.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.661 179.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 446' ' ' THR . . . . . 0.468 ' O ' ' N ' ' A' ' 449' ' ' ALA . 98.0 m -71.06 -60.26 2.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.628 -179.319 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 447' ' ' LEU . . . . . 0.462 ' HG ' ' H ' ' A' ' 447' ' ' LEU . 16.6 mt -38.42 -55.66 1.35 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.591 -179.552 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 448' ' ' VAL . . . . . . . . . . . . . 7.7 p -61.14 -35.49 66.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.674 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 449' ' ' ALA . . . . . 0.468 ' N ' ' O ' ' A' ' 446' ' ' THR . . . -59.46 -46.98 87.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.681 179.473 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 450' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -68.51 -45.44 72.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.632 178.199 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . -48.29 -47.2 28.04 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 179.189 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 452' ' ' ARG . . . . . . . . . . . . . 68.9 ttp85 -56.62 -43.81 80.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.828 0.346 . . . . 0.0 110.665 179.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -77.27 -38.34 51.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.655 -179.28 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 39.3 mt -66.47 -59.07 3.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.649 -179.358 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 455' ' ' LEU . . . . . 0.557 HD21 ' HB2' ' A' ' 569' ' ' PHE . 88.7 mt -71.26 -26.77 63.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.549 179.2 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . 59.5 42.47 17.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.612 -175.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 457' ' ' CYS . . . . . 0.525 ' SG ' ' O ' ' A' ' 459' ' ' ARG . 40.2 t -94.2 138.61 32.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.429 -178.467 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 458' ' ' ASP . . . . . 0.815 ' H ' ' NE2' ' A' ' 554' ' ' GLN . 45.0 t0 -48.7 -32.86 9.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.601 178.814 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 459' ' ' ARG . . . . . 0.59 HH21 HG12 ' A' ' 478' ' ' VAL . 21.7 mtp-105 -147.14 144.97 29.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.751 -178.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 460' ' ' VAL . . . . . . . . . . . . . 7.5 p -150.88 145.02 16.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.276 178.474 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 461' ' ' ILE . . . . . . . . . . . . . 13.9 pt -144.45 153.17 15.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.871 -178.134 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 462' ' ' VAL . . . . . . . . . . . . . 93.0 t -113.52 134.19 57.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.345 177.439 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 463' ' ' TYR . . . . . 0.547 ' O ' ' CD1' ' A' ' 463' ' ' TYR . 0.0 OUTLIER -141.32 142.28 33.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.704 -177.913 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 464' ' ' ALA . . . . . 0.543 ' O ' HG22 ' A' ' 472' ' ' THR . . . -136.47 164.32 28.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.346 177.666 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 465' ' ' PHE . . . . . 0.487 ' CD2' ' O ' ' A' ' 465' ' ' PHE . 13.3 p90 -100.51 104.39 15.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.539 -179.178 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 466' ' ' ASP . . . . . 0.575 ' CG ' ' H ' ' A' ' 467' ' ' ASP . 35.9 t0 -72.45 -159.37 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.496 179.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 467' ' ' ASP . . . . . 0.575 ' H ' ' CG ' ' A' ' 466' ' ' ASP . 88.2 m-20 -92.5 14.14 17.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.618 -179.269 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 468' ' ' ASN . . . . . 0.459 ' O ' ' N ' ' A' ' 470' ' ' VAL . 0.6 OUTLIER -124.98 28.38 6.44 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.544 -178.484 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 469' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 46.83 15.77 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.629 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 470' ' ' VAL . . . . . 0.459 ' N ' ' O ' ' A' ' 468' ' ' ASN . 25.3 t -108.32 133.8 52.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.582 179.132 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -65.6 98.35 0.33 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 472' ' ' THR . . . . . 0.543 HG22 ' O ' ' A' ' 464' ' ' ALA . 0.0 OUTLIER -57.23 130.83 47.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.858 0.361 . . . . 0.0 110.613 179.701 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 473' ' ' VAL . . . . . 0.422 ' H ' HG22 ' A' ' 473' ' ' VAL . 3.1 m -78.61 79.67 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.532 -179.194 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 474' ' ' VAL . . . . . 0.439 HG23 ' H ' ' A' ' 474' ' ' VAL . 2.0 t -59.07 -67.16 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.631 178.775 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -150.7 141.42 22.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.56 179.052 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 476' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -125.59 131.69 52.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.611 179.171 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 23.1 t -134.89 118.66 17.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.474 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 478' ' ' VAL . . . . . 0.59 HG12 HH21 ' A' ' 459' ' ' ARG . 4.7 m -123.78 126.64 73.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.568 179.733 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 479' ' ' ALA . . . . . 0.499 ' HB2' ' O ' ' A' ' 458' ' ' ASP . . . -57.48 169.05 0.69 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.491 179.742 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 480' ' ' GLU . . . . . 0.535 ' H ' ' CD ' ' A' ' 480' ' ' GLU . 47.9 mp0 -61.72 143.75 55.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.58 -179.149 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 100.15 -30.55 9.89 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.871 -0.892 . . . . 0.0 110.871 178.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 482' ' ' TRP . . . . . . . . . . . . . 13.1 m95 -100.59 146.66 32.43 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 120.964 0.412 . . . . 0.0 110.668 178.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 483' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -78.28 168.39 21.74 Favored 'Trans proline' 0 C--N 1.304 -1.782 0 C-N-CA 122.889 2.393 . . . . 0.0 112.093 -178.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 484' ' ' GLN . . . . . 0.442 ' NE2' ' CG2' ' A' ' 478' ' ' VAL . 80.9 mm-40 -80.1 117.35 20.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.681 179.701 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -76.15 -10.5 59.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.491 -179.458 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 486' ' ' ARG . . . . . . . . . . . . . 71.0 ttt180 -54.5 -31.82 56.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.606 -179.367 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 487' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -68.57 -11.79 60.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.551 -179.183 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 488' ' ' GLN . . . . . 0.635 ' OE1' HD21 ' A' ' 530' ' ' LEU . 83.4 mt-30 -105.76 116.46 31.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.516 179.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 489' ' ' VAL . . . . . . . . . . . . . 91.0 t -89.86 103.65 14.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.554 179.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 4.9 pt -51.99 116.32 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.554 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 42.7 tp10 -78.87 -24.54 44.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.551 -179.016 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 492' ' ' ASP . . . . . . . . . . . . . 43.3 t0 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.538 -179.811 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 503' ' ' TYR . . . . . 0.419 ' CD1' ' CD2' ' A' ' 549' ' ' LEU . 75.0 m-85 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.872 0.368 . . . . 0.0 110.589 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 10.9 tpp85 -62.36 -17.58 59.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.561 -179.284 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -105.81 -2.88 22.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.644 -179.098 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . 84.3 37.5 10.96 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.45 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 507' ' ' ARG . . . . . 0.566 HH12 ' NE2' ' A' ' 509' ' ' GLN . 57.4 ttt-85 -73.28 147.13 44.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.696 0.284 . . . . 0.0 110.6 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 78.9 mt -107.19 123.56 62.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.602 179.203 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 509' ' ' GLN . . . . . 0.566 ' NE2' HH12 ' A' ' 507' ' ' ARG . 6.4 tp-100 -112.74 118.07 33.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.503 -179.031 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 510' ' ' ALA . . . . . 0.74 ' HB1' ' CD1' ' A' ' 561' ' ' TRP . . . -127.86 101.16 6.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.589 178.123 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 511' ' ' THR . . . . . . . . . . . . . 4.7 m -110.3 105.15 14.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.567 -179.155 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 512' ' ' THR . . . . . . . . . . . . . 37.1 p -52.41 -20.71 3.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.515 179.304 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 513' ' ' ASP . . . . . 0.508 ' N ' ' OD1' ' A' ' 513' ' ' ASP . 17.2 p-10 -168.03 117.76 0.78 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.566 -179.073 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 514' ' ' ILE . . . . . 0.604 HG22 ' O ' ' A' ' 514' ' ' ILE . 92.1 mt -70.36 -1.27 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.551 178.553 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 515' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -69.9 -29.13 66.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.544 -178.076 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 18.5 pttp -94.72 29.1 2.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.55 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -129.78 141.46 50.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.535 -177.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . 41.36 44.09 3.86 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 176.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 519' ' ' LEU . . . . . 0.499 HD23 ' N ' ' A' ' 519' ' ' LEU . 1.5 mt -43.1 157.71 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.854 0.359 . . . . 0.0 110.594 178.063 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 520' ' ' THR . . . . . . . . . . . . . 2.9 m 68.14 -44.36 0.5 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.579 178.363 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 521' ' ' GLU . . . . . 0.487 ' H ' ' C ' ' A' ' 519' ' ' LEU . 61.0 tt0 -65.64 160.43 22.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.518 -179.581 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 522' ' ' CYS . . . . . 0.69 ' O ' ' CG ' ' A' ' 523' ' ' HIS . 1.5 p -60.71 126.77 28.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.497 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 523' ' ' HIS . . . . . 0.69 ' CG ' ' O ' ' A' ' 522' ' ' CYS . 14.5 m170 -172.06 -79.98 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.642 -178.569 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 524' ' ' LEU . . . . . 0.559 ' O ' ' N ' ' A' ' 528' ' ' ARG . 0.6 OUTLIER -47.76 -33.0 6.53 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.645 177.815 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 525' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -58.09 -41.52 83.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.718 -177.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 526' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -98.42 -8.81 26.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.6 -177.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 527' ' ' LEU . . . . . 0.62 ' O ' HG22 ' A' ' 532' ' ' VAL . 43.1 mt -106.86 -25.46 11.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.506 -178.271 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 528' ' ' ARG . . . . . 0.712 ' N ' ' CD ' ' A' ' 529' ' ' PRO . 10.0 tpt180 -66.57 -38.98 21.91 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.294 -178.098 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 529' ' ' PRO . . . . . 0.712 ' CD ' ' N ' ' A' ' 528' ' ' ARG . 31.9 Cg_exo -61.04 -44.81 22.38 Favored 'Trans proline' 0 C--N 1.305 -1.718 0 C-N-CA 122.983 2.455 . . . . 0.0 112.184 -178.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 530' ' ' LEU . . . . . 0.635 HD21 ' OE1' ' A' ' 488' ' ' GLN . 76.5 mt -70.64 -8.28 50.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.689 -179.383 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 531' ' ' LYS . . . . . 0.52 ' HZ2' ' C ' ' A' ' 530' ' ' LEU . 5.3 mtmp? 64.91 26.83 12.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.605 178.656 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 532' ' ' VAL . . . . . 0.661 HG23 ' O ' ' A' ' 532' ' ' VAL . 31.0 m -76.46 109.18 10.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.647 179.064 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 86.3 mtt180 -100.81 -14.4 18.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.434 -179.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 534' ' ' ALA . . . . . 0.677 ' HB2' ' HA ' ' A' ' 558' ' ' PRO . . . -127.83 136.93 52.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.141 -179.637 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 23.3 t30 -127.75 117.26 21.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.937 0.399 . . . . 0.0 111.178 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 536' ' ' LEU . . . . . . . . . . . . . 52.7 tp -130.47 128.31 40.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.988 178.206 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 50.5 t -131.07 147.62 33.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.999 0.428 . . . . 0.0 111.19 -178.089 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 538' ' ' VAL . . . . . 0.409 ' O ' HG23 ' A' ' 538' ' ' VAL . 18.4 m -139.69 132.17 15.08 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.057 178.543 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 539' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -72.83 137.32 26.84 Favored 'Trans proline' 0 C--N 1.304 -1.79 0 C-N-CA 122.734 2.289 . . . . 0.0 112.535 -175.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 540' ' ' MET . . . . . 0.514 ' SD ' ' O ' ' A' ' 573' ' ' ALA . 2.9 ttt -128.37 119.57 25.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.119 176.625 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 541' ' ' VAL . . . . . . . . . . . . . 23.4 m . . . . . 0 C--N 1.329 -0.303 0 CA-C-O 121.029 0.443 . . . . 0.0 111.093 -176.024 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 546' ' ' LEU . . . . . . . . . . . . . 16.4 tp . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.91 0.386 . . . . 0.0 110.536 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 547' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -110.22 -51.06 2.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.465 -178.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -171.58 -178.8 42.21 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.914 -0.875 . . . . 0.0 110.914 -178.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 549' ' ' LEU . . . . . 0.459 ' C ' HD12 ' A' ' 550' ' ' LEU . 3.5 mp -139.1 139.93 37.83 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.825 0.345 . . . . 0.0 110.545 -179.388 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 550' ' ' LEU . . . . . 0.684 ' N ' HD12 ' A' ' 550' ' ' LEU . 7.3 mp -93.27 124.68 37.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.317 178.58 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 551' ' ' ILE . . . . . 0.508 ' CG2' ' CE1' ' A' ' 553' ' ' HIS . 4.7 mt -118.49 139.59 45.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.948 0.404 . . . . 0.0 110.836 -177.558 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -126.06 118.2 24.81 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.195 178.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 553' ' ' HIS . . . . . 0.508 ' CE1' ' CG2' ' A' ' 551' ' ' ILE . 47.1 m80 -111.99 129.39 56.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.825 -179.689 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 554' ' ' GLN . . . . . 0.815 ' NE2' ' H ' ' A' ' 458' ' ' ASP . 22.4 tp60 -89.95 118.01 29.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.649 174.556 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 555' ' ' ALA . . . . . 0.562 ' HB2' ' HD3' ' A' ' 459' ' ' ARG . . . -90.56 -5.5 55.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.514 -176.594 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 556' ' ' SER . . . . . . . . . . . . . 7.5 t -96.04 -31.26 13.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.5 -178.058 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 173.72 149.34 0.23 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.337 -178.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 558' ' ' PRO . . . . . 0.677 ' HA ' ' HB2' ' A' ' 534' ' ' ALA . 43.5 Cg_endo -69.4 124.49 11.29 Favored 'Trans proline' 0 C--N 1.303 -1.819 0 C-N-CA 122.778 2.319 . . . . 0.0 112.239 178.826 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -118.18 140.43 49.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.329 -176.47 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 560' ' ' GLN . . . . . . . . . . . . . 65.3 tp60 -78.62 119.4 21.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.676 176.419 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 561' ' ' TRP . . . . . 0.74 ' CD1' ' HB1' ' A' ' 510' ' ' ALA . 0.7 OUTLIER -62.15 143.01 57.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.351 -177.536 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 74.6 mm-40 -87.66 142.06 28.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.796 177.36 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 563' ' ' GLU . . . . . . . . . . . . . 44.9 tp10 -48.48 -40.36 26.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.531 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 564' ' ' ILE . . . . . 0.773 HD13 ' N ' ' A' ' 564' ' ' ILE . 0.0 OUTLIER -75.15 -32.95 27.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.546 -179.81 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 565' ' ' GLU . . . . . 0.466 ' OE1' HD23 ' A' ' 455' ' ' LEU . 46.6 mm-40 -66.62 -37.86 85.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.605 -179.325 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 566' ' ' ILE . . . . . . . . . . . . . 97.4 mt -67.7 -47.33 80.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.648 179.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -64.1 -49.03 73.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.566 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 568' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -61.69 -44.19 97.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.56 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 569' ' ' PHE . . . . . 0.557 ' HB2' HD21 ' A' ' 455' ' ' LEU . 39.4 t80 -66.05 -43.6 87.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.54 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 26.7 m -59.61 -36.27 75.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.487 178.07 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -60.41 -39.48 87.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.461 177.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 15.5 tp -58.08 -44.7 87.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.516 178.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 573' ' ' ALA . . . . . 0.514 ' O ' ' SD ' ' A' ' 540' ' ' MET . . . -64.98 -45.13 86.95 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.489 179.691 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 574' ' ' SER . . . . . . . . . . . . . 23.0 t -57.94 -30.15 65.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.533 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 25.6 m -62.1 -44.81 95.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.611 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -49.33 -39.97 29.43 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 178.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 29.6 m -55.7 -40.24 72.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.763 0.316 . . . . 0.0 110.579 179.046 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 45.9 mt -55.22 -48.98 73.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.589 178.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 579' ' ' VAL . . . . . 0.411 ' O ' ' CB ' ' A' ' 583' ' ' LEU . 88.3 t -72.96 -57.19 7.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.514 -178.733 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 580' ' ' LEU . . . . . 0.433 ' O ' ' CB ' ' A' ' 584' ' ' HIS . 9.8 mp -50.18 -47.81 54.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.565 -178.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -47.15 -70.46 0.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.651 -179.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 582' ' ' ARG . . . . . . . . . . . . . 80.0 mtp180 -66.23 -46.79 75.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.712 -179.176 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 583' ' ' LEU . . . . . 0.411 ' CB ' ' O ' ' A' ' 579' ' ' VAL . 39.4 tp -55.39 -59.03 5.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.613 -179.228 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 584' ' ' HIS . . . . . 0.503 ' O ' ' NE2' ' A' ' 588' ' ' GLN . 83.1 t60 -49.29 -30.48 7.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.693 -179.343 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 585' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -76.49 -50.05 14.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.647 -179.195 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 89.5 mt -62.02 -42.04 98.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.613 -179.199 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 587' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -60.82 -48.99 79.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.593 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 588' ' ' GLN . . . . . 0.626 ' NE2' ' N ' ' A' ' 588' ' ' GLN . 0.2 OUTLIER -69.69 -45.97 67.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.679 -179.879 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 589' ' ' THR . . . . . . . . . . . . . 60.4 m -58.31 -34.44 70.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.585 -178.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 590' ' ' ILE . . . . . . . . . . . . . 11.4 mt . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.593 -179.202 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.804 0.335 . . . . 0.0 110.605 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 40.1 ttp180 -61.63 -33.01 73.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.585 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 2.3 mm100 -69.88 -33.39 72.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.633 -179.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -56.33 -55.69 30.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.626 -179.117 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 20.7 pt -58.71 -32.56 46.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.687 -178.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 444' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -78.73 -50.14 11.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.654 -179.497 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -55.93 -24.44 37.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.684 179.597 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 446' ' ' THR . . . . . 0.518 ' O ' ' HB3' ' A' ' 449' ' ' ALA . 98.9 m -71.41 -59.72 2.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.728 -179.591 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 447' ' ' LEU . . . . . 0.413 ' H ' ' HG ' ' A' ' 447' ' ' LEU . 15.5 mt -38.84 -58.06 1.14 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.62 -179.743 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 448' ' ' VAL . . . . . . . . . . . . . 7.0 p -57.68 -36.99 56.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.642 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 449' ' ' ALA . . . . . 0.518 ' HB3' ' O ' ' A' ' 446' ' ' THR . . . -56.04 -43.19 77.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.681 179.325 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 450' ' ' LYS . . . . . 0.475 ' NZ ' ' CG2' ' A' ' 446' ' ' THR . 25.1 mttp -73.9 -37.05 64.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.598 178.336 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . -51.97 -52.7 33.82 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.212 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 452' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -60.41 -40.2 90.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.791 0.329 . . . . 0.0 110.623 -179.021 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -74.06 -38.91 63.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.597 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 39.0 mt -68.51 -56.85 6.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.533 179.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 455' ' ' LEU . . . . . 0.577 HD21 ' HB2' ' A' ' 569' ' ' PHE . 95.1 mt -70.35 -25.39 63.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.564 179.386 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . 59.66 44.06 14.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.643 -176.273 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 457' ' ' CYS . . . . . 0.577 ' C ' HE22 ' A' ' 554' ' ' GLN . 68.2 m -91.47 -159.15 0.61 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.515 -179.833 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 458' ' ' ASP . . . . . 0.471 ' N ' ' NE2' ' A' ' 554' ' ' GLN . 50.7 t0 -114.26 -27.11 7.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.668 -178.398 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 459' ' ' ARG . . . . . 0.462 HH21 ' CG1' ' A' ' 478' ' ' VAL . 74.2 mtp180 -151.44 147.41 26.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.77 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 460' ' ' VAL . . . . . 0.49 HG13 ' O ' ' A' ' 551' ' ' ILE . 18.5 t -147.94 142.46 19.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.248 179.265 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 461' ' ' ILE . . . . . . . . . . . . . 9.1 tt -137.74 141.82 37.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.84 -179.319 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 462' ' ' VAL . . . . . 0.437 ' HB ' ' H ' ' A' ' 475' ' ' ALA . 23.3 t -106.51 128.98 60.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.362 179.374 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 463' ' ' TYR . . . . . 0.449 ' CD1' ' C ' ' A' ' 463' ' ' TYR . 0.2 OUTLIER -145.92 146.68 31.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.71 -178.38 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 464' ' ' ALA . . . . . 0.496 ' O ' HG22 ' A' ' 472' ' ' THR . . . -137.77 167.27 22.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.354 178.348 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 465' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -96.01 100.6 12.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.565 -179.15 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 466' ' ' ASP . . . . . 0.564 ' CG ' ' H ' ' A' ' 467' ' ' ASP . 32.8 t0 -73.49 -159.45 0.07 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.602 178.346 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 467' ' ' ASP . . . . . 0.564 ' H ' ' CG ' ' A' ' 466' ' ' ASP . 94.5 m-20 -92.42 14.53 16.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.484 -179.528 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 468' ' ' ASN . . . . . 0.437 ' C ' ' N ' ' A' ' 470' ' ' VAL . 0.4 OUTLIER -126.57 28.24 5.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.596 -178.649 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 469' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 46.48 18.12 0.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.634 179.619 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 470' ' ' VAL . . . . . 0.437 ' N ' ' C ' ' A' ' 468' ' ' ASN . 9.9 p -108.87 141.52 23.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.55 179.512 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -71.88 86.46 0.46 Allowed Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 472' ' ' THR . . . . . 0.496 HG22 ' O ' ' A' ' 464' ' ' ALA . 0.1 OUTLIER -46.38 139.04 5.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.814 0.34 . . . . 0.0 110.56 179.639 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 473' ' ' VAL . . . . . . . . . . . . . 79.6 t -85.6 91.82 3.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.536 -179.048 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 2.4 t -75.55 -68.15 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.59 178.455 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 475' ' ' ALA . . . . . 0.437 ' H ' ' HB ' ' A' ' 462' ' ' VAL . . . -151.14 141.7 22.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.534 178.793 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 476' ' ' GLU . . . . . 0.664 ' OE2' ' HB3' ' A' ' 485' ' ' ALA . 79.1 tt0 -129.0 135.91 49.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.639 179.386 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 60.0 p -133.84 115.56 14.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.597 179.619 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 478' ' ' VAL . . . . . 0.517 HG23 ' O ' ' A' ' 478' ' ' VAL . 5.9 m -122.85 126.87 74.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.562 -179.703 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 479' ' ' ALA . . . . . . . . . . . . . . . -57.17 166.78 1.02 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.412 179.404 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 22.2 pt-20 -61.34 144.93 53.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.616 -179.308 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 100.33 -30.97 9.08 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.836 -0.906 . . . . 0.0 110.836 177.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 482' ' ' TRP . . . . . . . . . . . . . 28.5 m95 -97.3 141.4 22.97 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 120.928 0.394 . . . . 0.0 110.619 179.345 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 483' ' ' PRO . . . . . 0.46 ' CG ' ' HZ1' ' A' ' 531' ' ' LYS . 68.8 Cg_endo -74.68 167.56 26.83 Favored 'Trans proline' 0 C--N 1.304 -1.773 0 C-N-CA 122.824 2.349 . . . . 0.0 112.089 -179.347 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -84.22 123.99 30.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.63 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 485' ' ' ALA . . . . . 0.664 ' HB3' ' OE2' ' A' ' 476' ' ' GLU . . . -75.64 -8.79 57.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.568 -179.494 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 486' ' ' ARG . . . . . 0.414 ' N ' ' OE1' ' A' ' 476' ' ' GLU . 26.6 ttm180 -49.95 -34.52 20.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.514 -179.523 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 487' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -65.45 -18.94 65.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.519 179.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 488' ' ' GLN . . . . . 0.496 ' OE1' HD21 ' A' ' 530' ' ' LEU . 88.0 mt-30 -108.23 114.79 28.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.545 179.246 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 489' ' ' VAL . . . . . . . . . . . . . 83.9 t -92.42 113.5 27.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.56 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 44.1 mt -45.16 103.77 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.561 179.556 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -79.63 -31.43 41.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.587 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 492' ' ' ASP . . . . . . . . . . . . . 39.2 t0 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.581 -179.349 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.863 0.363 . . . . 0.0 110.594 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 57.1 ttp180 -54.44 -26.28 29.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.592 -179.705 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 505' ' ' GLN . . . . . 0.411 ' OE1' ' NE ' ' A' ' 507' ' ' ARG . 41.3 tt0 -83.69 -8.98 59.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.585 -179.277 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . 77.57 -7.82 37.95 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 179.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 507' ' ' ARG . . . . . 0.58 ' HG2' ' H ' ' A' ' 508' ' ' ILE . 15.0 ttm180 -50.39 -179.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.778 0.323 . . . . 0.0 110.552 -179.132 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 508' ' ' ILE . . . . . 0.58 ' H ' ' HG2' ' A' ' 507' ' ' ARG . 81.0 mt -120.99 147.63 24.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.561 179.769 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 509' ' ' GLN . . . . . . . . . . . . . 61.9 tp60 -122.28 122.92 40.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.545 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 510' ' ' ALA . . . . . 0.795 ' HB1' ' NE1' ' A' ' 561' ' ' TRP . . . -128.15 100.68 5.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.599 179.325 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 511' ' ' THR . . . . . . . . . . . . . 5.1 m -111.24 104.37 12.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.608 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 512' ' ' THR . . . . . . . . . . . . . 40.1 p -50.51 -20.38 1.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.474 179.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 513' ' ' ASP . . . . . 0.503 ' N ' ' OD1' ' A' ' 513' ' ' ASP . 9.0 p30 -168.48 118.15 0.74 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.57 -179.211 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 514' ' ' ILE . . . . . 0.569 HG22 ' O ' ' A' ' 514' ' ' ILE . 69.7 mt -71.24 -0.61 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.429 178.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 515' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -73.4 -30.19 63.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.484 -178.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 16.1 pttp -99.24 29.54 3.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.542 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -129.01 142.5 50.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.605 -177.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . 42.3 46.4 5.44 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 177.211 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 519' ' ' LEU . . . . . 0.451 HD23 ' N ' ' A' ' 519' ' ' LEU . 3.8 mt -47.48 170.4 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.793 0.33 . . . . 0.0 110.635 178.101 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 520' ' ' THR . . . . . . . . . . . . . 7.4 p 47.1 35.18 3.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.522 178.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 49.0 tt0 -146.32 161.74 39.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.496 179.32 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 522' ' ' CYS . . . . . 0.671 ' O ' ' CG ' ' A' ' 523' ' ' HIS . 0.8 OUTLIER -62.19 125.27 23.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.533 178.655 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 523' ' ' HIS . . . . . 0.671 ' CG ' ' O ' ' A' ' 522' ' ' CYS . 15.7 m170 -170.96 -80.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.665 -178.668 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 524' ' ' LEU . . . . . 0.595 ' O ' ' HB2' ' A' ' 528' ' ' ARG . 0.6 OUTLIER -47.31 -32.9 5.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.568 177.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 525' ' ' ASN . . . . . . . . . . . . . 55.6 t-20 -55.68 -43.58 76.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.654 -178.074 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 526' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -102.07 -8.3 21.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.571 -179.463 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 527' ' ' LEU . . . . . 0.613 ' O ' HG22 ' A' ' 532' ' ' VAL . 14.2 mt -104.34 -29.88 10.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.602 -177.352 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 528' ' ' ARG . . . . . 0.691 ' N ' ' CD ' ' A' ' 529' ' ' PRO . 0.5 OUTLIER -66.84 -41.6 38.32 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.319 -177.474 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 529' ' ' PRO . . . . . 0.691 ' CD ' ' N ' ' A' ' 528' ' ' ARG . 31.2 Cg_exo -57.4 -45.03 37.27 Favored 'Trans proline' 0 C--N 1.304 -1.79 0 C-N-CA 122.905 2.404 . . . . 0.0 112.232 -178.61 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 530' ' ' LEU . . . . . 0.554 ' HB2' HG13 ' A' ' 532' ' ' VAL . 61.2 mt -68.41 -6.84 26.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.635 -179.664 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 531' ' ' LYS . . . . . 0.46 ' HZ1' ' CG ' ' A' ' 483' ' ' PRO . 9.3 mtmt 62.96 27.17 15.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.529 178.065 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 532' ' ' VAL . . . . . 0.708 HG23 ' O ' ' A' ' 532' ' ' VAL . 23.7 m -75.71 106.79 5.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.605 178.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -93.73 -13.51 27.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.374 -179.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 534' ' ' ALA . . . . . 0.648 ' HB2' ' HA ' ' A' ' 558' ' ' PRO . . . -134.31 141.05 46.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.116 -179.426 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 535' ' ' ASN . . . . . 0.401 ' HB2' HD11 ' A' ' 514' ' ' ILE . 26.7 t-20 -128.28 119.11 24.48 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.694 -0.402 . . . . 0.0 111.14 -179.658 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 536' ' ' LEU . . . . . . . . . . . . . 58.7 tp -131.58 128.02 38.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.948 177.442 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 537' ' ' VAL . . . . . 0.76 HG22 HD12 ' A' ' 551' ' ' ILE . 53.2 t -129.17 148.22 33.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.99 0.424 . . . . 0.0 111.211 -177.341 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 538' ' ' VAL . . . . . 0.624 HG23 ' O ' ' A' ' 538' ' ' VAL . 27.1 m -145.42 104.84 4.33 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.055 177.234 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 539' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -74.98 140.71 25.82 Favored 'Trans proline' 0 C--N 1.304 -1.804 0 C-N-CA 122.77 2.313 . . . . 0.0 112.462 -173.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 540' ' ' MET . . . . . . . . . . . . . 9.1 ptm -128.69 92.28 3.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.04 176.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 541' ' ' VAL . . . . . . . . . . . . . 26.3 m . . . . . 0 C--N 1.33 -0.276 0 CA-C-O 121.091 0.472 . . . . 0.0 111.1 -177.824 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 546' ' ' LEU . . . . . . . . . . . . . 12.8 mt . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.837 0.351 . . . . 0.0 110.573 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 547' ' ' PHE . . . . . 0.558 ' CE1' HD23 ' A' ' 580' ' ' LEU . 21.9 t80 -98.65 -63.08 1.16 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.492 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 548' ' ' GLY . . . . . 0.463 ' C ' HD12 ' A' ' 549' ' ' LEU . . . -153.66 173.8 32.32 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 549' ' ' LEU . . . . . 0.463 HD12 ' C ' ' A' ' 548' ' ' GLY . 5.0 mp -144.29 130.26 19.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.8 0.333 . . . . 0.0 110.524 -179.62 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 550' ' ' LEU . . . . . 0.668 ' N ' HD12 ' A' ' 550' ' ' LEU . 7.9 mp -93.62 117.14 29.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.303 179.293 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 551' ' ' ILE . . . . . 0.76 HD12 HG22 ' A' ' 537' ' ' VAL . 2.8 mm -113.78 137.63 46.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.851 -178.107 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -124.38 113.92 18.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.219 178.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 553' ' ' HIS . . . . . 0.482 ' CE1' ' CG2' ' A' ' 551' ' ' ILE . 61.9 m80 -109.19 128.63 55.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.965 0.412 . . . . 0.0 110.783 -179.505 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 554' ' ' GLN . . . . . 0.577 HE22 ' C ' ' A' ' 457' ' ' CYS . 23.5 tp60 -88.71 117.22 27.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.683 175.014 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 555' ' ' ALA . . . . . 0.402 ' H ' ' HB3' ' A' ' 458' ' ' ASP . . . -92.24 -7.11 49.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.397 -176.719 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 556' ' ' SER . . . . . . . . . . . . . 82.6 p -94.16 -31.93 13.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.467 -177.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 173.68 150.76 0.24 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.456 -178.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 558' ' ' PRO . . . . . 0.648 ' HA ' ' HB2' ' A' ' 534' ' ' ALA . 54.2 Cg_endo -70.65 124.07 10.38 Favored 'Trans proline' 0 C--N 1.304 -1.781 0 C-N-CA 122.823 2.349 . . . . 0.0 112.212 179.013 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 559' ' ' ARG . . . . . 0.569 ' NH1' ' SG ' ' A' ' 457' ' ' CYS . 14.3 ptm180 -116.61 139.92 49.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.356 -176.558 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 560' ' ' GLN . . . . . 0.521 ' NE2' ' N ' ' A' ' 561' ' ' TRP . 30.0 tp60 -77.72 116.43 18.25 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.684 176.263 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 561' ' ' TRP . . . . . 0.795 ' NE1' ' HB1' ' A' ' 510' ' ' ALA . 1.1 m95 -59.05 145.38 42.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.344 -177.202 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -91.64 137.86 32.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.758 177.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 563' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -46.4 -42.89 15.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.463 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 564' ' ' ILE . . . . . 0.503 HG22 HE21 ' A' ' 568' ' ' GLN . 5.0 mm -74.59 -35.24 37.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.517 179.653 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -67.13 -36.67 82.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.542 -179.062 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 566' ' ' ILE . . . . . 0.602 HD11 ' HB2' ' A' ' 561' ' ' TRP . 98.7 mt -69.42 -47.71 71.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.636 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -61.19 -45.46 94.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.514 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 568' ' ' GLN . . . . . 0.503 HE21 HG22 ' A' ' 564' ' ' ILE . 47.4 mt-30 -64.89 -42.74 94.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.545 -179.448 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 569' ' ' PHE . . . . . 0.577 ' HB2' HD21 ' A' ' 455' ' ' LEU . 45.9 t80 -64.02 -42.94 96.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.559 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 24.5 t -60.74 -40.12 91.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.568 177.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 88.3 mt-10 -57.1 -40.4 76.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.512 177.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 13.6 tp -59.37 -45.24 91.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.496 178.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . -65.3 -45.76 83.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.46 179.581 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 574' ' ' SER . . . . . . . . . . . . . 86.2 p -62.51 -31.76 72.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.63 179.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 35.2 m -53.37 -55.69 22.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.528 -178.505 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -58.32 -40.08 93.54 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 -179.655 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.87 -36.6 65.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.736 0.303 . . . . 0.0 110.471 -179.076 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 94.2 mt -58.83 -52.89 63.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.577 -178.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 97.7 t -72.53 -46.12 56.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.525 -179.533 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 580' ' ' LEU . . . . . 0.558 HD23 ' CE1' ' A' ' 547' ' ' PHE . 6.0 mp -53.67 -35.63 61.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.541 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -59.47 -54.42 46.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.658 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 582' ' ' ARG . . . . . . . . . . . . . 84.1 mtm-85 -72.07 -38.51 69.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.724 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 27.7 tp -67.09 -49.29 65.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.601 -179.284 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 584' ' ' HIS . . . . . . . . . . . . . 84.2 t60 -50.04 -43.84 51.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.676 -178.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 585' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -78.41 -48.76 14.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.601 -179.064 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 27.9 tp -49.54 -51.88 33.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.669 -179.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 587' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -60.34 -39.32 86.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.607 179.072 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 588' ' ' GLN . . . . . 0.438 HE21 ' CA ' ' A' ' 588' ' ' GLN . 0.2 OUTLIER -64.02 -53.19 53.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.694 -179.339 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 589' ' ' THR . . . . . . . . . . . . . 73.6 p -59.9 -28.88 67.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.633 -178.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 590' ' ' ILE . . . . . . . . . . . . . 26.9 mt . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.605 -179.341 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.756 0.312 . . . . 0.0 110.627 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -58.44 -32.0 68.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.596 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 3.3 mm100 -68.31 -32.34 72.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.657 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -61.18 -54.46 44.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.653 -179.493 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 21.3 pt -61.03 -35.13 63.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.728 -179.444 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 444' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -77.67 -50.99 11.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.73 -179.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -55.96 -23.01 29.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.735 179.178 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 446' ' ' THR . . . . . 0.495 ' O ' ' HB3' ' A' ' 449' ' ' ALA . 51.5 m -72.2 -58.38 3.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.546 -179.635 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 447' ' ' LEU . . . . . 0.404 ' HG ' ' H ' ' A' ' 447' ' ' LEU . 16.5 mt -39.23 -57.62 1.32 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.609 -179.768 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 448' ' ' VAL . . . . . . . . . . . . . 6.3 p -58.01 -37.76 63.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.654 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 449' ' ' ALA . . . . . 0.495 ' HB3' ' O ' ' A' ' 446' ' ' THR . . . -56.54 -44.94 81.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.695 178.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 450' ' ' LYS . . . . . . . . . . . . . 56.0 mttm -71.09 -41.73 70.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.608 177.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . -49.25 -50.33 29.03 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.931 -0.867 . . . . 0.0 110.931 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 452' ' ' ARG . . . . . . . . . . . . . 68.5 ttp85 -56.85 -43.37 81.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.806 0.336 . . . . 0.0 110.627 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 14.6 tm-20 -75.87 -36.37 59.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.627 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 45.6 mt -68.6 -58.7 3.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.569 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 455' ' ' LEU . . . . . 0.569 HD11 ' CD1' ' A' ' 569' ' ' PHE . 96.3 mt -70.84 -25.22 62.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.546 179.407 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . 60.43 43.46 13.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.661 -176.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 4.9 t -91.98 -159.33 0.64 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.428 -179.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 458' ' ' ASP . . . . . 0.422 ' HB3' ' H ' ' A' ' 555' ' ' ALA . 44.7 t0 -115.91 -27.95 6.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.625 -178.423 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 459' ' ' ARG . . . . . . . . . . . . . 6.8 ttp180 -148.9 144.43 26.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.671 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 460' ' ' VAL . . . . . . . . . . . . . 35.4 t -148.51 144.39 18.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.285 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 461' ' ' ILE . . . . . . . . . . . . . 8.3 tt -140.73 144.15 27.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.886 0.374 . . . . 0.0 110.85 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 462' ' ' VAL . . . . . 0.423 ' HB ' ' H ' ' A' ' 475' ' ' ALA . 23.6 t -107.32 131.57 57.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.279 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 463' ' ' TYR . . . . . 0.859 ' CE1' HD11 ' A' ' 551' ' ' ILE . 1.2 p90 -146.42 144.95 30.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.772 -178.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 464' ' ' ALA . . . . . 0.527 ' O ' HG22 ' A' ' 472' ' ' THR . . . -135.4 164.08 28.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.411 179.22 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 465' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -99.27 101.73 13.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.524 -178.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 466' ' ' ASP . . . . . 0.504 ' OD1' HG21 ' A' ' 472' ' ' THR . 70.2 m-20 -73.89 -158.22 0.06 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.517 178.022 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 467' ' ' ASP . . . . . 0.4 ' H ' ' HB3' ' A' ' 466' ' ' ASP . 86.1 m-20 -88.85 16.86 6.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.506 -179.507 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 468' ' ' ASN . . . . . 0.419 ' C ' ' N ' ' A' ' 470' ' ' VAL . 1.2 m-20 -127.44 22.98 6.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.563 -179.067 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 469' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 48.31 18.5 0.16 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.54 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 470' ' ' VAL . . . . . 0.419 ' N ' ' C ' ' A' ' 468' ' ' ASN . 9.6 p -106.12 139.1 28.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.563 179.675 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -73.87 93.35 0.74 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 472' ' ' THR . . . . . 0.527 HG22 ' O ' ' A' ' 464' ' ' ALA . 0.1 OUTLIER -55.97 147.05 20.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.717 0.294 . . . . 0.0 110.647 179.925 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 473' ' ' VAL . . . . . . . . . . . . . 39.6 t -89.73 77.43 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.503 -179.345 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 2.3 t -60.15 -67.32 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.662 178.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 475' ' ' ALA . . . . . 0.423 ' H ' ' HB ' ' A' ' 462' ' ' VAL . . . -150.14 140.23 22.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.526 179.201 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 476' ' ' GLU . . . . . 0.573 ' OE2' ' N ' ' A' ' 485' ' ' ALA . 67.3 tt0 -128.64 136.13 50.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.598 179.715 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 11.6 t -135.44 116.76 14.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.492 179.467 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 478' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 478' ' ' VAL . 12.4 m -122.45 127.08 74.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.581 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 479' ' ' ALA . . . . . . . . . . . . . . . -58.3 166.79 1.54 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.534 179.552 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 480' ' ' GLU . . . . . 0.544 ' H ' ' CD ' ' A' ' 480' ' ' GLU . 46.8 mp0 -61.26 144.59 53.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.555 -179.238 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 100.42 -31.1 8.91 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 177.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 482' ' ' TRP . . . . . . . . . . . . . 16.3 m95 -98.78 138.99 20.77 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 120.902 0.382 . . . . 0.0 110.711 178.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 483' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -74.17 166.61 29.16 Favored 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.824 2.349 . . . . 0.0 112.04 -179.524 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -80.11 116.21 20.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.629 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 485' ' ' ALA . . . . . 0.573 ' N ' ' OE2' ' A' ' 476' ' ' GLU . . . -76.24 -9.96 59.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.565 -179.456 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 486' ' ' ARG . . . . . 0.554 ' N ' ' OE1' ' A' ' 476' ' ' GLU . 13.1 ptm180 -51.91 -25.16 7.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.606 -179.338 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 487' ' ' ASP . . . . . . . . . . . . . 51.1 t0 -70.63 -10.39 59.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.487 -179.518 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 96.2 mm-40 -106.4 113.88 27.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.604 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 489' ' ' VAL . . . . . 0.523 HG22 ' N ' ' A' ' 490' ' ' ILE . 13.8 p -69.03 160.68 4.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.524 179.652 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 490' ' ' ILE . . . . . 0.523 ' N ' HG22 ' A' ' 489' ' ' VAL . 25.2 mm -105.12 92.73 2.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.574 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -80.54 -31.47 37.01 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.589 -177.393 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 492' ' ' ASP . . . . . . . . . . . . . 30.5 t0 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.562 -179.222 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 503' ' ' TYR . . . . . 0.487 ' OH ' ' NE2' ' A' ' 509' ' ' GLN . 52.3 m-85 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.865 0.364 . . . . 0.0 110.596 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 10.5 tpp180 -61.03 -17.86 54.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.653 -179.219 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -104.24 -0.06 28.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.612 -179.254 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . 81.84 36.64 18.44 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.926 -0.869 . . . . 0.0 110.926 179.323 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 507' ' ' ARG . . . . . . . . . . . . . 24.3 ttm180 -75.84 147.82 38.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.806 0.336 . . . . 0.0 110.578 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 7.1 pt -106.5 124.76 62.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.521 179.409 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 509' ' ' GLN . . . . . 0.487 ' NE2' ' OH ' ' A' ' 503' ' ' TYR . 18.9 tt0 -113.6 117.8 32.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.521 -179.089 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 510' ' ' ALA . . . . . 0.733 ' HB1' ' CD1' ' A' ' 561' ' ' TRP . . . -128.35 102.63 6.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.606 178.579 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 511' ' ' THR . . . . . . . . . . . . . 4.7 m -112.49 105.21 13.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.588 -179.432 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 512' ' ' THR . . . . . . . . . . . . . 42.3 p -51.72 -19.94 1.86 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.507 179.136 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 513' ' ' ASP . . . . . 0.526 ' N ' ' OD1' ' A' ' 513' ' ' ASP . 17.9 p-10 -168.65 117.43 0.7 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.502 -179.005 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 514' ' ' ILE . . . . . 0.576 HG22 ' O ' ' A' ' 514' ' ' ILE . 68.7 mt -69.45 0.64 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.506 179.02 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 515' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -75.79 -30.13 58.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.587 -178.335 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 17.9 pttp -97.34 28.18 3.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.576 178.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -131.72 139.33 48.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.519 -177.104 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . 46.33 48.83 15.68 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 176.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 519' ' ' LEU . . . . . 0.409 HD23 ' N ' ' A' ' 519' ' ' LEU . 8.9 mt -58.6 159.81 6.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.785 0.326 . . . . 0.0 110.625 177.572 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 520' ' ' THR . . . . . . . . . . . . . 5.1 p 60.89 26.99 16.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.602 179.232 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -144.84 165.6 27.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.534 179.203 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 522' ' ' CYS . . . . . 0.687 ' O ' ' CG ' ' A' ' 523' ' ' HIS . 1.6 p -58.77 122.07 12.64 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.451 178.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 523' ' ' HIS . . . . . 0.687 ' CG ' ' O ' ' A' ' 522' ' ' CYS . 11.6 m170 -173.44 -81.41 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.639 -178.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 524' ' ' LEU . . . . . 0.53 ' O ' ' N ' ' A' ' 528' ' ' ARG . 0.7 OUTLIER -50.29 -34.79 24.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.683 178.711 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 525' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -58.1 -42.97 86.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.702 -178.196 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 526' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -98.25 -8.25 27.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.59 -178.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 527' ' ' LEU . . . . . 0.512 HD13 HG21 ' A' ' 514' ' ' ILE . 16.0 mt -106.01 -24.54 12.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.603 -178.179 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 528' ' ' ARG . . . . . 0.707 ' N ' ' CD ' ' A' ' 529' ' ' PRO . 14.4 tpt180 -66.2 -39.75 30.59 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.325 -177.745 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 529' ' ' PRO . . . . . 0.707 ' CD ' ' N ' ' A' ' 528' ' ' ARG . 34.9 Cg_exo -60.61 -45.45 21.4 Favored 'Trans proline' 0 C--N 1.305 -1.716 0 C-N-CA 122.875 2.383 . . . . 0.0 112.259 -178.22 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 530' ' ' LEU . . . . . 0.55 ' HB2' HG13 ' A' ' 532' ' ' VAL . 53.2 mt -68.22 -7.01 26.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.638 -178.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 22.7 mtmt 60.6 26.76 16.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.523 178.519 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 532' ' ' VAL . . . . . 0.672 HG23 ' O ' ' A' ' 532' ' ' VAL . 31.1 m -75.53 109.27 8.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.602 179.203 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 533' ' ' ARG . . . . . 0.543 ' NH1' ' O ' ' A' ' 555' ' ' ALA . 70.6 mtt85 -96.04 -16.39 21.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.448 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 534' ' ' ALA . . . . . 0.66 ' HB2' ' HA ' ' A' ' 558' ' ' PRO . . . -129.63 138.27 51.14 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.101 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 535' ' ' ASN . . . . . 0.406 ' HB2' HD11 ' A' ' 514' ' ' ILE . 39.6 t30 -128.19 118.16 22.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.9 0.381 . . . . 0.0 111.247 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 536' ' ' LEU . . . . . . . . . . . . . 43.0 tp -130.86 128.08 39.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.932 177.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 537' ' ' VAL . . . . . 0.423 HG22 HG23 ' A' ' 551' ' ' ILE . 59.1 t -130.5 148.21 33.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.973 0.416 . . . . 0.0 111.23 -177.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 538' ' ' VAL . . . . . . . . . . . . . 33.1 m -141.06 130.76 12.96 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.085 178.333 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 539' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -72.78 137.32 26.95 Favored 'Trans proline' 0 C--N 1.304 -1.768 0 C-N-CA 122.807 2.338 . . . . 0.0 112.483 -175.318 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 540' ' ' MET . . . . . 0.499 ' SD ' ' O ' ' A' ' 573' ' ' ALA . 4.6 ttp -126.8 118.92 25.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.103 176.729 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 541' ' ' VAL . . . . . . . . . . . . . 8.6 t . . . . . 0 C--N 1.329 -0.319 0 CA-C-O 121.023 0.44 . . . . 0.0 111.088 -176.024 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 546' ' ' LEU . . . . . . . . . . . . . 34.5 tp . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.758 0.313 . . . . 0.0 110.584 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 547' ' ' PHE . . . . . . . . . . . . . 73.9 t80 -112.68 -59.34 2.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.523 -179.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 548' ' ' GLY . . . . . 0.469 ' C ' HD12 ' A' ' 549' ' ' LEU . . . -172.61 -178.22 42.55 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 -179.233 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 549' ' ' LEU . . . . . 0.475 ' C ' HD12 ' A' ' 550' ' ' LEU . 5.1 mp -142.17 141.27 32.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.762 0.315 . . . . 0.0 110.585 -179.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 550' ' ' LEU . . . . . 0.617 ' N ' HD12 ' A' ' 550' ' ' LEU . 7.6 mp -95.05 125.96 40.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.331 179.245 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 551' ' ' ILE . . . . . 0.859 HD11 ' CE1' ' A' ' 463' ' ' TYR . 5.2 mt -117.53 139.81 43.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.926 0.393 . . . . 0.0 110.879 -179.256 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -124.39 114.25 19.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.192 178.386 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 553' ' ' HIS . . . . . 0.537 ' CE1' ' CG2' ' A' ' 551' ' ' ILE . 51.4 m80 -109.65 127.63 54.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.968 0.413 . . . . 0.0 110.791 179.699 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 554' ' ' GLN . . . . . 0.628 ' H ' ' HB3' ' A' ' 534' ' ' ALA . 30.2 tt0 -88.63 117.8 27.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.667 175.063 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 555' ' ' ALA . . . . . 0.543 ' O ' ' NH1' ' A' ' 533' ' ' ARG . . . -90.75 -6.32 54.56 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.514 -176.569 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 556' ' ' SER . . . . . . . . . . . . . 41.4 t -96.01 -32.59 12.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.508 -177.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 557' ' ' GLU . . . . . 0.451 ' O ' ' CD ' ' A' ' 554' ' ' GLN . 4.1 pt-20 174.62 149.71 0.25 Allowed Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.404 -178.507 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 558' ' ' PRO . . . . . 0.66 ' HA ' ' HB2' ' A' ' 534' ' ' ALA . 55.8 Cg_endo -71.49 125.7 11.48 Favored 'Trans proline' 0 C--N 1.305 -1.735 0 C-N-CA 122.748 2.299 . . . . 0.0 112.225 179.276 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 559' ' ' ARG . . . . . 0.509 ' NH1' ' O ' ' A' ' 455' ' ' LEU . 15.5 ptm180 -117.12 141.02 48.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.348 -177.008 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 560' ' ' GLN . . . . . 0.438 ' NE2' ' N ' ' A' ' 561' ' ' TRP . 35.2 tp60 -78.2 116.92 19.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.644 176.046 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 561' ' ' TRP . . . . . 0.733 ' CD1' ' HB1' ' A' ' 510' ' ' ALA . 0.9 OUTLIER -59.49 144.62 46.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.367 -177.073 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.13 138.5 31.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.771 177.696 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 563' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -46.76 -41.79 15.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.516 -179.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 564' ' ' ILE . . . . . 0.477 HG22 ' NE2' ' A' ' 568' ' ' GLN . 6.6 mm -73.08 -34.87 46.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.5 179.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -66.42 -36.82 83.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.636 -179.271 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 566' ' ' ILE . . . . . 0.56 HD11 ' CB ' ' A' ' 561' ' ' TRP . 45.7 mm -66.54 -48.84 79.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.597 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -61.69 -46.86 87.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.543 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 568' ' ' GLN . . . . . 0.477 ' NE2' HG22 ' A' ' 564' ' ' ILE . 46.9 mt-30 -63.68 -43.53 96.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.481 -179.386 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 569' ' ' PHE . . . . . 0.569 ' CD1' HD11 ' A' ' 455' ' ' LEU . 40.6 t80 -65.87 -43.96 86.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.52 -179.628 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 34.7 m -59.54 -36.23 75.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.435 177.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 86.9 mt-10 -62.61 -39.74 94.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.481 177.496 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 14.3 tp -58.12 -44.95 88.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.507 178.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 573' ' ' ALA . . . . . 0.499 ' O ' ' SD ' ' A' ' 540' ' ' MET . . . -66.01 -44.24 85.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.39 179.496 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 574' ' ' SER . . . . . . . . . . . . . 23.2 t -61.87 -33.76 74.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.529 179.376 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 48.7 m -53.87 -54.58 36.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.544 -178.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -51.45 -36.78 39.01 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 179.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 2.5 m -58.85 -33.32 70.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.787 0.327 . . . . 0.0 110.547 179.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 31.9 mt -62.88 -54.93 31.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.623 -178.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 579' ' ' VAL . . . . . 0.469 HG13 ' N ' ' A' ' 580' ' ' LEU . 7.3 p -74.11 -41.08 51.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.521 -178.677 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 580' ' ' LEU . . . . . 0.469 ' N ' HG13 ' A' ' 579' ' ' VAL . 58.6 mt -57.74 -36.49 72.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.51 -179.635 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 581' ' ' GLU . . . . . 0.403 ' OE1' ' N ' ' A' ' 582' ' ' ARG . 14.3 tm-20 -59.93 -51.14 70.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.684 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 582' ' ' ARG . . . . . 0.403 ' N ' ' OE1' ' A' ' 581' ' ' GLU . 60.7 mtm180 -75.28 -36.59 61.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.644 -179.522 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 24.3 tp -72.34 -53.04 13.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.625 -179.151 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 584' ' ' HIS . . . . . 0.558 ' O ' ' NE2' ' A' ' 588' ' ' GLN . 83.4 t60 -49.59 -39.36 35.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.668 -179.268 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 585' ' ' PHE . . . . . 0.445 ' O ' HG23 ' A' ' 589' ' ' THR . 11.5 m-85 -79.6 -50.07 11.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.587 -179.448 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 35.1 tp -53.13 -49.38 66.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.653 -179.185 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 587' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -60.43 -43.22 96.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.678 179.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 588' ' ' GLN . . . . . 0.647 ' N ' HE21 ' A' ' 588' ' ' GLN . 0.0 OUTLIER -67.63 -50.16 59.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.647 -179.056 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 589' ' ' THR . . . . . 0.445 HG23 ' O ' ' A' ' 585' ' ' PHE . 66.2 p -59.66 -30.16 68.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.652 -178.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 590' ' ' ILE . . . . . . . . . . . . . 15.0 mt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.586 -179.434 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 429' ' ' MET . . . . . . . . . . . . . 72.9 mtm . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 430' ' ' ALA . . . . . 0.435 ' O ' ' O ' ' A' ' 431' ' ' ALA . . . -167.08 22.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.564 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . 0.435 ' O ' ' O ' ' A' ' 430' ' ' ALA . . . 58.21 119.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.566 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . 0.435 HG13 ' N ' ' A' ' 433' ' ' GLN . 7.7 p -51.8 -37.14 20.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.53 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 433' ' ' GLN . . . . . 0.435 ' N ' HG13 ' A' ' 432' ' ' VAL . 8.2 tp-100 -55.46 -40.34 71.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.579 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 434' ' ' LEU . . . . . 0.634 HD23 ' O ' ' A' ' 434' ' ' LEU . 1.5 tt -63.2 -46.45 86.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.623 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 22.6 m -62.66 -38.59 90.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.525 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 436' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -79.94 8.27 7.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.525 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 437' ' ' LEU . . . . . . . . . . . . . 34.1 tp -67.97 107.44 2.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.623 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 74.6 mtt85 -148.83 14.92 0.94 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.51 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 59.3 t0 -74.75 130.23 39.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.558 -179.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 65.8 ttt180 -55.67 -30.71 61.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.561 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 2.5 mm100 -70.31 -31.99 69.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.694 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -56.63 -55.18 37.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.595 -179.424 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 20.7 pt -59.75 -32.32 49.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.663 -179.04 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 444' ' ' PHE . . . . . 0.457 ' CD1' HG11 ' A' ' 474' ' ' VAL . 7.7 m-85 -78.22 -50.34 12.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.658 -179.564 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -55.77 -23.2 28.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.64 179.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 446' ' ' THR . . . . . 0.485 ' O ' ' HB3' ' A' ' 449' ' ' ALA . 74.2 m -73.17 -58.92 2.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.68 -179.47 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 447' ' ' LEU . . . . . 0.461 ' HG ' ' H ' ' A' ' 447' ' ' LEU . 16.9 mt -39.81 -57.61 1.53 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.694 -179.291 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 448' ' ' VAL . . . . . 0.417 HG13 ' N ' ' A' ' 449' ' ' ALA . 7.5 p -57.68 -38.44 64.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.648 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 449' ' ' ALA . . . . . 0.485 ' HB3' ' O ' ' A' ' 446' ' ' THR . . . -56.11 -44.69 79.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.687 178.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 450' ' ' LYS . . . . . . . . . . . . . 49.0 mttm -71.92 -40.9 68.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.603 178.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . -49.2 -50.29 28.85 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 452' ' ' ARG . . . . . . . . . . . . . 66.0 ttp85 -57.51 -42.97 83.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.784 0.326 . . . . 0.0 110.631 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 39.9 tp10 -75.74 -36.49 59.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.633 -179.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 44.2 mt -68.92 -58.97 3.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.65 -179.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 455' ' ' LEU . . . . . 0.554 HD11 ' CD1' ' A' ' 569' ' ' PHE . 96.4 mt -70.02 -25.43 63.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.54 179.485 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . 60.88 42.35 13.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.648 -176.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 457' ' ' CYS . . . . . 0.549 ' SG ' ' NH1' ' A' ' 559' ' ' ARG . 97.0 m -91.29 -159.16 0.61 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.542 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 458' ' ' ASP . . . . . 0.445 ' OD2' ' OG ' ' A' ' 556' ' ' SER . 64.3 m-20 -116.01 -27.47 6.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.638 -178.569 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 459' ' ' ARG . . . . . 0.42 ' O ' ' O ' ' A' ' 553' ' ' HIS . 6.8 ttp180 -148.54 142.4 25.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.771 179.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 460' ' ' VAL . . . . . . . . . . . . . 60.7 t -147.91 144.48 19.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.334 -179.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 461' ' ' ILE . . . . . . . . . . . . . 13.5 pt -142.39 150.27 18.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.867 0.365 . . . . 0.0 110.849 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 462' ' ' VAL . . . . . . . . . . . . . 47.8 t -110.5 133.11 57.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.35 179.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 463' ' ' TYR . . . . . 0.889 ' CE1' HD11 ' A' ' 551' ' ' ILE . 0.9 OUTLIER -146.23 143.52 29.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.753 -178.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 464' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 472' ' ' THR . . . -135.73 164.81 27.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.388 178.633 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 465' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -104.3 103.69 13.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.611 -179.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 466' ' ' ASP . . . . . 0.566 ' CG ' ' H ' ' A' ' 467' ' ' ASP . 31.5 t0 -72.25 -156.96 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.598 178.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 467' ' ' ASP . . . . . 0.566 ' H ' ' CG ' ' A' ' 466' ' ' ASP . 84.4 m-20 -85.19 18.03 2.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.529 -179.756 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 468' ' ' ASN . . . . . . . . . . . . . 10.0 m-20 -127.25 7.67 6.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.605 -178.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 469' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 61.42 18.1 9.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.562 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 470' ' ' VAL . . . . . . . . . . . . . 89.7 t -103.4 137.96 29.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.613 179.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -62.23 97.72 0.17 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 472' ' ' THR . . . . . 0.449 ' N ' ' O ' ' A' ' 464' ' ' ALA . 50.8 m -56.62 132.43 51.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.791 0.329 . . . . 0.0 110.673 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 473' ' ' VAL . . . . . 0.441 HG22 ' H ' ' A' ' 473' ' ' VAL . 5.1 m -79.54 70.7 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.565 -179.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 474' ' ' VAL . . . . . 0.457 HG11 ' CD1' ' A' ' 444' ' ' PHE . 2.4 t -59.53 -66.78 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.632 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -154.56 146.01 23.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.585 179.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 476' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -124.91 131.76 53.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.605 179.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 12.2 t -133.06 115.33 14.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.529 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 478' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 478' ' ' VAL . 8.9 m -125.07 128.94 73.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.638 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 479' ' ' ALA . . . . . . . . . . . . . . . -57.28 166.64 1.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.551 179.601 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -60.89 143.2 55.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.518 -179.249 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 100.85 -29.94 11.38 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.921 -0.871 . . . . 0.0 110.921 178.009 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 482' ' ' TRP . . . . . . . . . . . . . 10.4 m95 -100.88 142.33 24.41 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 120.877 0.37 . . . . 0.0 110.669 178.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 483' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -74.06 166.0 30.67 Favored 'Trans proline' 0 C--N 1.304 -1.807 0 C-N-CA 122.856 2.371 . . . . 0.0 112.078 -179.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -78.86 118.64 21.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.627 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -76.56 -9.94 59.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.496 -179.056 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 486' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -53.36 -23.86 10.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.581 -179.058 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 487' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -71.36 -10.25 59.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.542 -179.303 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 488' ' ' GLN . . . . . 0.74 ' NE2' HD21 ' A' ' 530' ' ' LEU . 23.4 mt-30 -108.59 115.23 29.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.526 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 489' ' ' VAL . . . . . . . . . . . . . 61.9 t -92.32 112.82 26.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.529 179.254 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 490' ' ' ILE . . . . . 0.581 HD13 H911 ' A' ' 600' ' ' PVN . 65.0 mt -46.32 105.02 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.544 -179.432 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -79.42 -33.66 42.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.561 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 492' ' ' ASP . . . . . 0.589 ' OD2' H322 ' A' ' 600' ' ' PVN . 39.5 t0 -71.21 116.49 47.46 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.591 -179.65 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 493' ' ' PRO . . . . . 0.506 ' C ' ' H ' ' A' ' 495' ' ' PHE . 85.7 Cg_endo -82.29 -27.02 2.48 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.959 2.439 . . . . 0.0 112.167 179.34 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 494' ' ' CYS . . . . . . . . . . . . . 8.1 t 60.79 -0.83 0.27 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.547 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 495' ' ' PHE . . . . . 0.506 ' H ' ' C ' ' A' ' 493' ' ' PRO . 66.5 t80 -59.14 -36.83 75.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.611 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 74.5 mtt85 -51.11 151.17 2.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.673 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 497' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 55.69 -172.8 0.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.548 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 498' ' ' HIS . . . . . 0.522 ' H ' ' CD2' ' A' ' 498' ' ' HIS . 5.8 p80 -80.03 132.03 35.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.589 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 499' ' ' TRP . . . . . 0.498 ' CZ2' ' OH ' ' A' ' 503' ' ' TYR . 4.8 t90 -171.25 -52.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.578 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 500' ' ' VAL . . . . . 0.431 HG23 ' N ' ' A' ' 501' ' ' GLU . 23.1 m -57.46 -36.86 54.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.578 179.579 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 501' ' ' GLU . . . . . 0.431 ' N ' HG23 ' A' ' 500' ' ' VAL . 96.9 mt-10 -63.92 -32.49 74.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.514 179.752 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 502' ' ' ALA . . . . . 0.428 ' O ' ' CG ' ' A' ' 505' ' ' GLN . . . -54.89 -46.97 74.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.564 -179.696 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 503' ' ' TYR . . . . . 0.498 ' OH ' ' CZ2' ' A' ' 499' ' ' TRP . 51.1 m-85 -76.99 -25.99 53.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.573 179.239 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 49.9 ttt85 -60.65 -17.8 49.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.544 -179.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 505' ' ' GLN . . . . . 0.428 ' CG ' ' O ' ' A' ' 502' ' ' ALA . 12.7 pt20 -107.24 -0.68 22.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.582 -178.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . 81.92 37.75 15.3 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.941 -0.863 . . . . 0.0 110.941 179.161 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 507' ' ' ARG . . . . . . . . . . . . . 24.2 ttm180 -72.17 146.03 47.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.815 0.341 . . . . 0.0 110.59 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 69.3 mt -108.1 124.83 64.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.497 179.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 509' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -114.39 119.8 38.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.561 -178.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 510' ' ' ALA . . . . . 0.814 ' HB1' ' CD1' ' A' ' 561' ' ' TRP . . . -128.93 101.45 6.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.664 178.376 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 511' ' ' THR . . . . . . . . . . . . . 4.4 m -111.18 105.12 13.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.581 -179.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 512' ' ' THR . . . . . . . . . . . . . 41.4 p -52.41 -20.28 2.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.508 179.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 513' ' ' ASP . . . . . 0.423 ' O ' ' OD1' ' A' ' 513' ' ' ASP . 12.1 p30 -169.0 116.86 0.65 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.48 -178.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 514' ' ' ILE . . . . . 0.609 HG22 ' O ' ' A' ' 514' ' ' ILE . 84.6 mt -68.06 -0.38 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.552 179.045 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 515' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -74.8 -30.77 61.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.529 -179.151 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 85.0 mttt -95.2 28.42 2.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.562 179.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -133.85 139.63 46.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.479 -177.035 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . 46.53 48.86 16.6 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 176.601 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 519' ' ' LEU . . . . . 0.42 ' O ' ' OG1' ' A' ' 520' ' ' THR . 7.5 mt -59.96 159.83 8.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.814 0.34 . . . . 0.0 110.627 177.473 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 520' ' ' THR . . . . . 0.42 ' OG1' ' O ' ' A' ' 519' ' ' LEU . 5.6 p 60.58 26.66 16.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.562 179.197 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -144.91 165.9 26.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.468 179.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 522' ' ' CYS . . . . . 0.707 ' O ' ' CG ' ' A' ' 523' ' ' HIS . 0.8 OUTLIER -59.23 120.39 9.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.494 178.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 523' ' ' HIS . . . . . 0.707 ' CG ' ' O ' ' A' ' 522' ' ' CYS . 16.1 m170 -172.81 -81.22 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.665 -178.3 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 524' ' ' LEU . . . . . 0.576 ' O ' ' HB2' ' A' ' 528' ' ' ARG . 0.8 OUTLIER -50.51 -37.45 39.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.777 178.731 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 525' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 -57.15 -43.25 82.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.676 -177.004 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 526' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -96.46 -7.78 33.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.541 -178.149 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 527' ' ' LEU . . . . . 0.52 HD13 HG21 ' A' ' 514' ' ' ILE . 14.3 mt -105.09 -19.22 13.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.58 -178.331 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 528' ' ' ARG . . . . . 0.619 ' N ' ' CD ' ' A' ' 529' ' ' PRO . 0.6 OUTLIER -66.75 -46.11 55.95 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.301 -178.583 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 529' ' ' PRO . . . . . 0.619 ' CD ' ' N ' ' A' ' 528' ' ' ARG . 45.7 Cg_exo -53.99 -47.08 29.04 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.821 2.348 . . . . 0.0 112.193 -176.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 530' ' ' LEU . . . . . 0.74 HD21 ' NE2' ' A' ' 488' ' ' GLN . 87.6 mt -67.47 -7.88 29.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.673 -178.067 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 28.7 mtmt 60.84 27.44 17.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.538 178.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 532' ' ' VAL . . . . . 0.683 HG23 ' O ' ' A' ' 532' ' ' VAL . 25.7 m -75.82 108.78 8.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.633 179.209 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -94.93 -16.45 22.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.371 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 534' ' ' ALA . . . . . 0.65 ' HB2' ' HA ' ' A' ' 558' ' ' PRO . . . -130.93 139.18 50.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.106 -179.668 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -128.13 119.55 25.53 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.675 -0.41 . . . . 0.0 111.17 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 536' ' ' LEU . . . . . . . . . . . . . 58.8 tp -133.11 128.31 35.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.89 177.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 537' ' ' VAL . . . . . 0.427 HG22 HG23 ' A' ' 551' ' ' ILE . 58.6 t -130.05 147.67 33.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.059 0.457 . . . . 0.0 111.111 -177.775 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 538' ' ' VAL . . . . . . . . . . . . . 28.8 m -140.25 132.21 14.47 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.064 178.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 539' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -71.97 134.66 23.9 Favored 'Trans proline' 0 C--N 1.304 -1.801 0 C-N-CA 122.756 2.304 . . . . 0.0 112.5 -175.215 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 540' ' ' MET . . . . . 0.53 ' SD ' ' O ' ' A' ' 573' ' ' ALA . 7.8 ttt -130.15 117.08 19.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.105 176.664 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 541' ' ' VAL . . . . . . . . . . . . . 23.3 m -122.95 156.57 28.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.962 0.41 . . . . 0.0 111.142 -175.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 59.9 mt -127.36 129.46 70.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.158 178.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 543' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 43.37 49.48 6.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.26 -179.199 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 544' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 60.19 40.43 18.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.43 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 545' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -141.41 150.22 42.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.6 179.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 546' ' ' LEU . . . . . 0.402 HD12 ' HA ' ' A' ' 546' ' ' LEU . 25.3 tp -81.65 126.17 31.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.579 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 547' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -113.9 -53.49 2.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.56 -179.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 548' ' ' GLY . . . . . 0.448 ' C ' HD12 ' A' ' 549' ' ' LEU . . . -173.52 -178.03 43.18 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.152 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 549' ' ' LEU . . . . . 0.466 ' C ' HD12 ' A' ' 550' ' ' LEU . 4.9 mp -142.69 142.57 32.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.892 0.377 . . . . 0.0 110.548 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 550' ' ' LEU . . . . . 0.605 ' N ' HD12 ' A' ' 550' ' ' LEU . 7.7 mp -95.33 126.35 40.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.283 179.542 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 551' ' ' ILE . . . . . 0.889 HD11 ' CE1' ' A' ' 463' ' ' TYR . 4.5 mt -118.66 140.89 40.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.869 -179.144 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -124.53 114.08 18.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.229 178.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 553' ' ' HIS . . . . . 0.535 ' CE1' ' CG2' ' A' ' 551' ' ' ILE . 54.5 m80 -109.71 129.18 55.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.804 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 554' ' ' GLN . . . . . 0.59 ' H ' ' HB3' ' A' ' 534' ' ' ALA . 39.3 tt0 -91.88 117.11 29.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.668 174.54 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -91.25 -3.78 56.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.483 -175.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 556' ' ' SER . . . . . 0.445 ' OG ' ' OD2' ' A' ' 458' ' ' ASP . 1.5 m -97.86 -30.96 12.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.568 -178.39 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 557' ' ' GLU . . . . . 0.446 ' O ' ' CD ' ' A' ' 554' ' ' GLN . 4.7 pt-20 174.63 150.25 0.26 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.366 -178.564 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 558' ' ' PRO . . . . . 0.65 ' HA ' ' HB2' ' A' ' 534' ' ' ALA . 57.2 Cg_endo -72.5 125.84 11.02 Favored 'Trans proline' 0 C--N 1.305 -1.749 0 C-N-CA 122.785 2.323 . . . . 0.0 112.278 178.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 559' ' ' ARG . . . . . 0.549 ' NH1' ' SG ' ' A' ' 457' ' ' CYS . 16.8 ptm180 -116.22 140.77 48.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.325 -177.159 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 560' ' ' GLN . . . . . . . . . . . . . 43.2 tp60 -78.57 117.08 19.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.605 176.245 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 561' ' ' TRP . . . . . 0.814 ' CD1' ' HB1' ' A' ' 510' ' ' ALA . 1.0 OUTLIER -59.74 147.75 36.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.341 -177.068 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -94.07 139.27 31.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.801 177.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 563' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -47.8 -42.89 27.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.536 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 564' ' ' ILE . . . . . . . . . . . . . 5.8 mm -74.55 -35.56 38.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.529 179.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 88.2 mt-10 -66.03 -35.87 81.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.579 -178.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 566' ' ' ILE . . . . . . . . . . . . . 96.6 mt -67.67 -48.31 76.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.597 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 58.2 t0 -61.16 -46.23 91.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.588 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 568' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -62.18 -44.12 97.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.526 -179.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 569' ' ' PHE . . . . . 0.554 ' CD1' HD11 ' A' ' 455' ' ' LEU . 38.9 t80 -65.65 -42.32 91.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.502 -179.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 91.3 p -60.45 -32.89 71.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.556 177.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 62.4 mm-40 -66.02 -40.25 90.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.498 177.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 14.7 tp -57.87 -43.77 86.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.485 178.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 573' ' ' ALA . . . . . 0.53 ' O ' ' SD ' ' A' ' 540' ' ' MET . . . -66.7 -45.21 79.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.446 179.481 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 574' ' ' SER . . . . . . . . . . . . . 28.5 m -58.54 -32.1 68.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.538 179.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 24.0 m -61.74 -46.19 90.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.591 -179.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -48.09 -38.13 17.66 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 179.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 19.4 m -58.51 -38.62 78.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.794 0.33 . . . . 0.0 110.516 178.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 57.5 mt -55.66 -50.64 69.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.594 178.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 86.4 t -68.89 -52.67 32.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.545 -178.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 580' ' ' LEU . . . . . 0.493 ' O ' ' N ' ' A' ' 584' ' ' HIS . 95.6 mt -54.13 -43.5 70.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.491 -179.169 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -55.52 -40.53 71.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.706 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 582' ' ' ARG . . . . . . . . . . . . . 68.4 mtm180 -74.3 -50.98 16.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.665 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 583' ' ' LEU . . . . . 0.47 ' N ' HD12 ' A' ' 583' ' ' LEU . 10.8 mp -68.37 -52.68 30.43 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.652 -179.37 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 584' ' ' HIS . . . . . 0.561 ' O ' ' NE2' ' A' ' 588' ' ' GLN . 83.4 t60 -46.87 -38.65 10.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.654 -179.08 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 585' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -81.96 -52.82 6.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.574 -179.245 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 39.7 mt -61.34 -44.71 96.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.712 -178.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 587' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -59.07 -46.86 87.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.618 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 588' ' ' GLN . . . . . 0.66 ' NE2' ' N ' ' A' ' 588' ' ' GLN . 0.3 OUTLIER -68.29 -46.9 69.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.733 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 589' ' ' THR . . . . . . . . . . . . . 53.1 m -58.44 -34.58 70.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.645 -178.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 590' ' ' ILE . . . . . . . . . . . . . 12.4 mt -57.1 -46.13 84.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.537 -179.185 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -61.3 -37.51 83.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.554 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 24.7 t -67.78 -16.1 63.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.532 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 30.8 tp . . . . . 0 C--O 1.219 -0.515 0 CA-C-O 118.028 -0.986 . . . . 0.0 110.651 -179.831 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 600' ' ' PVN . . . . . 0.589 H322 ' OD2' ' A' ' 492' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 429' ' ' MET . . . . . . . . . . . . . 85.6 mmm . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 430' ' ' ALA . . . . . . . . . . . . . . . -65.9 -18.75 65.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.516 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -50.23 171.77 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.575 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . 0.458 ' O ' HG22 ' A' ' 432' ' ' VAL . 12.7 p -94.82 -8.76 9.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.529 -179.521 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -50.38 -39.5 46.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.536 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 48.6 mt -60.57 -35.88 77.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.567 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 15.7 m -59.64 -33.2 71.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.584 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 436' ' ' GLU . . . . . . . . . . . . . 22.8 tp10 -73.23 0.71 11.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.594 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 437' ' ' LEU . . . . . . . . . . . . . 37.7 mt -101.63 110.87 22.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.573 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 50.1 ttt85 -174.48 70.94 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.541 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 439' ' ' ASP . . . . . 0.491 ' CG ' ' H ' ' A' ' 440' ' ' ARG . 42.3 t0 -163.47 -174.92 3.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.654 -179.729 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 440' ' ' ARG . . . . . 0.491 ' H ' ' CG ' ' A' ' 439' ' ' ASP . 46.3 ttp180 -54.86 -32.65 60.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.562 -179.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 2.2 mm100 -69.83 -34.5 73.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.692 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -56.77 -55.22 37.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.656 -179.389 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 23.7 pt -59.21 -30.73 44.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.628 -178.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 444' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -79.58 -50.4 10.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.698 -179.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -55.94 -24.23 36.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.683 179.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 446' ' ' THR . . . . . 0.482 ' O ' ' HB3' ' A' ' 449' ' ' ALA . 91.1 m -72.86 -59.26 2.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.658 -179.224 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 447' ' ' LEU . . . . . 0.461 ' HG ' ' H ' ' A' ' 447' ' ' LEU . 16.4 mt -38.65 -56.59 1.3 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.568 -179.61 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 448' ' ' VAL . . . . . . . . . . . . . 4.4 p -58.09 -37.56 62.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.666 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 449' ' ' ALA . . . . . 0.482 ' HB3' ' O ' ' A' ' 446' ' ' THR . . . -57.28 -46.18 83.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.608 179.357 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 450' ' ' LYS . . . . . . . . . . . . . 50.1 mttm -70.96 -42.62 69.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.644 179.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . -48.34 -48.61 27.01 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 452' ' ' ARG . . . . . . . . . . . . . 70.4 ttp85 -57.75 -43.71 85.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.79 0.329 . . . . 0.0 110.607 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -74.63 -38.05 62.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.63 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 37.8 mt -67.59 -58.04 5.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.643 -179.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 455' ' ' LEU . . . . . 0.588 HD11 ' CD1' ' A' ' 569' ' ' PHE . 94.5 mt -70.19 -25.44 63.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.555 179.266 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . 61.06 42.72 12.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.637 -177.092 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 457' ' ' CYS . . . . . 0.59 ' SG ' ' NH1' ' A' ' 559' ' ' ARG . 98.7 m -91.47 -158.91 0.6 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.463 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -118.04 -27.15 6.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.631 -178.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 459' ' ' ARG . . . . . 0.627 HH11 HG12 ' A' ' 478' ' ' VAL . 12.7 ttp85 -147.99 142.24 26.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.768 179.778 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 460' ' ' VAL . . . . . . . . . . . . . 86.6 t -149.0 145.54 17.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.335 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 461' ' ' ILE . . . . . . . . . . . . . 13.1 pt -143.31 150.87 17.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.919 0.39 . . . . 0.0 110.792 -179.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 462' ' ' VAL . . . . . . . . . . . . . 55.9 t -109.93 131.07 61.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.366 177.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 463' ' ' TYR . . . . . 0.656 ' CD1' HD11 ' A' ' 551' ' ' ILE . 0.0 OUTLIER -144.5 144.61 31.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.638 -177.435 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 464' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 472' ' ' THR . . . -139.54 167.17 22.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.325 177.412 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 465' ' ' PHE . . . . . 0.524 ' CD2' ' O ' ' A' ' 465' ' ' PHE . 19.2 p90 -102.62 105.69 16.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.577 -179.292 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 466' ' ' ASP . . . . . 0.545 ' CG ' ' H ' ' A' ' 467' ' ' ASP . 31.3 t0 -71.58 -159.81 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.544 178.76 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 467' ' ' ASP . . . . . 0.545 ' H ' ' CG ' ' A' ' 466' ' ' ASP . 87.4 m-20 -89.19 15.33 9.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.579 -179.77 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 468' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -125.96 13.07 7.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.643 -179.178 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 469' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 59.6 17.31 6.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.546 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 470' ' ' VAL . . . . . . . . . . . . . 75.2 t -102.02 135.66 37.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.584 179.48 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -57.17 99.7 0.1 Allowed Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 472' ' ' THR . . . . . 0.443 ' N ' ' O ' ' A' ' 464' ' ' ALA . 20.3 m -55.4 132.18 47.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.827 0.346 . . . . 0.0 110.582 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 473' ' ' VAL . . . . . . . . . . . . . 42.5 t -86.8 77.93 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.544 -179.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 474' ' ' VAL . . . . . 0.45 HG23 ' H ' ' A' ' 474' ' ' VAL . 1.6 t -68.87 -68.33 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.671 179.698 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -153.33 144.55 23.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.536 179.12 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 476' ' ' GLU . . . . . 0.455 ' OE2' ' HB3' ' A' ' 485' ' ' ALA . 2.3 tp10 -125.08 131.68 53.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.595 179.186 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 10.0 t -132.73 115.51 15.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.512 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 478' ' ' VAL . . . . . 0.627 HG12 HH11 ' A' ' 459' ' ' ARG . 4.3 m -124.79 128.43 73.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.573 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 479' ' ' ALA . . . . . . . . . . . . . . . -57.07 166.98 0.92 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.513 179.364 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -60.73 142.89 55.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.573 -179.375 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 100.86 -29.7 11.9 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 177.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 482' ' ' TRP . . . . . . . . . . . . . 11.7 m95 -100.39 144.61 28.79 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 120.944 0.402 . . . . 0.0 110.664 178.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 483' ' ' PRO . . . . . 0.41 ' CD ' ' NZ ' ' A' ' 531' ' ' LYS . 63.9 Cg_endo -74.4 166.59 29.1 Favored 'Trans proline' 0 C--N 1.304 -1.767 0 C-N-CA 122.779 2.319 . . . . 0.0 112.039 -179.524 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -78.89 118.72 21.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.568 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 485' ' ' ALA . . . . . 0.455 ' HB3' ' OE2' ' A' ' 476' ' ' GLU . . . -75.64 -10.77 59.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.533 -179.303 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 486' ' ' ARG . . . . . . . . . . . . . 57.4 ttt180 -53.02 -33.02 49.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.561 -179.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 487' ' ' ASP . . . . . . . . . . . . . 55.6 t0 -68.3 -14.16 62.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.507 -179.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 488' ' ' GLN . . . . . 0.406 ' OE1' HD21 ' A' ' 530' ' ' LEU . 75.9 mt-30 -106.32 116.47 31.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.497 179.753 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 489' ' ' VAL . . . . . . . . . . . . . 91.1 t -99.54 117.58 44.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.443 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 11.3 mm -48.67 110.22 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.602 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -78.91 -27.91 43.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.554 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 492' ' ' ASP . . . . . 0.576 ' CG ' H322 ' A' ' 600' ' ' PVN . 17.7 t0 -60.09 112.89 6.1 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.523 -179.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 493' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -82.01 147.42 14.88 Favored 'Trans proline' 0 C--N 1.304 -1.774 0 C-N-CA 122.919 2.413 . . . . 0.0 112.23 -179.546 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 494' ' ' CYS . . . . . . . . . . . . . 56.7 m -87.47 115.03 24.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.554 179.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 495' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -84.44 136.36 33.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.661 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 71.1 mtp85 -81.54 16.98 1.51 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.665 -179.571 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 497' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -59.41 -40.45 86.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.572 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 498' ' ' HIS . . . . . . . . . . . . . 46.9 t-80 -177.55 -30.59 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.559 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 499' ' ' TRP . . . . . 0.689 ' CE2' H511 ' A' ' 600' ' ' PVN . 50.9 m95 -53.45 -49.13 68.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.545 -179.175 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 500' ' ' VAL . . . . . . . . . . . . . 98.6 t -59.66 -40.77 83.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.643 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.62 -31.13 72.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.584 179.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 502' ' ' ALA . . . . . 0.433 ' O ' ' CG ' ' A' ' 505' ' ' GLN . . . -54.63 -45.1 73.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.577 -179.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 503' ' ' TYR . . . . . 0.525 ' CD1' ' CD2' ' A' ' 549' ' ' LEU . 86.0 m-85 -78.37 -25.97 46.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.562 179.003 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 68.6 ttt180 -62.13 -15.91 48.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.639 -179.157 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 505' ' ' GLN . . . . . 0.433 ' CG ' ' O ' ' A' ' 502' ' ' ALA . 15.3 pt20 -107.14 -1.43 21.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.673 -178.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . 84.67 37.47 10.49 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.27 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 507' ' ' ARG . . . . . . . . . . . . . 72.4 ttt180 -73.95 145.47 44.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.809 0.338 . . . . 0.0 110.513 179.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 66.1 mt -106.84 123.65 62.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.575 179.399 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 509' ' ' GLN . . . . . . . . . . . . . 61.4 tp60 -113.28 118.5 34.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.546 -179.119 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 510' ' ' ALA . . . . . 0.847 ' HB1' ' CD1' ' A' ' 561' ' ' TRP . . . -128.17 101.11 6.12 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.62 178.288 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 511' ' ' THR . . . . . . . . . . . . . 4.7 m -110.46 103.2 11.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.542 -179.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 512' ' ' THR . . . . . . . . . . . . . 6.8 m -51.0 -19.64 1.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.533 179.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 513' ' ' ASP . . . . . 0.541 ' OD1' ' NZ ' ' A' ' 516' ' ' LYS . 8.3 p30 -169.29 118.2 0.66 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.51 -179.419 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 514' ' ' ILE . . . . . 0.606 HG22 ' O ' ' A' ' 514' ' ' ILE . 79.7 mt -70.54 -0.11 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.566 178.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 515' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -74.98 -31.16 61.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.552 -178.395 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 516' ' ' LYS . . . . . 0.541 ' NZ ' ' OD1' ' A' ' 513' ' ' ASP . 10.8 pttm -97.23 29.08 3.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.559 179.326 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -131.67 142.36 49.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.532 -177.205 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . 43.41 47.46 6.99 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 176.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 519' ' ' LEU . . . . . . . . . . . . . 10.3 mt -54.76 167.12 0.4 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.722 0.296 . . . . 0.0 110.615 177.227 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 520' ' ' THR . . . . . . . . . . . . . 2.1 m 52.76 30.99 9.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.563 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 521' ' ' GLU . . . . . 0.406 ' HG2' ' N ' ' A' ' 522' ' ' CYS . 63.2 tt0 -146.2 163.0 36.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.489 179.459 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 522' ' ' CYS . . . . . 0.677 ' O ' ' CG ' ' A' ' 523' ' ' HIS . 0.9 OUTLIER -60.3 123.53 17.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.541 178.716 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 523' ' ' HIS . . . . . 0.677 ' CG ' ' O ' ' A' ' 522' ' ' CYS . 13.3 m170 -172.21 -80.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.68 -178.591 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 524' ' ' LEU . . . . . 0.638 ' O ' ' HB2' ' A' ' 528' ' ' ARG . 0.7 OUTLIER -48.9 -34.34 12.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.75 178.412 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 525' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -56.7 -40.99 76.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.702 -178.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 526' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -101.97 -7.94 21.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.539 -179.151 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 527' ' ' LEU . . . . . 0.644 ' O ' HG22 ' A' ' 532' ' ' VAL . 15.0 mt -106.62 -28.33 10.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.53 -177.32 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 528' ' ' ARG . . . . . 0.694 ' N ' ' CD ' ' A' ' 529' ' ' PRO . 0.0 OUTLIER -66.93 -41.12 34.43 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.316 -177.791 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 529' ' ' PRO . . . . . 0.694 ' CD ' ' N ' ' A' ' 528' ' ' ARG . 31.2 Cg_exo -58.0 -44.96 35.25 Favored 'Trans proline' 0 C--N 1.306 -1.71 0 C-N-CA 123.0 2.466 . . . . 0.0 112.161 -178.792 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 530' ' ' LEU . . . . . 0.526 ' HB2' HG13 ' A' ' 532' ' ' VAL . 80.1 mt -68.18 -4.97 15.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.615 -179.754 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 531' ' ' LYS . . . . . 0.41 ' NZ ' ' CD ' ' A' ' 483' ' ' PRO . 26.6 mtmt 60.83 26.84 16.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.508 178.397 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 532' ' ' VAL . . . . . 0.697 HG23 ' O ' ' A' ' 532' ' ' VAL . 27.0 m -75.53 107.74 6.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.615 178.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 80.9 mtp180 -94.12 -14.9 25.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.365 -179.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 534' ' ' ALA . . . . . 0.67 ' HB2' ' HA ' ' A' ' 558' ' ' PRO . . . -133.81 141.51 47.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.152 -179.689 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 535' ' ' ASN . . . . . 0.72 HD21 H713 ' A' ' 600' ' ' PVN . 7.2 t30 -128.95 120.32 25.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.922 0.391 . . . . 0.0 111.163 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 536' ' ' LEU . . . . . 0.402 ' HB2' ' CZ3' ' A' ' 561' ' ' TRP . 63.2 tp -131.75 127.92 37.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.949 -0.568 . . . . 0.0 109.939 177.683 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 68.8 t -130.86 147.55 33.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.954 0.407 . . . . 0.0 111.213 -178.161 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 538' ' ' VAL . . . . . . . . . . . . . 31.0 m -140.07 133.71 15.35 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.069 178.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 539' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -72.34 135.38 24.49 Favored 'Trans proline' 0 C--N 1.304 -1.781 0 C-N-CA 122.752 2.301 . . . . 0.0 112.455 -175.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 540' ' ' MET . . . . . 0.516 ' SD ' ' O ' ' A' ' 573' ' ' ALA . 4.6 ttp -127.9 119.77 26.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.109 177.014 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 541' ' ' VAL . . . . . . . . . . . . . 18.6 m -123.06 149.25 26.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.029 0.442 . . . . 0.0 111.076 -176.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 542' ' ' ILE . . . . . 0.717 ' O ' ' OD1' ' A' ' 543' ' ' ASP . 63.2 mt -118.12 130.67 72.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.137 178.548 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 543' ' ' ASP . . . . . 0.717 ' OD1' ' O ' ' A' ' 542' ' ' ILE . 14.4 p30 39.6 39.56 0.53 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.896 0.379 . . . . 0.0 110.316 -179.556 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 544' ' ' ASP . . . . . 0.541 ' N ' ' OD1' ' A' ' 544' ' ' ASP . 0.4 OUTLIER 74.38 42.2 0.33 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.432 179.935 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 545' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' A' ' 542' ' ' ILE . 63.4 tt0 -149.01 123.51 9.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.575 179.702 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 546' ' ' LEU . . . . . 0.423 HD23 ' CZ ' ' A' ' 465' ' ' PHE . 15.6 tp -62.95 126.46 27.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.574 179.79 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 547' ' ' PHE . . . . . . . . . . . . . 60.5 t80 -112.4 -45.83 3.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.504 -178.441 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -172.62 -179.65 43.54 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.838 -0.905 . . . . 0.0 110.838 -178.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 549' ' ' LEU . . . . . 0.525 ' CD2' ' CD1' ' A' ' 503' ' ' TYR . 2.6 mp -138.43 143.01 39.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.868 0.366 . . . . 0.0 110.543 -179.287 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -92.47 121.26 33.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.346 178.38 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 551' ' ' ILE . . . . . 0.768 HD13 H811 ' A' ' 600' ' ' PVN . 3.7 mt -112.72 135.15 53.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.911 -178.542 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -124.75 115.12 20.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.216 178.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 553' ' ' HIS . . . . . 0.539 ' CE1' ' CG2' ' A' ' 551' ' ' ILE . 42.3 m80 -110.52 129.21 55.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.791 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 554' ' ' GLN . . . . . 0.524 ' H ' ' HB3' ' A' ' 534' ' ' ALA . 43.5 tt0 -90.24 113.61 25.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.683 174.327 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -87.74 -5.2 58.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.44 -175.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 556' ' ' SER . . . . . . . . . . . . . 9.1 t -95.56 -31.61 13.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.522 -177.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 557' ' ' GLU . . . . . 0.452 ' O ' ' CD ' ' A' ' 554' ' ' GLN . 4.1 pt-20 174.3 151.17 0.26 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.33 -178.655 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 558' ' ' PRO . . . . . 0.67 ' HA ' ' HB2' ' A' ' 534' ' ' ALA . 55.9 Cg_endo -72.37 125.53 10.82 Favored 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 122.762 2.308 . . . . 0.0 112.212 178.749 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 559' ' ' ARG . . . . . 0.59 ' NH1' ' SG ' ' A' ' 457' ' ' CYS . 16.8 ptm180 -116.84 140.28 49.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.348 -177.287 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 560' ' ' GLN . . . . . . . . . . . . . 38.9 tp60 -77.51 116.45 18.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.626 176.066 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 561' ' ' TRP . . . . . 0.847 ' CD1' ' HB1' ' A' ' 510' ' ' ALA . 1.1 m95 -57.83 148.27 25.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.379 -176.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -95.61 139.06 32.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.843 178.119 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 563' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -46.94 -43.63 19.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.526 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 564' ' ' ILE . . . . . 0.478 HG22 ' NE2' ' A' ' 568' ' ' GLN . 1.1 mt -74.73 -35.04 35.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.56 -179.801 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -66.45 -36.1 81.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.564 -179.079 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 566' ' ' ILE . . . . . 0.403 HD11 ' HB2' ' A' ' 561' ' ' TRP . 96.8 mt -68.14 -49.24 69.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.56 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -62.29 -47.43 84.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.635 -179.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 568' ' ' GLN . . . . . 0.478 ' NE2' HG22 ' A' ' 564' ' ' ILE . 89.1 mt-30 -63.05 -44.32 96.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.541 -179.219 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 569' ' ' PHE . . . . . 0.588 ' CD1' HD11 ' A' ' 455' ' ' LEU . 54.4 t80 -63.13 -42.0 99.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.518 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 22.5 t -60.45 -39.37 87.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.44 178.236 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -58.1 -40.5 81.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.455 178.066 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 14.9 tp -58.16 -45.13 87.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.467 178.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 573' ' ' ALA . . . . . 0.516 ' O ' ' SD ' ' A' ' 540' ' ' MET . . . -65.07 -45.6 84.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.482 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 574' ' ' SER . . . . . . . . . . . . . 21.2 m -60.41 -32.21 71.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.548 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 30.1 m -57.47 -51.73 68.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.527 -178.617 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -51.34 -37.67 39.86 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.555 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 15.6 p -59.95 -33.87 72.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.79 0.328 . . . . 0.0 110.576 179.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 45.3 mt -59.12 -52.45 65.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.593 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 89.5 t -69.84 -45.39 77.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.525 -179.245 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 580' ' ' LEU . . . . . 0.49 ' O ' ' N ' ' A' ' 584' ' ' HIS . 34.7 mt -58.05 -38.0 75.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.503 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -53.44 -52.01 60.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.704 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 582' ' ' ARG . . . . . 0.417 ' O ' ' CB ' ' A' ' 586' ' ' LEU . 78.4 mtp180 -78.72 -40.69 32.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.705 -179.432 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 19.2 tp -67.72 -55.75 11.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.606 -179.173 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 584' ' ' HIS . . . . . 0.49 ' N ' ' O ' ' A' ' 580' ' ' LEU . 79.7 t60 -49.25 -43.71 43.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.581 -179.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 585' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -78.99 -49.68 12.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.648 -179.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 586' ' ' LEU . . . . . 0.417 ' CB ' ' O ' ' A' ' 582' ' ' ARG . 31.9 tp -51.54 -50.17 60.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.648 -179.667 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 587' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -59.2 -39.36 82.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.665 179.182 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 588' ' ' GLN . . . . . 0.537 HE21 ' CA ' ' A' ' 588' ' ' GLN . 0.0 OUTLIER -66.82 -50.57 62.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.65 -179.904 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 589' ' ' THR . . . . . . . . . . . . . 68.9 p -58.14 -30.98 66.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.609 -179.102 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 590' ' ' ILE . . . . . . . . . . . . . 3.1 mm -57.65 -45.32 86.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.609 -179.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -58.24 -46.69 85.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.522 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 20.0 m -67.13 -28.89 68.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.539 179.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 36.8 tp . . . . . 0 C--O 1.22 -0.497 0 CA-C-O 118.023 -0.989 . . . . 0.0 110.502 179.967 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 600' ' ' PVN . . . . . 0.768 H811 HD13 ' A' ' 551' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 429' ' ' MET . . . . . . . . . . . . . 73.4 mtm . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 430' ' ' ALA . . . . . 0.437 ' O ' ' O ' ' A' ' 431' ' ' ALA . . . -63.96 145.54 55.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.556 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . 0.437 ' O ' ' O ' ' A' ' 430' ' ' ALA . . . 59.95 133.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.589 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . 0.531 HG12 ' N ' ' A' ' 433' ' ' GLN . 46.0 t -112.4 161.32 11.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.601 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 433' ' ' GLN . . . . . 0.531 ' N ' HG12 ' A' ' 432' ' ' VAL . 35.3 tt0 71.97 -47.61 0.67 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.53 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 43.8 tp -53.47 -47.98 69.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.546 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 40.5 m -73.98 -37.02 64.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.63 179.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 436' ' ' GLU . . . . . . . . . . . . . 51.4 mp0 -84.51 12.97 6.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.603 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 437' ' ' LEU . . . . . . . . . . . . . 13.4 tp -63.33 109.29 1.53 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.549 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 78.9 mtm180 -148.14 14.82 1.03 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.611 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -79.14 125.39 29.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.576 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 69.9 ttt180 -55.62 -30.57 61.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.569 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 2.2 mm100 -70.0 -35.23 74.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.66 -179.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -56.26 -55.68 30.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.606 -179.106 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 24.3 pt -57.69 -29.66 35.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.776 -179.027 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 444' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -80.57 -48.41 12.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.716 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -56.61 -25.57 53.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.767 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 446' ' ' THR . . . . . 0.481 ' O ' ' HB3' ' A' ' 449' ' ' ALA . 58.0 m -71.61 -59.84 2.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.628 -179.242 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 16.0 mt -38.97 -56.78 1.35 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.626 -179.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 448' ' ' VAL . . . . . . . . . . . . . 5.8 p -59.12 -37.49 68.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.7 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 449' ' ' ALA . . . . . 0.481 ' HB3' ' O ' ' A' ' 446' ' ' THR . . . -56.15 -45.43 79.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.669 179.399 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 450' ' ' LYS . . . . . . . . . . . . . 53.1 mttm -70.95 -41.42 71.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.582 178.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . -49.2 -49.47 30.81 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 452' ' ' ARG . . . . . . . . . . . . . 59.6 ttp180 -57.39 -43.24 83.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.734 0.302 . . . . 0.0 110.561 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -76.25 -37.26 57.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.64 -179.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 41.7 mt -68.02 -58.35 4.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.578 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 455' ' ' LEU . . . . . 0.561 HD11 ' CD1' ' A' ' 569' ' ' PHE . 88.7 mt -70.32 -25.39 63.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.495 179.373 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . 60.66 42.47 13.75 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.656 -176.501 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 457' ' ' CYS . . . . . 0.546 ' SG ' ' CG2' ' A' ' 460' ' ' VAL . 1.8 p -90.48 -160.45 0.7 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.461 -179.751 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 458' ' ' ASP . . . . . 0.62 ' CG ' HE21 ' A' ' 554' ' ' GLN . 73.6 m-20 -115.62 -28.32 6.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.545 -178.17 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 459' ' ' ARG . . . . . . . . . . . . . 7.5 ttp180 -148.14 142.91 26.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.777 179.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 460' ' ' VAL . . . . . 0.546 ' CG2' ' SG ' ' A' ' 457' ' ' CYS . 55.9 t -148.38 144.86 18.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.324 -179.759 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 461' ' ' ILE . . . . . . . . . . . . . 13.9 pt -142.8 151.66 17.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.891 0.377 . . . . 0.0 110.866 -179.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 462' ' ' VAL . . . . . . . . . . . . . 38.3 t -109.58 130.19 63.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.368 178.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 463' ' ' TYR . . . . . 0.434 ' OH ' ' CZ ' ' A' ' 465' ' ' PHE . 0.1 OUTLIER -148.64 145.33 27.7 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.684 -178.865 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 464' ' ' ALA . . . . . 0.406 ' O ' HG22 ' A' ' 472' ' ' THR . . . -139.1 169.66 17.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.344 179.011 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 465' ' ' PHE . . . . . 0.434 ' CZ ' ' OH ' ' A' ' 463' ' ' TYR . 62.6 m-85 -100.14 103.25 14.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.579 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 466' ' ' ASP . . . . . 0.545 ' CG ' ' H ' ' A' ' 467' ' ' ASP . 31.1 t0 -70.84 -160.51 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.551 178.629 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 467' ' ' ASP . . . . . 0.545 ' H ' ' CG ' ' A' ' 466' ' ' ASP . 89.9 m-20 -89.47 14.56 11.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.586 -179.733 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 468' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -125.79 12.95 7.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.608 -179.093 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 469' ' ' TYR . . . . . 0.488 ' CD1' ' O ' ' A' ' 494' ' ' CYS . 47.0 m-85 60.26 17.61 7.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.619 -179.654 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 470' ' ' VAL . . . . . . . . . . . . . 76.4 t -104.36 137.47 33.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.631 179.249 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -67.93 91.03 0.22 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.866 -0.894 . . . . 0.0 110.866 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 472' ' ' THR . . . . . 0.406 HG22 ' O ' ' A' ' 464' ' ' ALA . 0.2 OUTLIER -54.25 134.78 44.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.782 0.325 . . . . 0.0 110.628 179.758 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 473' ' ' VAL . . . . . 0.449 ' H ' HG22 ' A' ' 473' ' ' VAL . 3.3 m -83.08 76.61 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.529 -178.656 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 2.8 t -59.7 -67.1 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.564 178.34 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -151.17 141.92 22.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.581 179.079 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 476' ' ' GLU . . . . . 0.61 ' OE2' ' HB3' ' A' ' 485' ' ' ALA . 2.3 tp10 -123.76 129.97 51.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.554 179.504 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 477' ' ' SER . . . . . 0.45 ' O ' ' O ' ' A' ' 460' ' ' VAL . 9.1 t -132.08 114.68 14.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.488 -179.793 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 478' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 478' ' ' VAL . 8.9 m -125.72 129.05 72.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.589 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 479' ' ' ALA . . . . . . . . . . . . . . . -56.41 166.41 0.88 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.57 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -60.67 143.32 54.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.598 -179.063 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 100.72 -29.86 11.52 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.809 -0.916 . . . . 0.0 110.809 177.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 482' ' ' TRP . . . . . . . . . . . . . 19.1 m95 -99.57 142.79 25.25 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 120.973 0.416 . . . . 0.0 110.613 179.225 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 483' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -72.54 166.67 29.17 Favored 'Trans proline' 0 C--N 1.304 -1.766 0 C-N-CA 122.884 2.389 . . . . 0.0 112.085 -179.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -80.12 120.46 24.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.558 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 485' ' ' ALA . . . . . 0.61 ' HB3' ' OE2' ' A' ' 476' ' ' GLU . . . -76.21 -11.46 59.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.521 -179.741 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 486' ' ' ARG . . . . . . . . . . . . . 49.5 ttt85 -54.94 -33.3 62.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.571 -179.37 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 487' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -67.98 -13.15 61.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.485 -179.333 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 488' ' ' GLN . . . . . 0.616 ' OE1' HD21 ' A' ' 530' ' ' LEU . 77.5 mt-30 -106.01 116.0 31.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.554 179.752 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 489' ' ' VAL . . . . . . . . . . . . . 93.7 t -101.95 121.09 52.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.537 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 490' ' ' ILE . . . . . 0.467 HG13 H912 ' A' ' 600' ' ' PVN . 9.6 mm -47.54 108.75 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.606 -179.656 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -79.28 -23.49 43.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.587 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 492' ' ' ASP . . . . . 0.51 ' OD2' H5C2 ' A' ' 600' ' ' PVN . 15.5 t0 -59.79 113.39 7.09 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.57 -179.588 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 493' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -82.53 135.44 8.08 Favored 'Trans proline' 0 C--N 1.305 -1.724 0 C-N-CA 122.845 2.363 . . . . 0.0 112.198 179.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 494' ' ' CYS . . . . . 0.488 ' O ' ' CD1' ' A' ' 469' ' ' TYR . 2.1 m -89.43 122.28 32.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.515 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 495' ' ' PHE . . . . . 0.527 ' O ' ' N ' ' A' ' 497' ' ' GLU . 97.8 m-85 -85.61 17.87 3.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.623 179.722 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 496' ' ' ARG . . . . . 0.541 ' O ' ' N ' ' A' ' 498' ' ' HIS . 58.0 ttt180 62.55 -70.42 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.557 -179.788 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 497' ' ' GLU . . . . . 0.527 ' N ' ' O ' ' A' ' 495' ' ' PHE . 79.5 mm-40 40.7 -91.45 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.499 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 498' ' ' HIS . . . . . 0.541 ' N ' ' O ' ' A' ' 496' ' ' ARG . 71.6 m80 -147.71 -12.46 0.39 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.554 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 499' ' ' TRP . . . . . 0.637 ' CD2' H512 ' A' ' 600' ' ' PVN . 58.8 t-105 -59.29 -47.47 85.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.578 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 500' ' ' VAL . . . . . . . . . . . . . 73.1 t -60.13 -45.06 96.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.523 179.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -70.12 -24.88 63.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.577 179.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 502' ' ' ALA . . . . . 0.45 ' HB3' ' O ' ' A' ' 499' ' ' TRP . . . -53.59 -52.3 60.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.555 -179.74 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 503' ' ' TYR . . . . . 0.425 ' CG ' ' CD2' ' A' ' 549' ' ' LEU . 56.1 m-85 -69.38 -34.74 74.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.485 179.449 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 54.2 ttp180 -62.55 -13.94 36.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.568 -179.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -99.16 1.41 44.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.667 -179.496 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . 83.21 35.18 18.62 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 507' ' ' ARG . . . . . . . . . . . . . 23.6 ttm180 -78.3 134.94 37.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.749 0.309 . . . . 0.0 110.598 179.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 7.4 pt -105.53 123.68 60.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.496 179.089 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 509' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -117.59 119.97 36.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.575 -178.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 510' ' ' ALA . . . . . 0.765 ' HB1' ' CD1' ' A' ' 561' ' ' TRP . . . -127.24 100.08 5.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.579 178.053 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 511' ' ' THR . . . . . . . . . . . . . 3.9 m -110.7 103.5 12.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.531 -179.309 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 512' ' ' THR . . . . . . . . . . . . . 6.2 m -51.31 -19.59 1.34 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.52 179.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 513' ' ' ASP . . . . . 0.489 ' OD1' ' NZ ' ' A' ' 516' ' ' LYS . 18.2 p30 -169.86 117.24 0.57 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.544 -179.114 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 514' ' ' ILE . . . . . 0.784 HG23 H621 ' A' ' 600' ' ' PVN . 96.6 mt -69.72 0.66 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.582 179.055 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 515' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -74.49 -31.7 62.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.516 -178.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 516' ' ' LYS . . . . . 0.489 ' NZ ' ' OD1' ' A' ' 513' ' ' ASP . 9.4 pttm -97.87 29.33 3.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.509 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -130.8 141.66 50.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.489 -177.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 518' ' ' GLY . . . . . 0.412 ' O ' ' O ' ' A' ' 519' ' ' LEU . . . 42.55 44.28 5.22 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.901 -0.879 . . . . 0.0 110.901 177.352 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 519' ' ' LEU . . . . . 0.468 HD23 ' N ' ' A' ' 519' ' ' LEU . 2.2 mt -44.47 171.4 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.7 0.286 . . . . 0.0 110.701 178.417 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 520' ' ' THR . . . . . . . . . . . . . 30.0 p 46.52 37.34 4.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.524 178.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 46.5 tt0 -146.5 162.29 38.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.428 179.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 522' ' ' CYS . . . . . 0.707 ' O ' ' CG ' ' A' ' 523' ' ' HIS . 0.8 OUTLIER -61.14 125.43 23.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.497 178.159 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 523' ' ' HIS . . . . . 0.707 ' CG ' ' O ' ' A' ' 522' ' ' CYS . 12.8 m170 -173.72 -80.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.623 -178.58 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 524' ' ' LEU . . . . . 0.526 ' O ' ' N ' ' A' ' 528' ' ' ARG . 0.5 OUTLIER -50.47 -35.89 31.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.721 178.526 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 525' ' ' ASN . . . . . . . . . . . . . 53.9 t-20 -57.78 -42.96 85.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.685 -177.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 526' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -98.85 -8.7 25.35 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.607 -178.19 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 75.6 mt -106.93 -21.85 12.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.601 -177.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 528' ' ' ARG . . . . . 0.702 ' N ' ' CD ' ' A' ' 529' ' ' PRO . 0.7 OUTLIER -70.31 -40.68 12.26 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.203 -178.166 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 529' ' ' PRO . . . . . 0.702 ' CD ' ' N ' ' A' ' 528' ' ' ARG . 33.3 Cg_exo -57.72 -45.82 30.79 Favored 'Trans proline' 0 C--N 1.305 -1.735 0 C-N-CA 122.961 2.44 . . . . 0.0 112.196 -178.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 530' ' ' LEU . . . . . 0.616 HD21 ' OE1' ' A' ' 488' ' ' GLN . 85.7 mt -75.07 3.63 8.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.64 179.563 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 3.4 mtmm 59.8 26.05 15.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.584 179.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 532' ' ' VAL . . . . . . . . . . . . . 56.0 t -73.99 104.97 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.588 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -106.45 -15.87 14.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.377 179.035 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 534' ' ' ALA . . . . . 0.685 ' HB2' ' HA ' ' A' ' 558' ' ' PRO . . . -124.63 135.22 52.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.095 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 535' ' ' ASN . . . . . 0.92 HD21 H713 ' A' ' 600' ' ' PVN . 29.7 t30 -127.21 117.4 22.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.903 0.382 . . . . 0.0 111.206 -179.317 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 536' ' ' LEU . . . . . . . . . . . . . 64.3 tp -130.17 126.54 37.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.966 176.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 537' ' ' VAL . . . . . 0.774 HG22 HD12 ' A' ' 551' ' ' ILE . 52.8 t -129.2 146.21 34.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.053 0.454 . . . . 0.0 111.189 -177.165 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 538' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 538' ' ' VAL . 34.5 m -140.62 129.91 13.11 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.03 178.104 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 539' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -72.47 133.26 20.41 Favored 'Trans proline' 0 C--N 1.304 -1.787 0 C-N-CA 122.74 2.293 . . . . 0.0 112.524 -174.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 540' ' ' MET . . . . . 0.546 ' SD ' ' O ' ' A' ' 573' ' ' ALA . 6.4 ttt -127.62 118.15 23.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.061 176.286 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 541' ' ' VAL . . . . . . . . . . . . . 17.1 m -124.22 157.38 31.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.985 0.422 . . . . 0.0 111.143 -175.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 542' ' ' ILE . . . . . 0.45 HD12 ' CG ' ' A' ' 547' ' ' PHE . 76.7 mt -129.36 129.7 67.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.069 178.507 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 543' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 44.79 50.21 8.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.873 0.368 . . . . 0.0 110.264 -179.07 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 544' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 59.66 41.84 18.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.358 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 545' ' ' GLN . . . . . 0.418 ' O ' ' N ' ' A' ' 542' ' ' ILE . 63.2 tp60 -148.08 145.87 28.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.577 179.048 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 546' ' ' LEU . . . . . . . . . . . . . 27.4 tp -79.68 128.1 33.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.562 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 547' ' ' PHE . . . . . 0.45 ' CG ' HD12 ' A' ' 542' ' ' ILE . 13.2 t80 -114.53 -47.48 2.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.507 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 548' ' ' GLY . . . . . 0.402 ' C ' HD12 ' A' ' 549' ' ' LEU . . . -167.0 179.82 40.51 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 -179.783 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 549' ' ' LEU . . . . . 0.464 ' N ' HD12 ' A' ' 549' ' ' LEU . 4.2 mp -142.64 139.55 31.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.796 0.332 . . . . 0.0 110.569 -179.748 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 550' ' ' LEU . . . . . 0.627 ' N ' HD12 ' A' ' 550' ' ' LEU . 9.0 mp -95.25 118.38 31.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.332 179.43 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 551' ' ' ILE . . . . . 0.774 HD12 HG22 ' A' ' 537' ' ' VAL . 3.3 mm -115.4 138.54 45.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.004 -178.65 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -124.72 114.11 18.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.116 178.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 553' ' ' HIS . . . . . 0.503 ' CE1' ' CG2' ' A' ' 551' ' ' ILE . 55.5 m80 -110.01 130.88 55.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.87 -179.729 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 554' ' ' GLN . . . . . 0.659 ' H ' ' HB3' ' A' ' 534' ' ' ALA . 13.9 tp60 -88.95 115.78 26.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.676 174.239 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -91.24 -7.4 51.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.456 -176.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 556' ' ' SER . . . . . 0.466 ' HG ' ' CG ' ' A' ' 458' ' ' ASP . 3.1 m -95.16 -30.03 14.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.54 -177.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 173.35 148.42 0.22 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.413 -178.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 558' ' ' PRO . . . . . 0.685 ' HA ' ' HB2' ' A' ' 534' ' ' ALA . 41.5 Cg_endo -68.37 126.27 14.02 Favored 'Trans proline' 0 C--N 1.305 -1.747 0 C-N-CA 122.834 2.356 . . . . 0.0 112.208 178.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -119.7 141.69 49.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.347 -176.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 560' ' ' GLN . . . . . 0.435 ' O ' ' OE1' ' A' ' 562' ' ' GLN . 56.2 tp60 -79.38 118.89 21.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.665 176.303 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 561' ' ' TRP . . . . . 0.765 ' CD1' ' HB1' ' A' ' 510' ' ' ALA . 0.9 OUTLIER -60.87 144.74 52.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.275 -177.034 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 562' ' ' GLN . . . . . 0.453 ' OE1' ' N ' ' A' ' 562' ' ' GLN . 0.2 OUTLIER -90.69 137.93 31.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.871 177.215 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 563' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -45.98 -42.73 13.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.584 -178.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 564' ' ' ILE . . . . . 0.424 HG13 ' H ' ' A' ' 564' ' ' ILE . 0.0 OUTLIER -71.09 -35.21 57.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.524 -179.567 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 565' ' ' GLU . . . . . 0.6 ' N ' ' OE1' ' A' ' 565' ' ' GLU . 3.1 mp0 -65.96 -38.09 87.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.556 -179.009 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 566' ' ' ILE . . . . . . . . . . . . . 81.6 mt -64.93 -49.1 81.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.642 -179.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -64.98 -49.63 69.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.653 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 568' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -61.53 -46.29 90.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.524 -178.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 569' ' ' PHE . . . . . 0.561 ' CD1' HD11 ' A' ' 455' ' ' LEU . 47.2 t80 -62.84 -41.56 99.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.505 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 23.1 t -60.41 -40.22 90.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.534 177.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -58.39 -40.51 82.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.538 177.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 15.0 tp -57.93 -42.58 85.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.443 178.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 573' ' ' ALA . . . . . 0.546 ' O ' ' SD ' ' A' ' 540' ' ' MET . . . -66.19 -44.8 82.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.473 179.518 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 574' ' ' SER . . . . . . . . . . . . . 19.6 m -58.46 -31.26 67.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.537 179.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 17.5 m -64.55 -43.6 93.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.514 -179.59 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -48.68 -38.58 22.39 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 178.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 34.5 m -58.53 -40.06 81.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.799 0.333 . . . . 0.0 110.536 178.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 59.9 mt -54.35 -45.0 72.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.645 178.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 93.1 t -74.93 -51.15 22.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.466 -178.631 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 580' ' ' LEU . . . . . 0.568 ' O ' ' N ' ' A' ' 584' ' ' HIS . 95.5 mt -61.61 -43.51 98.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.499 -178.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -51.87 -52.01 52.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.683 -179.298 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 582' ' ' ARG . . . . . . . . . . . . . 84.0 mtt-85 -76.98 -41.91 41.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.695 -179.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 29.3 tp -70.34 -60.7 2.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.681 -179.219 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 584' ' ' HIS . . . . . 0.568 ' N ' ' O ' ' A' ' 580' ' ' LEU . 63.9 t60 -47.13 -41.87 18.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.612 -178.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 585' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -77.15 -51.04 11.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.687 -179.262 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 28.9 tp -51.77 -49.82 61.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.617 -179.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 587' ' ' GLU . . . . . 0.422 ' HA ' HD12 ' A' ' 590' ' ' ILE . 97.1 mt-10 -55.89 -38.54 70.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.621 179.057 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 588' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -66.67 -43.94 83.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.683 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 589' ' ' THR . . . . . . . . . . . . . 68.3 p -59.42 -33.29 71.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.598 -179.112 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 590' ' ' ILE . . . . . 0.422 HD12 ' HA ' ' A' ' 587' ' ' GLU . 75.7 mt -54.69 -49.86 64.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.585 -179.677 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -63.8 -36.9 85.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.55 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 83.6 p -69.47 -19.16 63.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.598 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 62.5 mt . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 118.064 -0.97 . . . . 0.0 110.538 179.985 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 600' ' ' PVN . . . . . 0.92 H713 HD21 ' A' ' 535' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 429' ' ' MET . . . . . . . . . . . . . 50.5 ttp . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 430' ' ' ALA . . . . . . . . . . . . . . . 56.24 -96.88 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.523 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . 61.15 126.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.589 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 6.0 m -54.75 -22.18 9.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.579 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -53.16 -46.13 68.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.561 -179.589 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 37.6 mt -67.06 -37.21 83.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.598 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 20.9 m -61.33 -34.44 75.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.599 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 436' ' ' GLU . . . . . . . . . . . . . 76.7 tt0 -67.45 -10.35 50.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.571 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 437' ' ' LEU . . . . . . . . . . . . . 41.8 mt -90.43 72.28 6.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.535 -179.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -141.96 0.42 1.39 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.634 179.429 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 54.1 p30 -76.37 -171.81 1.91 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.543 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -57.12 -33.02 66.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.58 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 2.8 mm100 -68.15 -32.44 72.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.639 -179.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -61.11 -54.76 40.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.582 -179.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 22.3 pt -61.1 -34.53 60.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.699 -179.118 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 444' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -78.53 -51.59 9.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.669 -179.158 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -55.61 -22.86 24.45 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.723 179.116 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 446' ' ' THR . . . . . 0.487 ' O ' ' HB3' ' A' ' 449' ' ' ALA . 51.5 m -71.98 -58.62 3.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.679 -179.705 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 447' ' ' LEU . . . . . 0.416 ' HG ' ' H ' ' A' ' 447' ' ' LEU . 14.8 mt -39.37 -56.65 1.53 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.602 -179.795 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 448' ' ' VAL . . . . . . . . . . . . . 5.3 p -58.57 -37.62 66.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.682 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 449' ' ' ALA . . . . . 0.487 ' HB3' ' O ' ' A' ' 446' ' ' THR . . . -56.17 -44.54 79.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.583 179.039 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 450' ' ' LYS . . . . . . . . . . . . . 77.2 mttt -72.27 -41.42 66.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.603 178.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . -49.46 -50.91 28.79 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 -179.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 452' ' ' ARG . . . . . 0.524 ' NH2' ' OG ' ' A' ' 477' ' ' SER . 27.9 ttm180 -57.82 -44.92 86.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.821 0.343 . . . . 0.0 110.614 -179.74 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -71.72 -37.84 70.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.622 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 41.4 mt -67.73 -57.77 5.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.649 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 455' ' ' LEU . . . . . 0.587 HD11 ' CD1' ' A' ' 569' ' ' PHE . 97.2 mt -71.23 -25.55 62.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.52 179.215 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . 60.17 44.18 13.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.666 -176.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 457' ' ' CYS . . . . . 0.589 ' C ' HE22 ' A' ' 554' ' ' GLN . 3.1 p -91.6 -159.52 0.65 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.422 -179.803 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 458' ' ' ASP . . . . . 0.498 ' N ' ' NE2' ' A' ' 554' ' ' GLN . 53.8 t0 -115.83 -27.98 6.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.67 -178.136 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 459' ' ' ARG . . . . . 0.555 HH11 HG12 ' A' ' 478' ' ' VAL . 28.5 ttp85 -147.73 141.83 26.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.676 -179.403 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 460' ' ' VAL . . . . . 0.575 ' CG2' ' SG ' ' A' ' 457' ' ' CYS . 39.6 t -148.58 144.96 18.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.314 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 461' ' ' ILE . . . . . 0.444 HG21 HH22 ' A' ' 459' ' ' ARG . 13.7 pt -142.89 151.86 17.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.894 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 462' ' ' VAL . . . . . . . . . . . . . 33.7 t -112.07 132.47 60.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.349 179.125 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 463' ' ' TYR . . . . . 0.927 ' CE1' HD11 ' A' ' 551' ' ' ILE . 1.1 p90 -146.87 146.5 30.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.726 -178.795 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 464' ' ' ALA . . . . . 0.556 ' O ' HG22 ' A' ' 472' ' ' THR . . . -136.32 164.25 28.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.387 178.417 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 465' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -96.19 100.67 12.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.555 -179.008 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 466' ' ' ASP . . . . . 0.547 ' CG ' ' H ' ' A' ' 467' ' ' ASP . 29.3 t0 -74.2 -158.54 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.53 178.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 467' ' ' ASP . . . . . 0.547 ' H ' ' CG ' ' A' ' 466' ' ' ASP . 85.9 m-20 -93.17 15.53 15.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.501 -179.579 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 468' ' ' ASN . . . . . 0.501 ' O ' ' N ' ' A' ' 470' ' ' VAL . 0.4 OUTLIER -126.47 31.55 5.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.617 -178.639 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 469' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 44.04 17.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.594 179.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 470' ' ' VAL . . . . . 0.501 ' N ' ' O ' ' A' ' 468' ' ' ASN . 8.6 p -109.33 142.94 20.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.544 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -75.2 82.33 0.89 Allowed Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.901 -0.879 . . . . 0.0 110.901 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 472' ' ' THR . . . . . 0.556 HG22 ' O ' ' A' ' 464' ' ' ALA . 0.0 OUTLIER -42.04 142.98 0.63 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.815 0.34 . . . . 0.0 110.619 179.937 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 473' ' ' VAL . . . . . 0.463 HG11 ' NH1' ' A' ' 486' ' ' ARG . 91.2 t -88.03 92.78 3.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.511 -178.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 2.4 t -75.74 -67.98 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.632 177.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -149.48 138.08 20.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.58 178.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 476' ' ' GLU . . . . . 0.554 ' OE2' ' HB3' ' A' ' 485' ' ' ALA . 73.5 tt0 -125.16 132.59 53.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.592 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 477' ' ' SER . . . . . 0.524 ' OG ' ' NH2' ' A' ' 452' ' ' ARG . 7.4 t -134.02 115.5 14.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.505 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 478' ' ' VAL . . . . . 0.555 HG12 HH11 ' A' ' 459' ' ' ARG . 24.7 m -122.85 126.73 74.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.562 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 479' ' ' ALA . . . . . . . . . . . . . . . -57.8 167.72 1.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.504 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -61.76 144.58 54.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.563 -179.466 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 102.16 -30.61 10.04 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 178.13 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 482' ' ' TRP . . . . . . . . . . . . . 13.2 m95 -101.91 138.85 19.9 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 120.987 0.423 . . . . 0.0 110.665 178.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 483' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -74.09 171.7 17.44 Favored 'Trans proline' 0 C--N 1.306 -1.695 0 C-N-CA 122.852 2.368 . . . . 0.0 112.088 -179.181 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -84.04 120.98 26.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.657 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 485' ' ' ALA . . . . . 0.554 ' HB3' ' OE2' ' A' ' 476' ' ' GLU . . . -75.44 -7.16 53.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.496 -179.71 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 486' ' ' ARG . . . . . 0.463 ' NH1' HG11 ' A' ' 473' ' ' VAL . 57.9 ttt85 -49.63 -33.91 16.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.56 -179.471 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 487' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -67.05 -17.55 64.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.529 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 488' ' ' GLN . . . . . 0.505 ' OE1' HD21 ' A' ' 530' ' ' LEU . 89.0 mt-30 -106.76 115.66 30.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.547 179.771 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 489' ' ' VAL . . . . . . . . . . . . . 48.3 t -98.91 117.93 44.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.571 179.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 490' ' ' ILE . . . . . 0.772 HD13 ' N ' ' A' ' 490' ' ' ILE . 0.1 OUTLIER -48.62 138.49 3.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.59 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -107.1 -32.86 7.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.536 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 492' ' ' ASP . . . . . 0.629 ' OD2' H5C2 ' A' ' 600' ' ' PVN . 45.9 t0 -66.59 114.91 19.56 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.608 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 493' ' ' PRO . . . . . 0.548 ' C ' ' H ' ' A' ' 495' ' ' PHE . 91.7 Cg_endo -82.72 -62.79 0.02 OUTLIER 'Trans proline' 0 C--N 1.307 -1.651 0 C-N-CA 122.903 2.402 . . . . 0.0 112.244 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 494' ' ' CYS . . . . . 0.505 ' SG ' H413 ' A' ' 600' ' ' PVN . 22.1 t 60.28 -2.81 0.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.56 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 495' ' ' PHE . . . . . 0.548 ' H ' ' C ' ' A' ' 493' ' ' PRO . 68.6 t80 -64.1 -41.85 97.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.593 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 75.9 ttt180 -54.66 -36.81 64.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.608 -179.64 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 497' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -61.3 156.69 18.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.57 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 498' ' ' HIS . . . . . . . . . . . . . 44.7 p-80 -66.19 -14.28 61.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.575 -179.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 499' ' ' TRP . . . . . 0.799 ' CD2' H521 ' A' ' 600' ' ' PVN . 61.0 m95 -45.45 -31.03 1.55 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.603 -179.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 500' ' ' VAL . . . . . . . . . . . . . 92.9 t -59.21 -45.17 93.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.534 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -63.49 -28.44 69.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.58 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 502' ' ' ALA . . . . . 0.429 ' O ' ' CG ' ' A' ' 505' ' ' GLN . . . -61.32 -42.35 98.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.56 -179.754 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 54.1 m-85 -66.73 -30.14 70.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.602 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 504' ' ' ARG . . . . . 0.529 ' C ' ' H ' ' A' ' 506' ' ' GLY . 57.7 ttt180 -60.43 -54.2 48.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.555 -179.736 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 505' ' ' GLN . . . . . 0.429 ' CG ' ' O ' ' A' ' 502' ' ' ALA . 13.5 pt20 -61.31 3.31 0.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.619 179.722 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 506' ' ' GLY . . . . . 0.529 ' H ' ' C ' ' A' ' 504' ' ' ARG . . . 79.39 38.66 20.87 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 177.7 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 507' ' ' ARG . . . . . 0.405 ' HD2' ' HB1' ' A' ' 502' ' ' ALA . 23.5 ttm180 -68.57 137.46 54.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.792 0.329 . . . . 0.0 110.581 178.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 69.3 mt -106.53 123.57 61.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.566 179.4 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 509' ' ' GLN . . . . . . . . . . . . . 61.2 tp60 -114.21 118.52 34.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.528 -178.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 510' ' ' ALA . . . . . 0.86 ' HB1' ' CD1' ' A' ' 561' ' ' TRP . . . -128.15 101.12 6.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.553 178.202 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 511' ' ' THR . . . . . . . . . . . . . 4.1 m -111.5 104.04 12.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.592 -179.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 512' ' ' THR . . . . . . . . . . . . . 8.0 m -50.66 -19.96 1.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.488 179.241 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 513' ' ' ASP . . . . . 0.521 ' N ' ' OD1' ' A' ' 513' ' ' ASP . 6.1 p30 -169.79 117.54 0.59 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.532 -179.01 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 514' ' ' ILE . . . . . 0.641 HG22 ' O ' ' A' ' 514' ' ' ILE . 93.6 mt -69.23 1.19 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.578 179.425 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 515' ' ' PHE . . . . . 0.646 ' CE2' HD22 ' A' ' 524' ' ' LEU . 7.5 m-85 -77.37 -32.9 55.26 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.53 -178.136 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 34.1 pttt -96.2 27.94 3.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.51 179.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -131.33 123.28 27.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.578 -177.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . 60.93 43.87 98.83 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 177.23 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 519' ' ' LEU . . . . . . . . . . . . . 60.4 mt -46.17 169.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.806 0.336 . . . . 0.0 110.61 177.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 520' ' ' THR . . . . . . . . . . . . . 13.9 p 50.07 35.21 9.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.587 179.262 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 52.3 tt0 -146.14 163.73 34.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.479 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 522' ' ' CYS . . . . . 0.655 ' O ' ' CG ' ' A' ' 523' ' ' HIS . 0.7 OUTLIER -59.98 125.6 24.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.46 178.489 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 523' ' ' HIS . . . . . 0.655 ' CG ' ' O ' ' A' ' 522' ' ' CYS . 13.3 m170 -170.61 -82.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.674 -178.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 524' ' ' LEU . . . . . 0.646 HD22 ' CE2' ' A' ' 515' ' ' PHE . 10.1 mt -48.11 -33.7 8.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.674 178.323 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 525' ' ' ASN . . . . . . . . . . . . . 55.8 t-20 -57.27 -43.51 83.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.679 -177.37 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 526' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -103.54 -7.48 20.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.592 -178.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 527' ' ' LEU . . . . . 0.613 ' O ' HG22 ' A' ' 532' ' ' VAL . 95.9 mt -107.18 -25.77 11.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.599 -176.709 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 528' ' ' ARG . . . . . 0.715 ' N ' ' CD ' ' A' ' 529' ' ' PRO . 16.8 tpt180 -68.63 -38.54 12.44 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.379 -177.293 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 529' ' ' PRO . . . . . 0.715 ' CD ' ' N ' ' A' ' 528' ' ' ARG . 34.9 Cg_exo -59.49 -45.63 25.19 Favored 'Trans proline' 0 C--N 1.306 -1.708 0 C-N-CA 122.812 2.341 . . . . 0.0 112.179 -178.238 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 530' ' ' LEU . . . . . 0.559 ' HB2' HG13 ' A' ' 532' ' ' VAL . 67.8 mt -70.03 -6.97 37.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.698 -179.023 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 531' ' ' LYS . . . . . 0.557 ' HZ2' ' C ' ' A' ' 530' ' ' LEU . 4.9 mtmp? 64.31 25.41 13.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.544 178.664 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 532' ' ' VAL . . . . . 0.679 HG23 ' O ' ' A' ' 532' ' ' VAL . 26.3 m -76.02 109.42 9.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.702 179.689 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 533' ' ' ARG . . . . . 0.521 ' NH1' ' O ' ' A' ' 555' ' ' ALA . 74.8 mtt85 -100.07 -14.11 18.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.319 179.6 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 534' ' ' ALA . . . . . 0.577 ' HB3' ' H ' ' A' ' 554' ' ' GLN . . . -130.13 138.48 50.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.103 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 535' ' ' ASN . . . . . 0.684 HD21 H713 ' A' ' 600' ' ' PVN . 23.1 t30 -128.49 118.25 22.74 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.703 -0.399 . . . . 0.0 111.157 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 536' ' ' LEU . . . . . . . . . . . . . 69.4 tp -130.76 128.16 40.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.998 177.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 58.6 t -130.69 147.51 33.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.052 0.453 . . . . 0.0 111.133 -177.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 538' ' ' VAL . . . . . . . . . . . . . 30.9 m -140.0 129.74 13.75 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.007 178.435 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 539' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -72.39 136.13 25.78 Favored 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 122.719 2.279 . . . . 0.0 112.51 -174.559 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 540' ' ' MET . . . . . 0.456 ' HB3' ' O ' ' A' ' 548' ' ' GLY . 0.9 OUTLIER -127.96 118.07 22.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.049 176.125 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 541' ' ' VAL . . . . . . . . . . . . . 31.0 m -123.26 150.52 27.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.103 -175.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 542' ' ' ILE . . . . . 0.426 ' N ' ' O ' ' A' ' 545' ' ' GLN . 73.7 mt -129.91 129.81 66.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.061 178.566 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 543' ' ' ASP . . . . . 0.709 ' O ' ' OD1' ' A' ' 544' ' ' ASP . 59.4 t0 43.74 64.29 1.31 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.257 -179.253 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 544' ' ' ASP . . . . . 0.709 ' OD1' ' O ' ' A' ' 543' ' ' ASP . 10.6 p30 47.21 37.91 6.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.398 178.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 545' ' ' GLN . . . . . 0.426 ' O ' ' N ' ' A' ' 542' ' ' ILE . 49.3 tt0 -142.96 154.92 44.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.565 178.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 546' ' ' LEU . . . . . . . . . . . . . 29.1 tp -89.38 132.76 34.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.535 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 547' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -112.96 -54.93 2.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.582 -179.331 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 548' ' ' GLY . . . . . 0.544 ' C ' HD12 ' A' ' 549' ' ' LEU . . . -170.58 -175.89 39.6 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 -178.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 549' ' ' LEU . . . . . 0.544 HD12 ' C ' ' A' ' 548' ' ' GLY . 5.2 mp -144.93 141.1 28.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.764 0.316 . . . . 0.0 110.624 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 550' ' ' LEU . . . . . 0.588 ' N ' HD12 ' A' ' 550' ' ' LEU . 7.1 mp -94.66 124.46 38.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.305 179.442 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 551' ' ' ILE . . . . . 0.927 HD11 ' CE1' ' A' ' 463' ' ' TYR . 5.0 mt -117.24 140.64 39.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.871 -179.346 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -125.43 114.33 18.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.184 177.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 553' ' ' HIS . . . . . 0.527 ' CE1' ' CG2' ' A' ' 551' ' ' ILE . 52.7 m80 -108.8 127.86 54.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.879 0.371 . . . . 0.0 110.868 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 554' ' ' GLN . . . . . 0.589 HE22 ' C ' ' A' ' 457' ' ' CYS . 27.1 tp60 -86.59 115.28 23.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.728 175.194 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 555' ' ' ALA . . . . . 0.521 ' O ' ' NH1' ' A' ' 533' ' ' ARG . . . -90.26 -8.61 50.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.51 -176.614 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 556' ' ' SER . . . . . . . . . . . . . 91.6 p -93.49 -31.37 14.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.492 -177.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 173.97 150.18 0.24 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.398 -178.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 558' ' ' PRO . . . . . 0.571 ' HA ' ' HB2' ' A' ' 534' ' ' ALA . 53.4 Cg_endo -70.44 125.41 11.76 Favored 'Trans proline' 0 C--N 1.305 -1.761 0 C-N-CA 122.744 2.296 . . . . 0.0 112.279 179.191 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 11.9 ptm180 -117.93 140.29 49.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.306 -176.431 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 560' ' ' GLN . . . . . 0.474 ' NE2' ' N ' ' A' ' 561' ' ' TRP . 34.4 tp60 -77.93 118.26 20.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.624 176.065 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 561' ' ' TRP . . . . . 0.86 ' CD1' ' HB1' ' A' ' 510' ' ' ALA . 1.1 m95 -57.72 146.83 29.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.353 -177.102 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -94.54 136.7 34.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.832 177.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 563' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -45.81 -43.09 12.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.544 -179.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 564' ' ' ILE . . . . . 0.58 ' O ' ' NE2' ' A' ' 568' ' ' GLN . 6.3 mm -72.69 -35.78 51.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.544 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 88.8 mt-10 -64.95 -35.15 80.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.595 -178.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 566' ' ' ILE . . . . . 0.525 HD11 ' CB ' ' A' ' 561' ' ' TRP . 46.2 mm -65.83 -49.26 78.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.628 -179.55 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 60.8 t0 -63.41 -49.04 75.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.543 -179.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 568' ' ' GLN . . . . . 0.58 ' NE2' ' O ' ' A' ' 564' ' ' ILE . 2.3 mp0 -61.9 -45.3 94.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.518 -178.716 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 569' ' ' PHE . . . . . 0.587 ' CD1' HD11 ' A' ' 455' ' ' LEU . 51.1 t80 -65.48 -43.25 90.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.521 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 21.7 m -60.72 -37.75 82.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.498 177.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 82.9 mt-10 -59.85 -40.54 88.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.575 177.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 15.2 tp -57.39 -42.12 81.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.523 178.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . -68.31 -44.47 75.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.448 179.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 574' ' ' SER . . . . . . . . . . . . . 37.4 m -60.32 -32.89 71.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.557 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 43.7 m -58.48 -51.8 68.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.626 -178.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -51.91 -38.5 46.4 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 24.0 p -59.62 -30.9 69.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.796 0.331 . . . . 0.0 110.558 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 48.9 mt -63.13 -53.67 49.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.551 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 99.3 t -72.55 -45.97 56.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.492 -178.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 580' ' ' LEU . . . . . 0.429 ' O ' ' CB ' ' A' ' 584' ' ' HIS . 49.4 mt -53.55 -36.19 61.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.52 -179.23 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -60.14 -58.46 8.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.72 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 582' ' ' ARG . . . . . . . . . . . . . 57.3 mtm180 -69.86 -40.12 75.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.676 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 43.7 tp -65.14 -54.97 21.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.67 -179.251 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 584' ' ' HIS . . . . . 0.541 ' O ' ' NE2' ' A' ' 588' ' ' GLN . 83.5 t60 -49.94 -32.58 15.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.708 -179.392 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 585' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -77.12 -49.53 15.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.586 -179.423 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 38.0 mt -59.4 -45.61 91.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.647 -178.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 587' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -60.73 -47.35 86.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.598 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 588' ' ' GLN . . . . . 0.639 ' NE2' ' N ' ' A' ' 588' ' ' GLN . 0.1 OUTLIER -68.82 -49.39 58.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.645 -179.303 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 589' ' ' THR . . . . . . . . . . . . . 51.3 m -58.16 -32.28 68.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.632 -178.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 590' ' ' ILE . . . . . . . . . . . . . 11.3 mt -61.61 -38.45 80.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.559 -179.292 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -64.09 -31.46 72.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.531 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 60.0 p -72.22 -7.21 48.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.515 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 22.5 mt . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 117.943 -1.027 . . . . 0.0 110.591 -179.749 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 600' ' ' PVN . . . . . 0.799 H521 ' CD2' ' A' ' 499' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 429' ' ' MET . . . . . . . . . . . . . 64.3 mtt . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 430' ' ' ALA . . . . . . . . . . . . . . . -149.55 157.19 43.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.579 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -75.25 123.37 25.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.586 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 95.5 t -53.3 -39.04 33.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.583 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 55.3 mt-30 -56.41 -37.82 70.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.475 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 39.4 tp -61.45 -39.38 90.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.575 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 435' ' ' SER . . . . . 0.432 ' C ' ' H ' ' A' ' 437' ' ' LEU . 83.3 p -68.07 -25.83 65.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.53 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 436' ' ' GLU . . . . . . . . . . . . . 71.8 tt0 -57.67 -6.54 0.52 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.573 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 437' ' ' LEU . . . . . 0.503 ' N ' HD12 ' A' ' 437' ' ' LEU . 9.7 mp -94.93 115.85 27.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.584 -179.697 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 56.2 ttp180 -173.7 -18.12 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.577 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 439' ' ' ASP . . . . . 0.461 ' CG ' ' H ' ' A' ' 440' ' ' ARG . 43.2 t0 -64.73 -177.85 0.36 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.56 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 440' ' ' ARG . . . . . 0.461 ' H ' ' CG ' ' A' ' 439' ' ' ASP . 7.8 ptp85 -55.89 -30.11 61.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.613 -179.774 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 2.3 mm100 -67.4 -38.29 84.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.666 -179.037 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -57.87 -55.34 36.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.675 -179.346 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 22.7 pt -59.99 -33.05 51.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.72 -179.059 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 444' ' ' PHE . . . . . 0.418 ' CD1' HG11 ' A' ' 474' ' ' VAL . 4.9 m-85 -77.86 -48.57 16.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.661 -179.599 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -56.85 -22.95 40.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.639 179.598 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 446' ' ' THR . . . . . 0.467 ' O ' ' HB3' ' A' ' 449' ' ' ALA . 82.5 m -74.37 -59.26 2.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.598 -179.258 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 447' ' ' LEU . . . . . 0.425 ' HG ' ' H ' ' A' ' 447' ' ' LEU . 18.2 mt -39.77 -58.86 1.27 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.656 -178.674 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 448' ' ' VAL . . . . . 0.467 HG13 ' N ' ' A' ' 449' ' ' ALA . 12.4 p -56.96 -39.19 63.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.613 -179.094 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 449' ' ' ALA . . . . . 0.467 ' HB3' ' O ' ' A' ' 446' ' ' THR . . . -54.71 -43.09 72.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.713 179.551 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 450' ' ' LYS . . . . . . . . . . . . . 50.6 mttm -74.57 -37.59 62.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.631 179.237 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . -50.13 -51.93 28.79 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -178.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 452' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -61.1 -40.91 95.55 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.822 0.344 . . . . 0.0 110.613 -178.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -73.16 -40.37 64.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.607 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 40.2 mt -68.03 -56.19 9.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.614 -179.469 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 455' ' ' LEU . . . . . 0.565 HD11 ' CD1' ' A' ' 569' ' ' PHE . 87.1 mt -70.16 -24.14 63.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.522 -179.772 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . 59.67 41.58 18.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.635 -176.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 5.1 t -91.58 -159.53 0.65 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.502 -179.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 458' ' ' ASP . . . . . 0.419 ' O ' ' HB2' ' A' ' 479' ' ' ALA . 46.7 t0 -114.41 -29.88 6.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.632 -178.772 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 459' ' ' ARG . . . . . 0.428 ' O ' ' O ' ' A' ' 553' ' ' HIS . 6.4 ttp180 -147.38 141.5 26.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.756 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 460' ' ' VAL . . . . . . . . . . . . . 9.7 p -151.77 147.89 14.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.296 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 461' ' ' ILE . . . . . . . . . . . . . 13.5 pt -147.64 155.19 10.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.871 0.367 . . . . 0.0 110.875 -178.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 462' ' ' VAL . . . . . . . . . . . . . 91.3 t -111.58 131.96 61.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.331 177.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 463' ' ' TYR . . . . . 0.855 ' CE1' HD11 ' A' ' 551' ' ' ILE . 1.1 p90 -143.88 144.7 31.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.748 -178.1 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 464' ' ' ALA . . . . . 0.476 ' O ' ' N ' ' A' ' 472' ' ' THR . . . -138.29 166.79 23.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.377 178.155 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 465' ' ' PHE . . . . . 0.416 ' CZ ' HD21 ' A' ' 546' ' ' LEU . 0.0 OUTLIER -98.35 102.07 13.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.528 -179.444 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 466' ' ' ASP . . . . . 0.556 ' CG ' ' H ' ' A' ' 467' ' ' ASP . 31.1 t0 -72.64 -159.09 0.05 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.575 178.661 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 467' ' ' ASP . . . . . 0.556 ' H ' ' CG ' ' A' ' 466' ' ' ASP . 89.7 m-20 -85.35 15.98 4.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.533 -179.626 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 468' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -127.47 7.0 6.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.62 -179.204 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 469' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 64.0 19.47 11.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.551 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 470' ' ' VAL . . . . . . . . . . . . . 99.3 t -106.19 138.3 32.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.56 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -55.94 94.18 0.03 OUTLIER Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.921 -0.871 . . . . 0.0 110.921 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 472' ' ' THR . . . . . 0.476 ' N ' ' O ' ' A' ' 464' ' ' ALA . 18.3 m -46.35 127.61 9.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.813 0.339 . . . . 0.0 110.558 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 473' ' ' VAL . . . . . . . . . . . . . 7.0 t -78.6 67.05 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.543 -179.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 474' ' ' VAL . . . . . 0.442 HG23 ' H ' ' A' ' 474' ' ' VAL . 1.5 t -60.1 -67.0 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.587 179.693 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -153.35 144.41 22.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.548 179.088 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 476' ' ' GLU . . . . . 0.548 ' OE2' ' HB3' ' A' ' 485' ' ' ALA . 2.5 tp10 -125.4 133.39 52.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.575 179.253 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 1.3 p -137.01 118.46 14.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.562 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 478' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 478' ' ' VAL . 6.0 m -125.38 129.75 72.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.545 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 479' ' ' ALA . . . . . 0.419 ' HB2' ' O ' ' A' ' 458' ' ' ASP . . . -57.43 166.65 1.18 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.563 179.468 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 480' ' ' GLU . . . . . 0.573 ' H ' ' CD ' ' A' ' 480' ' ' GLU . 47.6 mp0 -60.67 141.53 56.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.594 -179.303 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 102.34 -30.11 11.1 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.829 -0.909 . . . . 0.0 110.829 177.465 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 482' ' ' TRP . . . . . . . . . . . . . 11.9 m95 -101.08 143.64 26.99 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 120.927 0.394 . . . . 0.0 110.626 179.005 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 483' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -72.94 166.29 30.44 Favored 'Trans proline' 0 C--N 1.304 -1.797 0 C-N-CA 122.916 2.411 . . . . 0.0 112.086 -179.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -75.82 121.19 22.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.662 179.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 485' ' ' ALA . . . . . 0.548 ' HB3' ' OE2' ' A' ' 476' ' ' GLU . . . -76.05 -11.36 59.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.516 -179.601 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 486' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -51.28 -35.4 37.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.568 -179.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 487' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -69.22 -19.78 63.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.457 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -105.75 117.56 34.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.519 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 489' ' ' VAL . . . . . 0.45 HG13 ' O ' ' A' ' 489' ' ' VAL . 14.3 p -110.3 129.67 64.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.591 179.33 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 490' ' ' ILE . . . . . 0.405 HG22 H923 ' A' ' 600' ' ' PVN . 9.7 pt -55.03 126.13 11.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.539 -179.443 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 41.5 tp10 -83.95 -35.36 24.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.597 179.633 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 492' ' ' ASP . . . . . 0.578 ' OD2' H5C2 ' A' ' 600' ' ' PVN . 36.8 t0 -64.15 117.65 38.56 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.595 -179.753 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 493' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -79.64 115.43 3.37 Favored 'Trans proline' 0 C--N 1.305 -1.749 0 C-N-CA 122.938 2.426 . . . . 0.0 112.296 179.509 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 494' ' ' CYS . . . . . . . . . . . . . 17.0 t -68.29 -33.39 74.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.575 -179.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 495' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -54.53 -46.35 73.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.601 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 496' ' ' ARG . . . . . 0.41 HH22 ' C1 ' ' A' ' 600' ' ' PVN . 67.1 ttp85 -61.47 -37.92 85.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.644 -179.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 497' ' ' GLU . . . . . 0.443 ' O ' HG23 ' A' ' 500' ' ' VAL . 90.8 mt-10 -59.82 143.46 51.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.631 -179.709 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 498' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -74.11 -19.84 60.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.615 179.335 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 499' ' ' TRP . . . . . 0.692 ' NE1' H511 ' A' ' 600' ' ' PVN . 89.9 m95 -55.8 -17.76 6.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.59 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 500' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 497' ' ' GLU . 51.0 t -45.35 -43.76 3.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.596 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -65.83 -29.49 69.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.562 179.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 502' ' ' ALA . . . . . 0.5 ' HB3' ' O ' ' A' ' 499' ' ' TRP . . . -54.48 -43.88 72.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.556 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 44.3 m-85 -78.34 -27.03 46.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.558 179.023 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 61.1 ttp180 -60.23 -18.88 51.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.57 -179.346 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 505' ' ' GLN . . . . . 0.702 HE21 ' HE ' ' A' ' 507' ' ' ARG . 15.4 pt20 -105.96 -3.17 22.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.603 -178.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . 83.81 37.32 11.84 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 179.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 507' ' ' ARG . . . . . 0.702 ' HE ' HE21 ' A' ' 505' ' ' GLN . 22.1 ttm180 -73.77 148.25 42.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.771 0.319 . . . . 0.0 110.578 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 72.1 mt -107.67 123.88 63.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.565 179.139 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 509' ' ' GLN . . . . . . . . . . . . . 61.5 tp60 -113.64 119.28 36.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.537 -179.285 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 510' ' ' ALA . . . . . 0.781 ' HB1' ' CD1' ' A' ' 561' ' ' TRP . . . -128.73 102.15 6.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.566 178.339 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 511' ' ' THR . . . . . . . . . . . . . 3.8 m -110.97 104.64 13.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.596 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 512' ' ' THR . . . . . . . . . . . . . 70.7 p -52.15 -20.28 2.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.503 179.196 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 513' ' ' ASP . . . . . 0.53 ' N ' ' OD1' ' A' ' 513' ' ' ASP . 5.2 p30 -169.42 117.63 0.63 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.548 -179.198 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 514' ' ' ILE . . . . . 0.575 HG22 ' O ' ' A' ' 514' ' ' ILE . 68.1 mt -69.19 0.32 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.517 179.276 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 515' ' ' PHE . . . . . 0.611 ' CE2' HD22 ' A' ' 524' ' ' LEU . 8.5 m-85 -76.67 -32.24 57.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.485 -178.222 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 15.8 pttp -96.79 27.49 3.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.53 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -130.8 122.75 27.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.57 -177.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . 61.27 44.94 97.45 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 177.243 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 519' ' ' LEU . . . . . . . . . . . . . 63.6 mt -48.49 169.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.77 0.319 . . . . 0.0 110.651 178.017 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 520' ' ' THR . . . . . . . . . . . . . 2.3 m 50.85 33.83 9.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.586 179.314 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 57.0 tt0 -145.96 162.8 37.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.443 179.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 522' ' ' CYS . . . . . 0.666 ' O ' ' CG ' ' A' ' 523' ' ' HIS . 0.8 OUTLIER -60.12 126.04 25.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.562 178.566 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 523' ' ' HIS . . . . . 0.666 ' CG ' ' O ' ' A' ' 522' ' ' CYS . 15.2 m170 -170.24 -80.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.719 -179.116 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 524' ' ' LEU . . . . . 0.704 ' O ' ' HB2' ' A' ' 528' ' ' ARG . 14.2 mt -47.0 -32.1 3.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.694 177.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 525' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -56.61 -42.85 79.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.718 -177.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 526' ' ' GLN . . . . . 0.473 HE22 ' H ' ' A' ' 492' ' ' ASP . 22.2 mt-30 -104.76 -7.14 19.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.54 -179.245 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 527' ' ' LEU . . . . . 0.533 ' O ' HG22 ' A' ' 532' ' ' VAL . 17.4 mt -105.78 -28.97 10.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.559 -176.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 528' ' ' ARG . . . . . 0.704 ' HB2' ' O ' ' A' ' 524' ' ' LEU . 0.0 OUTLIER -68.18 -41.16 24.58 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.31 -177.225 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 529' ' ' PRO . . . . . 0.681 ' CD ' ' N ' ' A' ' 528' ' ' ARG . 32.5 Cg_exo -56.52 -47.2 25.04 Favored 'Trans proline' 0 C--N 1.305 -1.722 0 C-N-CA 122.911 2.407 . . . . 0.0 112.272 -179.08 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 530' ' ' LEU . . . . . 0.643 ' CD1' H921 ' A' ' 600' ' ' PVN . 87.4 mt -68.28 -6.8 25.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.664 -179.248 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 28.6 mtmt 61.08 26.65 16.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.533 178.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 532' ' ' VAL . . . . . 0.695 HG23 ' O ' ' A' ' 532' ' ' VAL . 22.0 m -75.73 108.93 8.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.606 179.346 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 87.8 mtt-85 -95.01 -16.43 22.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.384 -179.543 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 534' ' ' ALA . . . . . 0.646 ' HB2' ' HA ' ' A' ' 558' ' ' PRO . . . -129.42 138.47 51.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.155 -179.598 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 535' ' ' ASN . . . . . 0.758 HD21 H612 ' A' ' 600' ' ' PVN . 30.4 t30 -127.71 117.31 21.7 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.641 -0.424 . . . . 0.0 111.144 179.525 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 536' ' ' LEU . . . . . . . . . . . . . 43.4 tp -130.69 129.13 42.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.919 178.166 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 537' ' ' VAL . . . . . 0.596 HG21 H713 ' A' ' 600' ' ' PVN . 64.7 t -130.41 146.62 33.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.068 0.461 . . . . 0.0 111.162 -178.652 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 538' ' ' VAL . . . . . . . . . . . . . 33.0 m -138.8 131.52 15.84 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.093 178.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 539' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -73.01 132.85 18.84 Favored 'Trans proline' 0 C--N 1.304 -1.788 0 C-N-CA 122.761 2.307 . . . . 0.0 112.438 -175.172 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 540' ' ' MET . . . . . 0.531 ' SD ' ' O ' ' A' ' 573' ' ' ALA . 5.5 ttt -125.45 119.36 28.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.087 176.575 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 541' ' ' VAL . . . . . . . . . . . . . 26.2 m -124.97 157.37 33.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.94 0.4 . . . . 0.0 111.103 -176.055 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 61.7 mt -131.69 130.54 62.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.119 178.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 543' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 43.68 50.83 6.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.821 0.343 . . . . 0.0 110.209 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 544' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 58.87 40.39 22.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.465 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 545' ' ' GLN . . . . . . . . . . . . . 41.5 tt0 -142.78 148.49 37.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.641 179.284 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 546' ' ' LEU . . . . . 0.416 HD21 ' CZ ' ' A' ' 465' ' ' PHE . 12.5 tp -84.57 129.89 34.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.607 -179.746 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 547' ' ' PHE . . . . . 0.414 ' CE2' ' CD2' ' A' ' 580' ' ' LEU . 60.4 t80 -115.0 -53.4 2.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.505 -179.08 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -171.17 -177.94 41.33 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -178.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 549' ' ' LEU . . . . . . . . . . . . . 4.0 mp -141.13 144.15 34.69 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.807 0.337 . . . . 0.0 110.602 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -96.95 125.98 41.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.283 178.13 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 551' ' ' ILE . . . . . 0.855 HD11 ' CE1' ' A' ' 463' ' ' TYR . 5.6 mt -117.45 139.52 44.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.965 0.412 . . . . 0.0 110.882 -178.582 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -124.26 114.51 19.69 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.156 178.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 553' ' ' HIS . . . . . 0.532 ' CE1' ' CG2' ' A' ' 551' ' ' ILE . 51.9 m80 -109.93 127.92 55.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.872 179.655 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 554' ' ' GLN . . . . . 0.585 ' H ' ' HB3' ' A' ' 534' ' ' ALA . 34.5 tt0 -89.17 117.98 28.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.591 175.151 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -90.91 -6.23 54.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.508 -176.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 556' ' ' SER . . . . . . . . . . . . . 89.3 p -95.46 -32.35 12.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.489 -178.073 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 557' ' ' GLU . . . . . 0.453 ' O ' ' OE1' ' A' ' 554' ' ' GLN . 2.6 pt-20 174.15 151.07 0.25 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.369 -178.423 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 558' ' ' PRO . . . . . 0.646 ' HA ' ' HB2' ' A' ' 534' ' ' ALA . 56.0 Cg_endo -72.05 125.34 10.83 Favored 'Trans proline' 0 C--N 1.304 -1.78 0 C-N-CA 122.803 2.336 . . . . 0.0 112.184 178.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 559' ' ' ARG . . . . . 0.433 ' NH1' ' O ' ' A' ' 455' ' ' LEU . 10.8 ptm180 -117.86 141.02 48.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.314 -177.232 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 560' ' ' GLN . . . . . . . . . . . . . 44.9 tp60 -78.52 117.12 19.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.679 176.3 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 561' ' ' TRP . . . . . 0.781 ' CD1' ' HB1' ' A' ' 510' ' ' ALA . 0.9 OUTLIER -58.96 145.56 41.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.355 -176.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.11 139.0 31.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.821 177.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 563' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -46.65 -42.63 16.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.478 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 564' ' ' ILE . . . . . . . . . . . . . 1.2 mt -74.13 -34.67 38.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.553 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 -65.94 -36.73 84.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.552 -179.126 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 566' ' ' ILE . . . . . 0.562 HD11 ' CB ' ' A' ' 561' ' ' TRP . 44.5 mm -66.03 -48.48 81.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.659 179.706 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -62.41 -47.93 81.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.624 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 568' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -61.92 -44.53 96.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.574 -179.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 569' ' ' PHE . . . . . 0.565 ' CD1' HD11 ' A' ' 455' ' ' LEU . 52.5 t80 -66.81 -44.44 81.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.516 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 20.3 m -58.97 -36.67 75.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.474 177.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 82.8 mt-10 -61.35 -39.1 89.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.525 177.51 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 13.7 tp -57.99 -44.13 86.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.456 178.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 573' ' ' ALA . . . . . 0.531 ' O ' ' SD ' ' A' ' 540' ' ' MET . . . -65.98 -44.67 84.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.454 179.385 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 574' ' ' SER . . . . . . . . . . . . . 21.5 t -58.61 -31.77 68.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.495 179.285 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 20.7 m -61.96 -44.83 95.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.583 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -47.15 -38.32 11.44 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 178.464 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 18.7 m -56.43 -39.24 72.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.748 0.309 . . . . 0.0 110.541 178.324 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 57.6 mt -56.55 -49.56 74.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.601 178.08 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 94.1 t -73.77 -52.0 22.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.541 -179.416 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 580' ' ' LEU . . . . . 0.501 ' O ' ' N ' ' A' ' 584' ' ' HIS . 8.5 mp -52.61 -49.6 64.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.507 -179.573 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -56.01 -36.28 67.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.707 -179.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 582' ' ' ARG . . . . . . . . . . . . . 59.5 ttm-85 -73.7 -49.22 26.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.715 -179.35 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 62.4 mt -77.29 -49.84 14.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.67 -178.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 584' ' ' HIS . . . . . 0.567 ' O ' ' NE2' ' A' ' 588' ' ' GLN . 81.8 t60 -47.47 -43.78 24.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.659 -178.651 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 585' ' ' PHE . . . . . 0.473 ' O ' HG23 ' A' ' 589' ' ' THR . 31.4 m-85 -82.1 -52.62 6.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.63 -179.604 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 49.5 tp -56.99 -47.43 80.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.72 -178.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 587' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -59.9 -43.71 94.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.669 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 588' ' ' GLN . . . . . 0.691 ' NE2' ' N ' ' A' ' 588' ' ' GLN . 0.0 OUTLIER -67.32 -50.52 59.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.712 179.896 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 589' ' ' THR . . . . . 0.473 HG23 ' O ' ' A' ' 585' ' ' PHE . 47.4 p -57.57 -32.74 67.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.636 -179.353 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 590' ' ' ILE . . . . . . . . . . . . . 2.2 mm -57.63 -44.7 85.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.537 -179.554 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -59.82 -50.0 75.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.576 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 25.5 m -65.04 -32.1 73.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.561 179.372 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 27.5 tp . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 118.02 -0.99 . . . . 0.0 110.55 179.906 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 600' ' ' PVN . . . . . 0.758 H612 HD21 ' A' ' 535' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 429' ' ' MET . . . . . . . . . . . . . 24.0 ttt . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 430' ' ' ALA . . . . . . . . . . . . . . . -158.5 -34.29 0.07 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.613 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -65.98 -27.76 68.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.614 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 9.9 p -72.67 -27.61 25.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.538 -179.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -56.01 -37.35 69.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.575 -179.594 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 28.2 tp -58.29 -39.34 79.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.638 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 45.8 m -69.66 -26.19 64.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.568 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 436' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -61.15 -27.82 68.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.638 -179.488 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 437' ' ' LEU . . . . . 0.639 ' N ' HD12 ' A' ' 437' ' ' LEU . 9.0 mp -67.76 135.97 53.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.535 -179.763 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 80.0 mtm180 -103.93 9.45 36.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.564 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 439' ' ' ASP . . . . . 0.444 ' OD1' ' N ' ' A' ' 440' ' ' ARG . 56.0 t0 -54.81 148.61 12.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.624 -179.713 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 440' ' ' ARG . . . . . 0.444 ' N ' ' OD1' ' A' ' 439' ' ' ASP . 74.2 ttt180 -55.64 -37.32 68.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.561 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 2.1 mm100 -69.79 -35.89 75.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.694 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -55.86 -54.73 41.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.573 -179.196 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 24.9 pt -59.37 -30.76 44.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.76 -178.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 444' ' ' PHE . . . . . 0.401 ' CD1' HG11 ' A' ' 474' ' ' VAL . 6.5 m-85 -78.48 -49.33 13.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.678 -179.593 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -56.28 -24.82 45.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.714 179.533 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 446' ' ' THR . . . . . 0.496 ' O ' ' HB3' ' A' ' 449' ' ' ALA . 72.1 m -71.34 -59.59 2.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.56 -179.415 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 447' ' ' LEU . . . . . 0.404 ' C ' ' O ' ' A' ' 446' ' ' THR . 16.0 mt -39.27 -57.42 1.36 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.577 -179.264 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 448' ' ' VAL . . . . . . . . . . . . . 6.0 p -58.35 -37.57 64.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.619 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 449' ' ' ALA . . . . . 0.496 ' HB3' ' O ' ' A' ' 446' ' ' THR . . . -55.94 -43.67 77.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.666 179.161 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 450' ' ' LYS . . . . . . . . . . . . . 80.2 mttt -74.27 -37.86 63.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.639 178.304 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . -50.73 -52.66 28.86 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.114 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 452' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -61.74 -38.78 89.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.729 0.299 . . . . 0.0 110.528 -178.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -74.13 -40.7 62.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.629 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 33.1 mt -67.55 -55.77 12.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.613 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 455' ' ' LEU . . . . . 0.575 HD11 ' CD1' ' A' ' 569' ' ' PHE . 93.5 mt -71.05 -25.14 62.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.584 179.69 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . 59.59 44.48 14.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.694 -176.443 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 457' ' ' CYS . . . . . 0.679 ' CB ' HE22 ' A' ' 554' ' ' GLN . 82.5 m -93.03 -159.1 0.65 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.47 -179.396 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 458' ' ' ASP . . . . . 0.469 ' N ' ' OE1' ' A' ' 554' ' ' GLN . 51.2 t0 -115.12 -28.75 6.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.627 -178.129 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 459' ' ' ARG . . . . . 0.403 HH12 ' HB3' ' A' ' 482' ' ' TRP . 26.4 ttm-85 -148.43 143.91 27.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.775 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 460' ' ' VAL . . . . . . . . . . . . . 62.0 t -148.0 143.74 19.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.292 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 461' ' ' ILE . . . . . . . . . . . . . 15.0 pt -140.16 148.9 22.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.931 -179.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 462' ' ' VAL . . . . . . . . . . . . . 40.6 t -111.97 133.35 57.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.398 178.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 463' ' ' TYR . . . . . 0.856 ' CE1' HD11 ' A' ' 551' ' ' ILE . 1.4 p90 -146.88 145.28 29.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.745 -178.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 464' ' ' ALA . . . . . 0.555 ' O ' HG22 ' A' ' 472' ' ' THR . . . -135.57 163.47 30.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.343 178.279 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 465' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -96.75 101.18 12.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.555 -178.574 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 466' ' ' ASP . . . . . 0.554 ' CG ' ' H ' ' A' ' 467' ' ' ASP . 31.1 t0 -73.12 -159.63 0.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.561 178.546 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 467' ' ' ASP . . . . . 0.554 ' H ' ' CG ' ' A' ' 466' ' ' ASP . 79.6 m-20 -91.71 15.61 12.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.512 -179.392 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 468' ' ' ASN . . . . . 0.449 ' O ' HG23 ' A' ' 470' ' ' VAL . 0.7 OUTLIER -125.0 21.71 8.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.625 -178.909 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 469' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 52.27 16.76 0.63 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.609 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 470' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 468' ' ' ASN . 41.6 t -110.15 136.5 45.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.524 179.77 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 471' ' ' GLY . . . . . 0.632 ' HA3' HD11 ' A' ' 490' ' ' ILE . . . -66.16 88.99 0.13 Allowed Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.904 -0.879 . . . . 0.0 110.904 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 472' ' ' THR . . . . . 0.555 HG22 ' O ' ' A' ' 464' ' ' ALA . 0.1 OUTLIER -47.72 133.82 13.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.774 0.321 . . . . 0.0 110.613 179.876 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 473' ' ' VAL . . . . . . . . . . . . . 4.1 t -76.44 89.06 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.501 -179.176 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 474' ' ' VAL . . . . . 0.401 HG11 ' CD1' ' A' ' 444' ' ' PHE . 2.9 t -73.08 -69.05 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.643 178.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -151.28 141.33 22.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.508 178.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 476' ' ' GLU . . . . . 0.42 ' OE2' ' HB3' ' A' ' 485' ' ' ALA . 4.4 tp10 -123.89 130.8 53.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.602 179.415 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 9.8 t -132.61 114.92 14.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.493 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 478' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 478' ' ' VAL . 12.9 m -124.33 127.12 72.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.567 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 479' ' ' ALA . . . . . . . . . . . . . . . -57.82 168.57 0.89 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.541 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -61.75 144.15 55.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.541 -179.283 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 102.22 -31.0 9.21 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 178.115 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 482' ' ' TRP . . . . . 0.403 ' HB3' HH12 ' A' ' 459' ' ' ARG . 21.2 m95 -98.86 144.39 28.09 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 120.939 0.4 . . . . 0.0 110.671 178.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 483' ' ' PRO . . . . . 0.429 ' CD ' ' NZ ' ' A' ' 531' ' ' LYS . 59.9 Cg_endo -73.72 169.77 21.58 Favored 'Trans proline' 0 C--N 1.305 -1.763 0 C-N-CA 122.808 2.338 . . . . 0.0 112.094 -179.351 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -78.73 112.3 15.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.632 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 485' ' ' ALA . . . . . 0.42 ' HB3' ' OE2' ' A' ' 476' ' ' GLU . . . -77.2 -10.16 59.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.552 -179.521 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 486' ' ' ARG . . . . . . . . . . . . . 65.5 ttt180 -53.53 -32.05 48.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.552 -179.547 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 487' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -71.46 -11.61 60.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.565 -179.196 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 92.1 mt-30 -105.01 117.77 34.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.542 -179.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 489' ' ' VAL . . . . . . . . . . . . . 59.2 t -102.3 117.41 47.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.495 179.116 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 490' ' ' ILE . . . . . 0.632 HD11 ' HA3' ' A' ' 471' ' ' GLY . 5.5 pt -52.0 114.62 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.576 -179.478 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 79.0 tt0 -79.35 -33.36 43.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.587 -179.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 492' ' ' ASP . . . . . 0.674 ' OD2' H5C2 ' A' ' 600' ' ' PVN . 37.1 t0 -62.33 113.79 9.83 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.629 -179.481 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 493' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -84.99 138.21 6.69 Favored 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 122.914 2.409 . . . . 0.0 112.213 178.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 494' ' ' CYS . . . . . 0.406 ' O ' ' CG1' ' A' ' 500' ' ' VAL . 1.1 t -106.14 -21.19 13.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.513 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 495' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -55.91 -35.69 66.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.616 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 73.0 mtm180 -71.49 157.62 37.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.677 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 497' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 57.37 -176.29 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.598 179.594 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 498' ' ' HIS . . . . . 0.525 ' CG ' ' H ' ' A' ' 499' ' ' TRP . 11.1 t-80 -68.61 -141.79 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.622 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 499' ' ' TRP . . . . . 0.525 ' H ' ' CG ' ' A' ' 498' ' ' HIS . 15.9 t-105 72.77 -47.04 0.66 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.587 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 500' ' ' VAL . . . . . 0.552 HG23 ' N ' ' A' ' 501' ' ' GLU . 13.0 m -53.97 -42.96 56.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.622 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 501' ' ' GLU . . . . . 0.552 ' N ' HG23 ' A' ' 500' ' ' VAL . 95.6 mt-10 -65.31 -30.11 70.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.536 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 502' ' ' ALA . . . . . 0.483 ' HB3' ' O ' ' A' ' 499' ' ' TRP . . . -49.99 -45.56 51.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.551 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 503' ' ' TYR . . . . . 0.558 ' OH ' ' NE2' ' A' ' 509' ' ' GLN . 57.6 m-85 -76.17 -28.17 57.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.53 179.467 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 56.1 ttp180 -59.47 -16.65 25.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.588 -179.302 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -103.76 -2.84 25.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.615 -179.255 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . 83.45 36.38 14.5 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -179.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 507' ' ' ARG . . . . . . . . . . . . . 60.9 ttm-85 -73.85 147.27 43.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.79 0.329 . . . . 0.0 110.541 -179.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 6.7 pt -107.29 123.36 62.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.601 178.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 509' ' ' GLN . . . . . 0.585 ' OE1' H621 ' A' ' 600' ' ' PVN . 6.3 tt0 -113.01 118.28 34.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.53 -178.673 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 510' ' ' ALA . . . . . 0.791 ' HB1' ' CD1' ' A' ' 561' ' ' TRP . . . -128.79 102.3 6.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.598 178.498 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 511' ' ' THR . . . . . . . . . . . . . 4.1 m -110.4 105.46 14.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.533 -179.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 512' ' ' THR . . . . . . . . . . . . . 38.5 p -52.21 -20.2 2.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.592 178.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 513' ' ' ASP . . . . . 0.45 ' OD2' ' NZ ' ' A' ' 516' ' ' LYS . 4.3 p30 -168.19 116.68 0.73 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.567 -179.281 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 514' ' ' ILE . . . . . 0.575 HG22 ' O ' ' A' ' 514' ' ' ILE . 84.6 mt -68.81 -2.54 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.498 179.092 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 515' ' ' PHE . . . . . 0.558 ' CZ ' HD22 ' A' ' 524' ' ' LEU . 7.2 m-85 -75.74 -30.21 59.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.515 -178.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 516' ' ' LYS . . . . . 0.45 ' NZ ' ' OD2' ' A' ' 513' ' ' ASP . 49.6 mttp -90.39 27.91 1.58 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.534 179.062 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -133.22 142.64 48.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.612 -177.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . 40.99 46.91 4.13 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.936 -0.865 . . . . 0.0 110.936 177.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 519' ' ' LEU . . . . . 0.454 ' C ' ' H ' ' A' ' 521' ' ' GLU . 8.9 mt -44.77 154.88 0.12 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.754 0.311 . . . . 0.0 110.577 177.595 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 520' ' ' THR . . . . . . . . . . . . . 1.9 m 72.25 -41.83 0.52 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.589 177.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 521' ' ' GLU . . . . . 0.454 ' H ' ' C ' ' A' ' 519' ' ' LEU . 78.8 mt-10 -66.98 159.66 28.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.447 -179.127 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 522' ' ' CYS . . . . . 0.681 ' O ' ' CG ' ' A' ' 523' ' ' HIS . 1.2 p -62.64 130.69 46.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.544 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 523' ' ' HIS . . . . . 0.681 ' CG ' ' O ' ' A' ' 522' ' ' CYS . 17.9 m170 -170.09 -78.68 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.638 -179.315 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 524' ' ' LEU . . . . . 0.704 ' O ' ' HB2' ' A' ' 528' ' ' ARG . 15.7 mt -45.52 -29.71 1.24 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.754 177.384 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 525' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -55.1 -44.28 74.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.72 -177.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 526' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -103.34 -7.52 20.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.576 -179.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 527' ' ' LEU . . . . . 0.619 ' O ' HG22 ' A' ' 532' ' ' VAL . 13.4 mt -104.4 -30.94 9.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.548 -177.061 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 528' ' ' ARG . . . . . 0.704 ' HB2' ' O ' ' A' ' 524' ' ' LEU . 0.0 OUTLIER -66.84 -42.69 45.04 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.331 -177.482 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 529' ' ' PRO . . . . . 0.666 ' CD ' ' N ' ' A' ' 528' ' ' ARG . 37.6 Cg_exo -55.51 -45.83 36.77 Favored 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 122.968 2.445 . . . . 0.0 112.205 -179.065 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 22.2 mt -68.04 -6.18 21.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.643 -179.344 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 531' ' ' LYS . . . . . 0.429 ' NZ ' ' CD ' ' A' ' 483' ' ' PRO . 22.6 mtmt 62.13 27.92 16.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.522 177.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 532' ' ' VAL . . . . . 0.718 HG23 ' O ' ' A' ' 532' ' ' VAL . 23.5 m -75.53 105.87 4.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.628 178.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 533' ' ' ARG . . . . . 0.463 ' NH1' ' O ' ' A' ' 556' ' ' SER . 89.7 mtt180 -91.82 -13.19 31.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.33 -179.659 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 534' ' ' ALA . . . . . 0.64 ' HB2' ' HA ' ' A' ' 558' ' ' PRO . . . -135.63 141.89 45.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.132 -179.751 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 535' ' ' ASN . . . . . 0.437 ' ND2' H712 ' A' ' 600' ' ' PVN . 24.9 t-20 -128.34 119.91 25.99 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.711 -0.396 . . . . 0.0 111.254 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 536' ' ' LEU . . . . . . . . . . . . . 64.5 tp -132.5 128.1 36.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.979 177.369 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 537' ' ' VAL . . . . . 0.419 HG22 HG23 ' A' ' 551' ' ' ILE . 64.0 t -130.14 147.49 33.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.063 0.458 . . . . 0.0 111.237 -177.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 538' ' ' VAL . . . . . . . . . . . . . 35.3 m -139.91 132.84 15.1 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.098 178.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 539' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -72.52 136.48 26.12 Favored 'Trans proline' 0 C--N 1.305 -1.76 0 C-N-CA 122.778 2.319 . . . . 0.0 112.486 -175.408 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 540' ' ' MET . . . . . 0.509 ' SD ' ' O ' ' A' ' 573' ' ' ALA . 5.2 ttt -133.68 116.36 15.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.078 176.569 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 541' ' ' VAL . . . . . . . . . . . . . 31.5 m -124.06 156.77 31.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.002 0.43 . . . . 0.0 111.114 -176.202 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 89.0 mt -126.25 129.46 72.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.062 179.114 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 543' ' ' ASP . . . . . . . . . . . . . 58.1 t0 44.22 45.88 7.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.322 -179.346 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 544' ' ' ASP . . . . . . . . . . . . . 42.5 t0 63.26 39.18 9.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.449 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 545' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -138.35 147.54 43.6 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.534 179.504 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 546' ' ' LEU . . . . . . . . . . . . . 33.3 tp -78.71 125.18 29.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.639 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 547' ' ' PHE . . . . . 0.429 ' O ' ' HB1' ' A' ' 464' ' ' ALA . 69.9 t80 -114.46 -53.89 2.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.466 -179.217 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 548' ' ' GLY . . . . . 0.585 ' C ' HD12 ' A' ' 549' ' ' LEU . . . -175.2 -177.45 44.29 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 -179.223 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 549' ' ' LEU . . . . . 0.585 HD12 ' C ' ' A' ' 548' ' ' GLY . 5.3 mp -143.69 142.99 31.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.843 0.354 . . . . 0.0 110.548 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 550' ' ' LEU . . . . . 0.616 ' N ' HD12 ' A' ' 550' ' ' LEU . 7.4 mp -93.81 124.81 38.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.293 179.306 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 551' ' ' ILE . . . . . 0.856 HD11 ' CE1' ' A' ' 463' ' ' TYR . 5.2 mt -116.59 138.54 46.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.929 -178.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -123.96 114.16 19.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.269 178.152 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 553' ' ' HIS . . . . . 0.539 ' CE1' ' CG2' ' A' ' 551' ' ' ILE . 56.0 m80 -108.51 128.5 54.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.963 0.411 . . . . 0.0 110.803 -179.479 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 554' ' ' GLN . . . . . 0.679 HE22 ' CB ' ' A' ' 457' ' ' CYS . 4.3 tp-100 -88.01 114.76 24.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.643 174.549 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -89.0 -7.56 55.75 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.498 -176.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 556' ' ' SER . . . . . 0.463 ' O ' ' NH1' ' A' ' 533' ' ' ARG . 14.4 t -94.3 -32.42 13.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.541 -177.791 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 173.86 150.76 0.24 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.419 -178.219 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 558' ' ' PRO . . . . . 0.64 ' HA ' ' HB2' ' A' ' 534' ' ' ALA . 51.7 Cg_endo -70.22 124.58 11.03 Favored 'Trans proline' 0 C--N 1.304 -1.791 0 C-N-CA 122.751 2.301 . . . . 0.0 112.289 178.793 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 559' ' ' ARG . . . . . 0.512 ' NH2' ' OE1' ' A' ' 565' ' ' GLU . 9.0 ptm180 -117.65 140.69 49.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.372 -176.748 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 560' ' ' GLN . . . . . . . . . . . . . 39.0 tp60 -78.23 116.87 18.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.652 176.354 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 561' ' ' TRP . . . . . 0.791 ' CD1' ' HB1' ' A' ' 510' ' ' ALA . 1.0 OUTLIER -60.12 146.83 41.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.323 -177.296 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -93.01 139.16 30.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.873 177.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 563' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -47.41 -42.73 22.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.488 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 564' ' ' ILE . . . . . 0.402 ' N ' HD13 ' A' ' 564' ' ' ILE . 6.3 mm -74.71 -34.33 33.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.506 179.531 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 565' ' ' GLU . . . . . 0.512 ' OE1' ' NH2' ' A' ' 559' ' ' ARG . 90.1 mt-10 -68.03 -37.9 81.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.558 -179.478 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 566' ' ' ILE . . . . . 0.561 HD11 ' HB2' ' A' ' 561' ' ' TRP . 98.1 mt -68.25 -48.85 71.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.547 -179.711 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -61.64 -45.44 94.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.581 -179.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 568' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -64.8 -43.46 93.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.538 -179.503 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 569' ' ' PHE . . . . . 0.575 ' CD1' HD11 ' A' ' 455' ' ' LEU . 50.1 t80 -63.96 -42.49 97.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.502 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 23.1 t -60.86 -39.78 90.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.459 178.036 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 -57.34 -39.57 76.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.521 177.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 13.2 tp -58.77 -43.94 90.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.498 178.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 573' ' ' ALA . . . . . 0.509 ' O ' ' SD ' ' A' ' 540' ' ' MET . . . -65.47 -45.85 82.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.436 179.782 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 574' ' ' SER . . . . . . . . . . . . . 20.2 t -62.4 -33.55 74.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.602 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 31.9 m -53.72 -54.95 30.8 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.515 -178.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 576' ' ' GLY . . . . . 0.401 ' O ' HD13 ' A' ' 580' ' ' LEU . . . -52.64 -36.88 49.57 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 577' ' ' SER . . . . . 0.42 ' OG ' ' CG ' ' A' ' 540' ' ' MET . 1.9 m -59.7 -37.37 78.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.783 0.325 . . . . 0.0 110.519 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 33.9 mt -57.17 -53.21 60.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.557 -178.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 72.0 t -70.44 -52.77 26.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.482 -178.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 580' ' ' LEU . . . . . 0.401 HD13 ' O ' ' A' ' 576' ' ' GLY . 7.4 mp -50.56 -33.94 23.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.568 -179.232 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 581' ' ' GLU . . . . . 0.458 ' O ' ' CD1' ' A' ' 585' ' ' PHE . 85.9 tt0 -58.29 -55.22 37.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.629 -179.539 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 582' ' ' ARG . . . . . . . . . . . . . 93.1 mtt180 -83.31 -33.3 25.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.823 -179.167 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 583' ' ' LEU . . . . . 0.569 HD23 ' C ' ' A' ' 583' ' ' LEU . 3.5 tt -67.38 -61.23 2.01 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.651 -178.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 584' ' ' HIS . . . . . . . . . . . . . 76.9 t60 -54.67 -43.26 72.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.602 -178.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 585' ' ' PHE . . . . . 0.458 ' CD1' ' O ' ' A' ' 581' ' ' GLU . 9.5 m-85 -67.03 -44.77 79.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.671 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 27.7 tp -49.78 -51.21 41.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.642 179.414 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 587' ' ' GLU . . . . . 0.443 ' HA ' HD12 ' A' ' 590' ' ' ILE . 92.5 mt-10 -53.97 -35.69 62.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.635 178.656 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 588' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -62.89 -47.41 83.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.657 179.607 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 589' ' ' THR . . . . . . . . . . . . . 36.3 m -57.49 -34.1 68.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.553 -179.074 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 590' ' ' ILE . . . . . 0.443 HD12 ' HA ' ' A' ' 587' ' ' GLU . 73.4 mt -54.48 -47.45 70.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.614 -178.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -65.89 -24.13 66.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.534 -179.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 4.9 t -62.11 -9.75 8.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.578 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 593' ' ' LEU . . . . . 0.597 ' N ' HD12 ' A' ' 593' ' ' LEU . 9.9 mp . . . . . 0 C--O 1.221 -0.445 0 CA-C-O 117.978 -1.011 . . . . 0.0 110.545 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 600' ' ' PVN . . . . . 0.674 H5C2 ' OD2' ' A' ' 492' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 429' ' ' MET . . . . . . . . . . . . . 71.2 mtm . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 430' ' ' ALA . . . . . . . . . . . . . . . 62.03 30.45 17.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.633 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -82.96 112.37 19.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.584 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 98.9 t -100.8 -35.09 4.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.577 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -59.69 -40.17 86.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.533 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 66.0 mt -61.83 -40.54 95.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.586 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 19.2 m -65.94 -40.69 91.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.59 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 436' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -75.11 6.94 3.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.579 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 437' ' ' LEU . . . . . . . . . . . . . 15.1 tp -74.61 116.78 15.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.616 179.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 438' ' ' ARG . . . . . 0.437 ' HE ' ' CA ' ' A' ' 438' ' ' ARG . 0.0 OUTLIER -173.13 76.08 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.607 -179.807 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 439' ' ' ASP . . . . . 0.449 ' OD1' ' N ' ' A' ' 440' ' ' ARG . 56.5 t0 -140.76 147.57 39.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.538 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 440' ' ' ARG . . . . . 0.449 ' N ' ' OD1' ' A' ' 439' ' ' ASP . 82.0 mtp180 -55.94 -34.13 65.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.602 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 3.0 mm100 -68.94 -38.03 79.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.654 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -56.59 -54.67 43.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.714 -179.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 28.3 pt -60.32 -30.46 46.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.704 -179.101 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 444' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -79.56 -49.11 12.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.664 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -56.89 -23.99 48.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.74 179.532 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 446' ' ' THR . . . . . 0.487 ' O ' ' HB3' ' A' ' 449' ' ' ALA . 78.4 m -72.69 -59.49 2.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.635 -179.26 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 447' ' ' LEU . . . . . 0.406 ' HG ' ' H ' ' A' ' 447' ' ' LEU . 15.8 mt -39.19 -58.29 1.19 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.611 -179.219 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 448' ' ' VAL . . . . . 0.418 HG13 ' N ' ' A' ' 449' ' ' ALA . 7.1 p -57.43 -37.78 59.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.61 -179.739 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 449' ' ' ALA . . . . . 0.487 ' HB3' ' O ' ' A' ' 446' ' ' THR . . . -56.75 -45.09 82.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.623 179.201 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 450' ' ' LYS . . . . . . . . . . . . . 82.0 mttt -71.18 -43.62 67.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.657 178.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . -48.49 -48.95 27.55 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 452' ' ' ARG . . . . . . . . . . . . . 59.4 ttp180 -58.14 -42.89 86.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.826 0.346 . . . . 0.0 110.638 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -74.38 -38.09 63.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.659 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 33.5 mt -67.62 -56.49 9.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.574 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 455' ' ' LEU . . . . . 0.565 HD11 ' CE1' ' A' ' 569' ' ' PHE . 87.3 mt -70.73 -26.55 63.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.55 179.33 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . 59.56 44.16 15.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.684 -175.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 457' ' ' CYS . . . . . 0.588 ' SG ' ' NH1' ' A' ' 559' ' ' ARG . 65.0 m -91.38 -159.42 0.64 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.495 -179.46 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 458' ' ' ASP . . . . . 0.448 ' N ' ' NE2' ' A' ' 554' ' ' GLN . 52.7 t0 -114.87 -28.86 6.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.584 -178.282 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 459' ' ' ARG . . . . . . . . . . . . . 10.5 ttp180 -148.08 142.67 26.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.703 -179.49 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 460' ' ' VAL . . . . . 0.423 ' O ' ' O ' ' A' ' 477' ' ' SER . 39.8 t -148.83 144.2 18.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.287 179.558 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 461' ' ' ILE . . . . . . . . . . . . . 13.9 pt -143.12 152.21 16.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.869 0.366 . . . . 0.0 110.829 -178.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 462' ' ' VAL . . . . . . . . . . . . . 45.5 t -113.23 133.18 59.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.339 177.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 463' ' ' TYR . . . . . 0.57 ' CD1' ' C ' ' A' ' 463' ' ' TYR . 0.0 OUTLIER -144.01 145.33 32.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.744 -177.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 464' ' ' ALA . . . . . 0.502 ' N ' ' CD1' ' A' ' 463' ' ' TYR . . . -137.92 164.91 27.82 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.425 176.784 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 465' ' ' PHE . . . . . 0.477 ' O ' ' CG ' ' A' ' 465' ' ' PHE . 17.0 p90 -107.75 109.42 20.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.586 -179.051 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 466' ' ' ASP . . . . . 0.569 ' CG ' ' H ' ' A' ' 467' ' ' ASP . 31.2 t0 -73.63 -156.21 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.56 179.172 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 467' ' ' ASP . . . . . 0.569 ' H ' ' CG ' ' A' ' 466' ' ' ASP . 43.8 t0 -89.88 18.06 6.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.55 -179.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 468' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -126.49 8.14 7.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.555 -178.534 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 469' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 64.03 17.53 10.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.572 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 470' ' ' VAL . . . . . . . . . . . . . 98.3 t -103.81 135.39 41.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.614 179.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -63.97 106.02 1.28 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 472' ' ' THR . . . . . . . . . . . . . 63.8 m -65.73 135.91 55.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.81 0.338 . . . . 0.0 110.589 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 473' ' ' VAL . . . . . 0.445 ' H ' HG22 ' A' ' 473' ' ' VAL . 4.5 m -85.7 71.63 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.504 -179.429 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 2.8 t -60.16 -68.07 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.678 179.239 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -151.81 141.9 22.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.592 179.062 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 476' ' ' GLU . . . . . 0.519 ' OE1' ' N ' ' A' ' 486' ' ' ARG . 63.5 tt0 -127.31 134.54 50.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.521 179.215 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 477' ' ' SER . . . . . 0.423 ' O ' ' O ' ' A' ' 460' ' ' VAL . 25.1 p -132.35 113.79 13.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.474 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 478' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 478' ' ' VAL . 24.7 m -123.99 127.4 73.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.684 179.741 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 479' ' ' ALA . . . . . . . . . . . . . . . -58.06 167.36 1.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.569 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -61.33 145.93 49.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.54 -179.248 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 100.35 -31.07 8.94 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 177.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 482' ' ' TRP . . . . . . . . . . . . . 22.4 m95 -98.5 141.12 22.4 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 120.948 0.404 . . . . 0.0 110.651 178.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 483' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_endo -74.49 173.23 14.64 Favored 'Trans proline' 0 C--N 1.306 -1.701 0 C-N-CA 122.845 2.363 . . . . 0.0 112.111 -179.104 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -87.54 119.78 28.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.646 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 485' ' ' ALA . . . . . 0.51 ' N ' ' OE2' ' A' ' 476' ' ' GLU . . . -75.95 -8.36 56.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.55 -179.615 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 486' ' ' ARG . . . . . 0.519 ' N ' ' OE1' ' A' ' 476' ' ' GLU . 74.3 ttt180 -50.32 -29.78 10.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.615 -179.347 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 487' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -67.8 -15.42 63.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.543 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -108.11 114.44 28.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.559 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 489' ' ' VAL . . . . . 0.629 HG13 ' O ' ' A' ' 489' ' ' VAL . 9.9 p -91.74 113.32 26.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.523 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 490' ' ' ILE . . . . . 0.543 ' CG2' H912 ' A' ' 600' ' ' PVN . 62.0 mt -45.7 103.94 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.599 179.49 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -79.37 -31.7 42.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.551 -179.655 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 492' ' ' ASP . . . . . 0.589 ' OD2' H322 ' A' ' 600' ' ' PVN . 39.7 t0 -69.18 117.86 56.2 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.541 -179.623 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 493' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -80.31 149.62 19.44 Favored 'Trans proline' 0 C--N 1.304 -1.764 0 C-N-CA 122.981 2.454 . . . . 0.0 112.206 179.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 494' ' ' CYS . . . . . 0.491 ' O ' ' CG1' ' A' ' 500' ' ' VAL . 8.9 t -101.49 -27.11 13.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.517 -179.588 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 495' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -61.84 -46.66 88.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.643 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -59.89 -36.13 76.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.608 -179.6 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 497' ' ' GLU . . . . . 0.532 ' HG2' H5C1 ' A' ' 600' ' ' PVN . 90.8 mt-10 -56.23 141.89 39.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.612 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 498' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -80.45 -20.01 44.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.593 179.545 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 499' ' ' TRP . . . . . 0.813 ' CD1' H511 ' A' ' 600' ' ' PVN . 44.9 m95 -62.9 -17.9 62.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.586 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 500' ' ' VAL . . . . . 0.491 ' CG1' ' O ' ' A' ' 494' ' ' CYS . 24.5 m -42.17 -38.34 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.643 179.755 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -62.13 -34.7 76.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.544 179.329 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 502' ' ' ALA . . . . . 0.519 ' N ' ' O ' ' A' ' 499' ' ' TRP . . . -57.02 -39.49 74.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.607 179.566 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 -79.51 -33.43 42.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.58 179.353 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 56.7 ttp180 -54.8 -17.68 3.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.595 179.021 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -87.9 -10.07 51.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.633 179.506 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . 80.61 2.75 90.0 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 507' ' ' ARG . . . . . 0.561 ' CG ' ' H ' ' A' ' 508' ' ' ILE . 32.4 ttm180 -57.26 175.64 0.14 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.828 0.347 . . . . 0.0 110.577 -179.024 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 508' ' ' ILE . . . . . 0.561 ' H ' ' CG ' ' A' ' 507' ' ' ARG . 71.4 mt -115.16 136.03 53.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.618 -179.181 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 509' ' ' GLN . . . . . . . . . . . . . 11.3 tp-100 -112.13 119.77 39.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.567 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 510' ' ' ALA . . . . . 0.818 ' HB1' ' CD1' ' A' ' 561' ' ' TRP . . . -129.69 101.62 5.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.581 179.179 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 511' ' ' THR . . . . . . . . . . . . . 5.1 m -109.35 103.69 12.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.612 179.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 512' ' ' THR . . . . . . . . . . . . . 41.6 p -51.57 -20.48 1.97 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.455 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 513' ' ' ASP . . . . . 0.438 ' O ' ' OD1' ' A' ' 513' ' ' ASP . 15.3 p30 -168.81 116.47 0.66 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.563 -178.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 514' ' ' ILE . . . . . 0.59 HG22 ' O ' ' A' ' 514' ' ' ILE . 87.5 mt -68.46 -2.32 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.52 178.784 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 515' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -72.02 -29.38 64.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.548 -179.107 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 77.4 mttt -93.27 27.58 2.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.543 179.334 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -130.88 141.05 50.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.486 -177.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . 41.04 44.81 3.72 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 177.191 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 519' ' ' LEU . . . . . 0.548 ' C ' HG23 ' A' ' 520' ' ' THR . 2.1 mt -42.47 155.69 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.756 0.312 . . . . 0.0 110.661 177.766 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 520' ' ' THR . . . . . 0.548 HG23 ' C ' ' A' ' 519' ' ' LEU . 2.2 p 67.83 -41.7 0.44 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.622 178.08 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 521' ' ' GLU . . . . . 0.521 ' H ' ' C ' ' A' ' 519' ' ' LEU . 58.8 tt0 -66.95 162.44 21.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.391 -178.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 522' ' ' CYS . . . . . 0.696 ' O ' ' CG ' ' A' ' 523' ' ' HIS . 0.8 OUTLIER -58.28 124.52 19.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.544 179.326 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 523' ' ' HIS . . . . . 0.696 ' CG ' ' O ' ' A' ' 522' ' ' CYS . 13.0 m170 -173.19 -80.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.646 -178.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 524' ' ' LEU . . . . . 0.509 ' O ' ' N ' ' A' ' 528' ' ' ARG . 0.6 OUTLIER -49.5 -34.87 18.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.754 178.169 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 525' ' ' ASN . . . . . . . . . . . . . 47.2 t-20 -58.42 -41.5 85.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.672 -178.15 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 526' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -100.51 -8.7 22.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.588 -178.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 527' ' ' LEU . . . . . 0.487 HD13 HG21 ' A' ' 514' ' ' ILE . 17.2 mt -105.37 -24.12 12.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.58 -178.173 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 528' ' ' ARG . . . . . 0.708 ' N ' ' CD ' ' A' ' 529' ' ' PRO . 18.0 tpt180 -67.28 -39.9 23.76 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.274 -177.794 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 529' ' ' PRO . . . . . 0.708 ' CD ' ' N ' ' A' ' 528' ' ' ARG . 34.9 Cg_exo -59.66 -46.46 20.28 Favored 'Trans proline' 0 C--N 1.306 -1.69 0 C-N-CA 122.922 2.415 . . . . 0.0 112.225 -177.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 530' ' ' LEU . . . . . 0.519 ' HB2' HG13 ' A' ' 532' ' ' VAL . 49.7 mt -67.73 -8.53 36.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.704 -178.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 19.8 mtmt 62.61 27.66 16.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.474 178.167 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 532' ' ' VAL . . . . . 0.672 HG23 ' O ' ' A' ' 532' ' ' VAL . 31.2 m -76.46 108.75 9.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.671 178.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 69.0 mtp85 -95.38 -14.39 23.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.311 -179.601 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 534' ' ' ALA . . . . . 0.668 ' HB3' ' H ' ' A' ' 554' ' ' GLN . . . -131.92 139.68 48.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.1 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 535' ' ' ASN . . . . . 0.79 HD21 H713 ' A' ' 600' ' ' PVN . 29.6 t30 -127.9 118.54 23.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.921 0.391 . . . . 0.0 111.198 -179.753 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 536' ' ' LEU . . . . . 0.401 ' O ' HG23 ' A' ' 551' ' ' ILE . 64.5 tp -132.89 126.69 32.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.953 176.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 537' ' ' VAL . . . . . 0.481 HG12 ' HD3' ' A' ' 539' ' ' PRO . 39.2 t -127.83 144.35 37.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.923 0.392 . . . . 0.0 111.237 -176.476 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 538' ' ' VAL . . . . . 0.632 HG23 ' O ' ' A' ' 538' ' ' VAL . 27.1 m -155.28 82.16 3.95 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.093 178.693 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 539' ' ' PRO . . . . . 0.481 ' HD3' HG12 ' A' ' 537' ' ' VAL . 78.7 Cg_endo -87.22 137.73 4.51 Favored 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.807 2.338 . . . . 0.0 112.445 -176.463 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 540' ' ' MET . . . . . 0.533 ' SD ' ' O ' ' A' ' 573' ' ' ALA . 5.9 ptt? -92.67 150.28 20.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.101 177.182 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 541' ' ' VAL . . . . . . . . . . . . . 20.5 m -121.9 143.52 34.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.148 -176.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 542' ' ' ILE . . . . . 0.528 HD12 ' CD2' ' A' ' 547' ' ' PHE . 96.7 mt -135.8 128.11 46.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.094 178.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 543' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 57.97 44.9 18.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.213 -179.376 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 544' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 58.37 41.41 23.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.408 179.374 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 545' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -157.38 148.52 21.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.554 179.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 546' ' ' LEU . . . . . 0.751 ' N ' HD12 ' A' ' 546' ' ' LEU . 6.7 mp -76.22 142.47 41.46 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.575 179.567 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 547' ' ' PHE . . . . . 0.528 ' CD2' HD12 ' A' ' 542' ' ' ILE . 2.2 t80 -116.72 -37.17 3.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.55 -179.338 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -156.73 161.26 30.88 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 -178.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 549' ' ' LEU . . . . . 0.499 ' N ' HD12 ' A' ' 549' ' ' LEU . 1.4 mp -137.44 114.5 10.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.813 0.339 . . . . 0.0 110.623 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 550' ' ' LEU . . . . . 0.574 ' N ' HD12 ' A' ' 550' ' ' LEU . 10.4 mp -94.35 113.54 25.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.292 179.441 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 551' ' ' ILE . . . . . 0.513 ' CG2' ' CE1' ' A' ' 553' ' ' HIS . 9.8 mt -118.66 139.35 46.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.916 -178.268 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -124.83 116.53 22.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.195 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 553' ' ' HIS . . . . . 0.513 ' CE1' ' CG2' ' A' ' 551' ' ' ILE . 48.1 m80 -109.94 128.62 55.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.905 0.383 . . . . 0.0 110.822 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 554' ' ' GLN . . . . . 0.668 ' H ' ' HB3' ' A' ' 534' ' ' ALA . 23.3 tp60 -88.24 112.78 23.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.65 174.755 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -87.62 -7.34 57.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.452 -176.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 556' ' ' SER . . . . . . . . . . . . . 86.0 p -94.26 -31.4 14.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.477 -177.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 173.3 150.13 0.23 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.364 -178.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 558' ' ' PRO . . . . . 0.586 ' HA ' ' HB2' ' A' ' 534' ' ' ALA . 52.1 Cg_endo -70.05 125.11 11.62 Favored 'Trans proline' 0 C--N 1.305 -1.72 0 C-N-CA 122.826 2.351 . . . . 0.0 112.188 179.02 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 559' ' ' ARG . . . . . 0.588 ' NH1' ' SG ' ' A' ' 457' ' ' CYS . 15.6 ptm180 -117.19 140.17 49.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.349 -176.392 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 560' ' ' GLN . . . . . . . . . . . . . 36.4 tp60 -78.57 116.19 18.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.638 176.239 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 561' ' ' TRP . . . . . 0.818 ' CD1' ' HB1' ' A' ' 510' ' ' ALA . 0.9 OUTLIER -59.99 136.7 58.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.337 -177.161 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.4 138.81 35.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.836 177.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 563' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -47.37 -43.23 23.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.48 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 564' ' ' ILE . . . . . 0.518 HG22 HE21 ' A' ' 568' ' ' GLN . 5.0 mm -74.07 -35.03 40.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.584 179.463 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -67.52 -37.01 82.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.558 -179.489 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 566' ' ' ILE . . . . . 0.556 HD11 ' HB2' ' A' ' 561' ' ' TRP . 96.7 mt -66.61 -50.19 68.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.68 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 61.8 t0 -61.77 -45.83 92.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.59 -179.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 568' ' ' GLN . . . . . 0.596 ' O ' ' HG2' ' A' ' 571' ' ' GLU . 43.1 mt-30 -63.39 -45.97 88.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.57 -179.266 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 569' ' ' PHE . . . . . 0.565 ' CE1' HD11 ' A' ' 455' ' ' LEU . 47.5 t80 -62.74 -42.71 99.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.495 -179.466 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 84.4 p -61.61 -27.75 68.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.483 178.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 571' ' ' GLU . . . . . 0.596 ' HG2' ' O ' ' A' ' 568' ' ' GLN . 3.9 pt-20 -66.49 -39.24 88.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.478 179.142 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 572' ' ' LEU . . . . . 0.584 ' N ' ' HG2' ' A' ' 571' ' ' GLU . 12.9 tp -59.1 -43.98 91.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.551 179.105 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 573' ' ' ALA . . . . . 0.533 ' O ' ' SD ' ' A' ' 540' ' ' MET . . . -65.58 -45.65 82.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.468 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 574' ' ' SER . . . . . . . . . . . . . 85.2 p -61.68 -32.01 72.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.529 179.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 31.9 m -56.34 -53.5 56.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.579 -179.042 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 576' ' ' GLY . . . . . 0.506 ' O ' ' N ' ' A' ' 580' ' ' LEU . . . -53.07 -38.77 56.48 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 19.0 p -58.73 -28.68 66.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.765 0.316 . . . . 0.0 110.488 -179.421 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 21.4 mt -68.14 -53.46 25.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.54 -179.512 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 579' ' ' VAL . . . . . 0.593 HG13 ' N ' ' A' ' 580' ' ' LEU . 10.9 p -85.06 -45.57 17.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.528 -178.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 580' ' ' LEU . . . . . 0.593 ' N ' HG13 ' A' ' 579' ' ' VAL . 38.8 tp -48.82 -40.52 29.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.534 -179.55 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -67.08 -53.38 31.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.608 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 582' ' ' ARG . . . . . . . . . . . . . 52.6 mtm180 -66.73 -35.2 79.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.676 -179.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 50.8 tp -73.51 -56.69 4.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.636 -179.396 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 584' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -49.5 -39.17 33.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.641 -179.332 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 585' ' ' PHE . . . . . 0.43 ' CE2' HG21 ' A' ' 589' ' ' THR . 72.4 t80 -73.01 -48.59 34.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.664 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 28.1 tp -50.58 -51.36 49.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.75 179.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 587' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -57.94 -37.43 74.09 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.659 179.065 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 588' ' ' GLN . . . . . 0.403 ' CA ' HE21 ' A' ' 588' ' ' GLN . 0.4 OUTLIER -64.61 -51.57 61.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.674 -179.139 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 589' ' ' THR . . . . . 0.43 HG21 ' CE2' ' A' ' 585' ' ' PHE . 71.0 p -60.39 -30.43 69.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.58 -178.376 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 590' ' ' ILE . . . . . . . . . . . . . 35.2 mt -64.24 -32.66 58.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.572 -179.021 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -65.26 -59.73 3.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.586 -179.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 26.6 t -63.17 -36.65 84.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.567 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 36.7 mt . . . . . 0 C--O 1.219 -0.532 0 CA-C-O 118.032 -0.985 . . . . 0.0 110.551 179.789 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 600' ' ' PVN . . . . . 0.813 H511 ' CD1' ' A' ' 499' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 429' ' ' MET . . . . . . . . . . . . . 90.1 mtp . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 430' ' ' ALA . . . . . . . . . . . . . . . -151.73 156.29 40.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.573 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -80.47 61.58 4.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.526 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 7.2 p -51.21 -34.86 15.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.556 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -57.74 -37.67 74.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.598 -179.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 12.3 tp -60.2 -40.74 91.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.588 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 44.3 m -61.72 -31.82 72.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.599 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 436' ' ' GLU . . . . . . . . . . . . . 27.3 tp10 -58.93 -8.14 1.29 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.644 -179.628 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 437' ' ' LEU . . . . . . . . . . . . . 39.3 mt -92.57 109.35 20.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.597 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 51.7 ttt85 -174.44 -13.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.582 -179.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 54.6 p30 -62.93 -178.51 0.22 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.615 -179.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 68.6 ttt180 -55.5 -33.77 64.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.542 -179.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -69.98 -33.69 72.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.683 -179.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -57.03 -55.25 37.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.72 -179.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 24.5 pt -59.04 -29.14 40.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.764 -179.29 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 444' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -79.17 -49.22 12.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.617 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -56.73 -25.56 54.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.661 179.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 446' ' ' THR . . . . . 0.468 ' O ' ' N ' ' A' ' 449' ' ' ALA . 98.0 m -71.06 -60.26 2.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.628 -179.319 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 447' ' ' LEU . . . . . 0.462 ' HG ' ' H ' ' A' ' 447' ' ' LEU . 16.6 mt -38.42 -55.66 1.35 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.591 -179.552 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 448' ' ' VAL . . . . . . . . . . . . . 7.7 p -61.14 -35.49 66.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.674 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 449' ' ' ALA . . . . . 0.468 ' N ' ' O ' ' A' ' 446' ' ' THR . . . -59.46 -46.98 87.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.681 179.473 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 450' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -68.51 -45.44 72.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.632 178.199 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . -48.29 -47.2 28.04 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 179.189 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 452' ' ' ARG . . . . . . . . . . . . . 68.9 ttp85 -56.62 -43.81 80.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.828 0.346 . . . . 0.0 110.665 179.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -77.27 -38.34 51.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.655 -179.28 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 39.3 mt -66.47 -59.07 3.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.649 -179.358 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 455' ' ' LEU . . . . . 0.557 HD21 ' HB2' ' A' ' 569' ' ' PHE . 88.7 mt -71.26 -26.77 63.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.549 179.2 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . 59.5 42.47 17.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.612 -175.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 457' ' ' CYS . . . . . 0.525 ' SG ' ' O ' ' A' ' 459' ' ' ARG . 40.2 t -94.2 138.61 32.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.429 -178.467 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 458' ' ' ASP . . . . . 0.815 ' H ' ' NE2' ' A' ' 554' ' ' GLN . 45.0 t0 -48.7 -32.86 9.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.601 178.814 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 459' ' ' ARG . . . . . 0.59 HH21 HG12 ' A' ' 478' ' ' VAL . 21.7 mtp-105 -147.14 144.97 29.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.751 -178.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 460' ' ' VAL . . . . . . . . . . . . . 7.5 p -150.88 145.02 16.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.276 178.474 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 461' ' ' ILE . . . . . . . . . . . . . 13.9 pt -144.45 153.17 15.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.871 -178.134 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 462' ' ' VAL . . . . . . . . . . . . . 93.0 t -113.52 134.19 57.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.345 177.439 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 463' ' ' TYR . . . . . 0.547 ' O ' ' CD1' ' A' ' 463' ' ' TYR . 0.0 OUTLIER -141.32 142.28 33.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.704 -177.913 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 464' ' ' ALA . . . . . 0.543 ' O ' HG22 ' A' ' 472' ' ' THR . . . -136.47 164.32 28.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.346 177.666 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 465' ' ' PHE . . . . . 0.487 ' CD2' ' O ' ' A' ' 465' ' ' PHE . 13.3 p90 -100.51 104.39 15.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.539 -179.178 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 466' ' ' ASP . . . . . 0.575 ' CG ' ' H ' ' A' ' 467' ' ' ASP . 35.9 t0 -72.45 -159.37 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.496 179.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 467' ' ' ASP . . . . . 0.575 ' H ' ' CG ' ' A' ' 466' ' ' ASP . 88.2 m-20 -92.5 14.14 17.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.618 -179.269 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 468' ' ' ASN . . . . . 0.459 ' O ' ' N ' ' A' ' 470' ' ' VAL . 0.6 OUTLIER -124.98 28.38 6.44 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.544 -178.484 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 469' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 46.83 15.77 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.629 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 470' ' ' VAL . . . . . 0.459 ' N ' ' O ' ' A' ' 468' ' ' ASN . 25.3 t -108.32 133.8 52.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.582 179.132 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -65.6 98.35 0.33 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 472' ' ' THR . . . . . 0.543 HG22 ' O ' ' A' ' 464' ' ' ALA . 0.0 OUTLIER -57.23 130.83 47.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.858 0.361 . . . . 0.0 110.613 179.701 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 473' ' ' VAL . . . . . 0.422 ' H ' HG22 ' A' ' 473' ' ' VAL . 3.1 m -78.61 79.67 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.532 -179.194 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 474' ' ' VAL . . . . . 0.439 HG23 ' H ' ' A' ' 474' ' ' VAL . 2.0 t -59.07 -67.16 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.631 178.775 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -150.7 141.42 22.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.56 179.052 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 476' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -125.59 131.69 52.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.611 179.171 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 23.1 t -134.89 118.66 17.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.474 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 478' ' ' VAL . . . . . 0.59 HG12 HH21 ' A' ' 459' ' ' ARG . 4.7 m -123.78 126.64 73.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.568 179.733 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 479' ' ' ALA . . . . . 0.499 ' HB2' ' O ' ' A' ' 458' ' ' ASP . . . -57.48 169.05 0.69 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.491 179.742 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 480' ' ' GLU . . . . . 0.535 ' H ' ' CD ' ' A' ' 480' ' ' GLU . 47.9 mp0 -61.72 143.75 55.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.58 -179.149 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 100.15 -30.55 9.89 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.871 -0.892 . . . . 0.0 110.871 178.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 482' ' ' TRP . . . . . . . . . . . . . 13.1 m95 -100.59 146.66 32.43 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 120.964 0.412 . . . . 0.0 110.668 178.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 483' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -78.28 168.39 21.74 Favored 'Trans proline' 0 C--N 1.304 -1.782 0 C-N-CA 122.889 2.393 . . . . 0.0 112.093 -178.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 484' ' ' GLN . . . . . 0.442 ' NE2' ' CG2' ' A' ' 478' ' ' VAL . 80.9 mm-40 -80.1 117.35 20.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.681 179.701 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -76.15 -10.5 59.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.491 -179.458 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 486' ' ' ARG . . . . . . . . . . . . . 71.0 ttt180 -54.5 -31.82 56.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.606 -179.367 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 487' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -68.57 -11.79 60.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.551 -179.183 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 488' ' ' GLN . . . . . 0.635 ' OE1' HD21 ' A' ' 530' ' ' LEU . 83.4 mt-30 -105.76 116.46 31.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.516 179.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 489' ' ' VAL . . . . . . . . . . . . . 91.0 t -89.86 103.65 14.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.554 179.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 490' ' ' ILE . . . . . 0.833 HG21 H912 ' A' ' 600' ' ' PVN . 4.9 pt -51.99 116.32 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.554 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 42.7 tp10 -78.87 -24.54 44.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.551 -179.016 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 492' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -59.97 122.37 65.48 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.538 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 493' ' ' PRO . . . . . 0.542 ' C ' ' H ' ' A' ' 495' ' ' PHE . 96.9 Cg_endo -79.75 -40.21 0.25 Allowed 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 122.917 2.412 . . . . 0.0 112.18 -179.551 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 494' ' ' CYS . . . . . 0.4 ' HB2' ' HN4' ' A' ' 600' ' ' PVN . 3.9 t 68.85 -35.42 0.3 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.569 -179.727 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 495' ' ' PHE . . . . . 0.542 ' H ' ' C ' ' A' ' 493' ' ' PRO . 68.2 t80 -56.91 -39.16 73.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.567 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 496' ' ' ARG . . . . . 0.419 ' O ' ' O ' ' A' ' 495' ' ' PHE . 64.2 mtp85 -47.51 176.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.573 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 497' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 56.59 -167.7 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.58 -179.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 498' ' ' HIS . . . . . . . . . . . . . 74.3 m80 -97.91 5.89 48.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.645 -179.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 499' ' ' TRP . . . . . 0.558 ' NE1' H522 ' A' ' 600' ' ' PVN . 13.1 m95 -52.1 -32.09 33.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.603 -179.728 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 500' ' ' VAL . . . . . 0.43 HG13 ' O ' ' A' ' 495' ' ' PHE . 19.4 m -56.95 -40.15 70.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.629 179.542 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 501' ' ' GLU . . . . . 0.423 ' N ' HG23 ' A' ' 500' ' ' VAL . 84.4 tt0 -63.64 -32.98 74.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.542 179.359 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 502' ' ' ALA . . . . . . . . . . . . . . . -56.11 -45.23 79.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.608 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 503' ' ' TYR . . . . . 0.419 ' CD1' ' CD2' ' A' ' 549' ' ' LEU . 75.0 m-85 -78.9 -26.18 43.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.589 179.262 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 10.9 tpp85 -62.36 -17.58 59.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.561 -179.284 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -105.81 -2.88 22.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.644 -179.098 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . 84.3 37.5 10.96 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.45 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 507' ' ' ARG . . . . . 0.566 HH12 ' NE2' ' A' ' 509' ' ' GLN . 57.4 ttt-85 -73.28 147.13 44.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.696 0.284 . . . . 0.0 110.6 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 78.9 mt -107.19 123.56 62.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.602 179.203 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 509' ' ' GLN . . . . . 0.566 ' NE2' HH12 ' A' ' 507' ' ' ARG . 6.4 tp-100 -112.74 118.07 33.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.503 -179.031 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 510' ' ' ALA . . . . . 0.74 ' HB1' ' CD1' ' A' ' 561' ' ' TRP . . . -127.86 101.16 6.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.589 178.123 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 511' ' ' THR . . . . . . . . . . . . . 4.7 m -110.3 105.15 14.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.567 -179.155 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 512' ' ' THR . . . . . . . . . . . . . 37.1 p -52.41 -20.71 3.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.515 179.304 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 513' ' ' ASP . . . . . 0.508 ' N ' ' OD1' ' A' ' 513' ' ' ASP . 17.2 p-10 -168.03 117.76 0.78 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.566 -179.073 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 514' ' ' ILE . . . . . 0.604 HG22 ' O ' ' A' ' 514' ' ' ILE . 92.1 mt -70.36 -1.27 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.551 178.553 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 515' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -69.9 -29.13 66.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.544 -178.076 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 18.5 pttp -94.72 29.1 2.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.55 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -129.78 141.46 50.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.535 -177.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . 41.36 44.09 3.86 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 176.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 519' ' ' LEU . . . . . 0.499 HD23 ' N ' ' A' ' 519' ' ' LEU . 1.5 mt -43.1 157.71 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.854 0.359 . . . . 0.0 110.594 178.063 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 520' ' ' THR . . . . . . . . . . . . . 2.9 m 68.14 -44.36 0.5 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.579 178.363 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 521' ' ' GLU . . . . . 0.487 ' H ' ' C ' ' A' ' 519' ' ' LEU . 61.0 tt0 -65.64 160.43 22.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.518 -179.581 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 522' ' ' CYS . . . . . 0.69 ' O ' ' CG ' ' A' ' 523' ' ' HIS . 1.5 p -60.71 126.77 28.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.497 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 523' ' ' HIS . . . . . 0.69 ' CG ' ' O ' ' A' ' 522' ' ' CYS . 14.5 m170 -172.06 -79.98 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.642 -178.569 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 524' ' ' LEU . . . . . 0.559 ' O ' ' N ' ' A' ' 528' ' ' ARG . 0.6 OUTLIER -47.76 -33.0 6.53 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.645 177.815 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 525' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -58.09 -41.52 83.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.718 -177.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 526' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -98.42 -8.81 26.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.6 -177.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 527' ' ' LEU . . . . . 0.62 ' O ' HG22 ' A' ' 532' ' ' VAL . 43.1 mt -106.86 -25.46 11.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.506 -178.271 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 528' ' ' ARG . . . . . 0.712 ' N ' ' CD ' ' A' ' 529' ' ' PRO . 10.0 tpt180 -66.57 -38.98 21.91 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.294 -178.098 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 529' ' ' PRO . . . . . 0.712 ' CD ' ' N ' ' A' ' 528' ' ' ARG . 31.9 Cg_exo -61.04 -44.81 22.38 Favored 'Trans proline' 0 C--N 1.305 -1.718 0 C-N-CA 122.983 2.455 . . . . 0.0 112.184 -178.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 530' ' ' LEU . . . . . 0.635 HD21 ' OE1' ' A' ' 488' ' ' GLN . 76.5 mt -70.64 -8.28 50.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.689 -179.383 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 531' ' ' LYS . . . . . 0.52 ' HZ2' ' C ' ' A' ' 530' ' ' LEU . 5.3 mtmp? 64.91 26.83 12.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.605 178.656 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 532' ' ' VAL . . . . . 0.661 HG23 ' O ' ' A' ' 532' ' ' VAL . 31.0 m -76.46 109.18 10.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.647 179.064 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 86.3 mtt180 -100.81 -14.4 18.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.434 -179.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 534' ' ' ALA . . . . . 0.677 ' HB2' ' HA ' ' A' ' 558' ' ' PRO . . . -127.83 136.93 52.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.141 -179.637 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 535' ' ' ASN . . . . . 0.67 HD21 H713 ' A' ' 600' ' ' PVN . 23.3 t30 -127.75 117.26 21.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.937 0.399 . . . . 0.0 111.178 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 536' ' ' LEU . . . . . . . . . . . . . 52.7 tp -130.47 128.31 40.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.988 178.206 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 50.5 t -131.07 147.62 33.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.999 0.428 . . . . 0.0 111.19 -178.089 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 538' ' ' VAL . . . . . 0.409 ' O ' HG23 ' A' ' 538' ' ' VAL . 18.4 m -139.69 132.17 15.08 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.057 178.543 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 539' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -72.83 137.32 26.84 Favored 'Trans proline' 0 C--N 1.304 -1.79 0 C-N-CA 122.734 2.289 . . . . 0.0 112.535 -175.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 540' ' ' MET . . . . . 0.514 ' SD ' ' O ' ' A' ' 573' ' ' ALA . 2.9 ttt -128.37 119.57 25.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.119 176.625 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 541' ' ' VAL . . . . . . . . . . . . . 23.4 m -124.3 154.25 31.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.029 0.443 . . . . 0.0 111.093 -176.024 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 12.9 mt -133.17 129.59 57.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.156 178.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 543' ' ' ASP . . . . . . . . . . . . . 61.5 t0 44.06 49.19 7.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.262 -178.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 544' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 61.07 41.98 13.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.362 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 545' ' ' GLN . . . . . . . . . . . . . 56.7 tp60 -147.9 133.01 18.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.498 179.543 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 546' ' ' LEU . . . . . . . . . . . . . 16.4 tp -73.4 129.92 39.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.536 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 547' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -110.22 -51.06 2.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.465 -178.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -171.58 -178.8 42.21 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.914 -0.875 . . . . 0.0 110.914 -178.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 549' ' ' LEU . . . . . 0.459 ' C ' HD12 ' A' ' 550' ' ' LEU . 3.5 mp -139.1 139.93 37.83 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.825 0.345 . . . . 0.0 110.545 -179.388 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 550' ' ' LEU . . . . . 0.684 ' N ' HD12 ' A' ' 550' ' ' LEU . 7.3 mp -93.27 124.68 37.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.317 178.58 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 551' ' ' ILE . . . . . 0.747 HD13 H813 ' A' ' 600' ' ' PVN . 4.7 mt -118.49 139.59 45.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.948 0.404 . . . . 0.0 110.836 -177.558 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -126.06 118.2 24.81 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.195 178.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 553' ' ' HIS . . . . . 0.508 ' CE1' ' CG2' ' A' ' 551' ' ' ILE . 47.1 m80 -111.99 129.39 56.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.825 -179.689 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 554' ' ' GLN . . . . . 0.815 ' NE2' ' H ' ' A' ' 458' ' ' ASP . 22.4 tp60 -89.95 118.01 29.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.649 174.556 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 555' ' ' ALA . . . . . 0.562 ' HB2' ' HD3' ' A' ' 459' ' ' ARG . . . -90.56 -5.5 55.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.514 -176.594 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 556' ' ' SER . . . . . . . . . . . . . 7.5 t -96.04 -31.26 13.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.5 -178.058 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 173.72 149.34 0.23 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.337 -178.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 558' ' ' PRO . . . . . 0.677 ' HA ' ' HB2' ' A' ' 534' ' ' ALA . 43.5 Cg_endo -69.4 124.49 11.29 Favored 'Trans proline' 0 C--N 1.303 -1.819 0 C-N-CA 122.778 2.319 . . . . 0.0 112.239 178.826 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -118.18 140.43 49.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.329 -176.47 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 560' ' ' GLN . . . . . . . . . . . . . 65.3 tp60 -78.62 119.4 21.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.676 176.419 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 561' ' ' TRP . . . . . 0.74 ' CD1' ' HB1' ' A' ' 510' ' ' ALA . 0.7 OUTLIER -62.15 143.01 57.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.351 -177.536 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 74.6 mm-40 -87.66 142.06 28.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.796 177.36 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 563' ' ' GLU . . . . . . . . . . . . . 44.9 tp10 -48.48 -40.36 26.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.531 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 564' ' ' ILE . . . . . 0.773 HD13 ' N ' ' A' ' 564' ' ' ILE . 0.0 OUTLIER -75.15 -32.95 27.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.546 -179.81 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 565' ' ' GLU . . . . . 0.466 ' OE1' HD23 ' A' ' 455' ' ' LEU . 46.6 mm-40 -66.62 -37.86 85.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.605 -179.325 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 566' ' ' ILE . . . . . . . . . . . . . 97.4 mt -67.7 -47.33 80.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.648 179.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -64.1 -49.03 73.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.566 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 568' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -61.69 -44.19 97.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.56 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 569' ' ' PHE . . . . . 0.557 ' HB2' HD21 ' A' ' 455' ' ' LEU . 39.4 t80 -66.05 -43.6 87.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.54 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 26.7 m -59.61 -36.27 75.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.487 178.07 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -60.41 -39.48 87.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.461 177.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 15.5 tp -58.08 -44.7 87.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.516 178.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 573' ' ' ALA . . . . . 0.514 ' O ' ' SD ' ' A' ' 540' ' ' MET . . . -64.98 -45.13 86.95 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.489 179.691 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 574' ' ' SER . . . . . . . . . . . . . 23.0 t -57.94 -30.15 65.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.533 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 25.6 m -62.1 -44.81 95.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.611 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -49.33 -39.97 29.43 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 178.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 29.6 m -55.7 -40.24 72.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.763 0.316 . . . . 0.0 110.579 179.046 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 45.9 mt -55.22 -48.98 73.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.589 178.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 579' ' ' VAL . . . . . 0.411 ' O ' ' CB ' ' A' ' 583' ' ' LEU . 88.3 t -72.96 -57.19 7.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.514 -178.733 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 580' ' ' LEU . . . . . 0.433 ' O ' ' CB ' ' A' ' 584' ' ' HIS . 9.8 mp -50.18 -47.81 54.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.565 -178.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -47.15 -70.46 0.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.651 -179.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 582' ' ' ARG . . . . . . . . . . . . . 80.0 mtp180 -66.23 -46.79 75.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.712 -179.176 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 583' ' ' LEU . . . . . 0.411 ' CB ' ' O ' ' A' ' 579' ' ' VAL . 39.4 tp -55.39 -59.03 5.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.613 -179.228 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 584' ' ' HIS . . . . . 0.503 ' O ' ' NE2' ' A' ' 588' ' ' GLN . 83.1 t60 -49.29 -30.48 7.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.693 -179.343 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 585' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -76.49 -50.05 14.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.647 -179.195 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 89.5 mt -62.02 -42.04 98.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.613 -179.199 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 587' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -60.82 -48.99 79.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.593 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 588' ' ' GLN . . . . . 0.626 ' NE2' ' N ' ' A' ' 588' ' ' GLN . 0.2 OUTLIER -69.69 -45.97 67.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.679 -179.879 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 589' ' ' THR . . . . . . . . . . . . . 60.4 m -58.31 -34.44 70.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.585 -178.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 590' ' ' ILE . . . . . . . . . . . . . 11.4 mt -58.22 -43.6 86.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.593 -179.202 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -63.94 -27.87 69.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.535 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 15.1 m -70.61 -9.65 57.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.564 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 35.4 mt . . . . . 0 C--O 1.219 -0.545 0 CA-C-O 118.055 -0.974 . . . . 0.0 110.627 -179.915 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 600' ' ' PVN . . . . . 0.833 H912 HG21 ' A' ' 490' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 429' ' ' MET . . . . . . . . . . . . . 9.5 ptt? . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 430' ' ' ALA . . . . . . . . . . . . . . . -62.14 -32.13 72.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.581 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -71.63 130.16 40.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.518 -179.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . 0.567 HG12 ' H ' ' A' ' 433' ' ' GLN . 0.8 OUTLIER 45.8 -151.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.592 179.732 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 433' ' ' GLN . . . . . 0.567 ' H ' HG12 ' A' ' 432' ' ' VAL . 77.1 mt-30 67.17 -44.03 0.45 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.576 179.704 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 434' ' ' LEU . . . . . 0.494 ' H ' ' C ' ' A' ' 432' ' ' VAL . 84.4 mt -54.89 -45.62 74.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.588 -179.496 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 32.3 m -64.82 -41.41 95.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.547 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 436' ' ' GLU . . . . . . . . . . . . . 21.3 tp10 -83.01 12.58 4.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.566 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 437' ' ' LEU . . . . . . . . . . . . . 14.6 tp -69.18 109.05 3.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.594 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 90.3 mtt180 -150.39 8.42 0.61 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.603 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -67.8 137.16 55.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.605 -179.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 40.1 ttp180 -61.63 -33.01 73.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.585 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 2.3 mm100 -69.88 -33.39 72.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.633 -179.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -56.33 -55.69 30.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.626 -179.117 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 20.7 pt -58.71 -32.56 46.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.687 -178.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 444' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -78.73 -50.14 11.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.654 -179.497 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -55.93 -24.44 37.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.684 179.597 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 446' ' ' THR . . . . . 0.518 ' O ' ' HB3' ' A' ' 449' ' ' ALA . 98.9 m -71.41 -59.72 2.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.728 -179.591 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 447' ' ' LEU . . . . . 0.413 ' H ' ' HG ' ' A' ' 447' ' ' LEU . 15.5 mt -38.84 -58.06 1.14 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.62 -179.743 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 448' ' ' VAL . . . . . . . . . . . . . 7.0 p -57.68 -36.99 56.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.642 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 449' ' ' ALA . . . . . 0.518 ' HB3' ' O ' ' A' ' 446' ' ' THR . . . -56.04 -43.19 77.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.681 179.325 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 450' ' ' LYS . . . . . 0.475 ' NZ ' ' CG2' ' A' ' 446' ' ' THR . 25.1 mttp -73.9 -37.05 64.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.598 178.336 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . -51.97 -52.7 33.82 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.212 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 452' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -60.41 -40.2 90.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.791 0.329 . . . . 0.0 110.623 -179.021 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -74.06 -38.91 63.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.597 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 39.0 mt -68.51 -56.85 6.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.533 179.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 455' ' ' LEU . . . . . 0.577 HD21 ' HB2' ' A' ' 569' ' ' PHE . 95.1 mt -70.35 -25.39 63.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.564 179.386 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . 59.66 44.06 14.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.643 -176.273 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 457' ' ' CYS . . . . . 0.577 ' C ' HE22 ' A' ' 554' ' ' GLN . 68.2 m -91.47 -159.15 0.61 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.515 -179.833 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 458' ' ' ASP . . . . . 0.471 ' N ' ' NE2' ' A' ' 554' ' ' GLN . 50.7 t0 -114.26 -27.11 7.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.668 -178.398 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 459' ' ' ARG . . . . . 0.462 HH21 ' CG1' ' A' ' 478' ' ' VAL . 74.2 mtp180 -151.44 147.41 26.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.77 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 460' ' ' VAL . . . . . 0.49 HG13 ' O ' ' A' ' 551' ' ' ILE . 18.5 t -147.94 142.46 19.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.248 179.265 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 461' ' ' ILE . . . . . . . . . . . . . 9.1 tt -137.74 141.82 37.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.84 -179.319 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 462' ' ' VAL . . . . . 0.437 ' HB ' ' H ' ' A' ' 475' ' ' ALA . 23.3 t -106.51 128.98 60.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.362 179.374 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 463' ' ' TYR . . . . . 0.449 ' CD1' ' C ' ' A' ' 463' ' ' TYR . 0.2 OUTLIER -145.92 146.68 31.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.71 -178.38 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 464' ' ' ALA . . . . . 0.496 ' O ' HG22 ' A' ' 472' ' ' THR . . . -137.77 167.27 22.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.354 178.348 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 465' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -96.01 100.6 12.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.565 -179.15 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 466' ' ' ASP . . . . . 0.564 ' CG ' ' H ' ' A' ' 467' ' ' ASP . 32.8 t0 -73.49 -159.45 0.07 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.602 178.346 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 467' ' ' ASP . . . . . 0.564 ' H ' ' CG ' ' A' ' 466' ' ' ASP . 94.5 m-20 -92.42 14.53 16.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.484 -179.528 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 468' ' ' ASN . . . . . 0.437 ' C ' ' N ' ' A' ' 470' ' ' VAL . 0.4 OUTLIER -126.57 28.24 5.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.596 -178.649 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 469' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 46.48 18.12 0.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.634 179.619 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 470' ' ' VAL . . . . . 0.437 ' N ' ' C ' ' A' ' 468' ' ' ASN . 9.9 p -108.87 141.52 23.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.55 179.512 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -71.88 86.46 0.46 Allowed Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 472' ' ' THR . . . . . 0.496 HG22 ' O ' ' A' ' 464' ' ' ALA . 0.1 OUTLIER -46.38 139.04 5.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.814 0.34 . . . . 0.0 110.56 179.639 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 473' ' ' VAL . . . . . . . . . . . . . 79.6 t -85.6 91.82 3.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.536 -179.048 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 2.4 t -75.55 -68.15 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.59 178.455 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 475' ' ' ALA . . . . . 0.437 ' H ' ' HB ' ' A' ' 462' ' ' VAL . . . -151.14 141.7 22.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.534 178.793 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 476' ' ' GLU . . . . . 0.664 ' OE2' ' HB3' ' A' ' 485' ' ' ALA . 79.1 tt0 -129.0 135.91 49.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.639 179.386 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 60.0 p -133.84 115.56 14.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.597 179.619 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 478' ' ' VAL . . . . . 0.517 HG23 ' O ' ' A' ' 478' ' ' VAL . 5.9 m -122.85 126.87 74.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.562 -179.703 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 479' ' ' ALA . . . . . . . . . . . . . . . -57.17 166.78 1.02 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.412 179.404 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 22.2 pt-20 -61.34 144.93 53.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.616 -179.308 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 100.33 -30.97 9.08 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.836 -0.906 . . . . 0.0 110.836 177.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 482' ' ' TRP . . . . . . . . . . . . . 28.5 m95 -97.3 141.4 22.97 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 120.928 0.394 . . . . 0.0 110.619 179.345 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 483' ' ' PRO . . . . . 0.46 ' CG ' ' HZ1' ' A' ' 531' ' ' LYS . 68.8 Cg_endo -74.68 167.56 26.83 Favored 'Trans proline' 0 C--N 1.304 -1.773 0 C-N-CA 122.824 2.349 . . . . 0.0 112.089 -179.347 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -84.22 123.99 30.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.63 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 485' ' ' ALA . . . . . 0.664 ' HB3' ' OE2' ' A' ' 476' ' ' GLU . . . -75.64 -8.79 57.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.568 -179.494 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 486' ' ' ARG . . . . . 0.414 ' N ' ' OE1' ' A' ' 476' ' ' GLU . 26.6 ttm180 -49.95 -34.52 20.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.514 -179.523 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 487' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -65.45 -18.94 65.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.519 179.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 488' ' ' GLN . . . . . 0.496 ' OE1' HD21 ' A' ' 530' ' ' LEU . 88.0 mt-30 -108.23 114.79 28.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.545 179.246 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 489' ' ' VAL . . . . . . . . . . . . . 83.9 t -92.42 113.5 27.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.56 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 490' ' ' ILE . . . . . 0.905 HD13 H912 ' A' ' 600' ' ' PVN . 44.1 mt -45.16 103.77 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.561 179.556 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -79.63 -31.43 41.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.587 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 492' ' ' ASP . . . . . 0.486 ' CG ' H322 ' A' ' 600' ' ' PVN . 39.2 t0 -58.57 110.8 2.88 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.581 -179.349 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 493' ' ' PRO . . . . . 0.55 ' O ' ' N ' ' A' ' 495' ' ' PHE . 96.7 Cg_endo -85.21 -48.75 0.04 OUTLIER 'Trans proline' 0 C--N 1.306 -1.707 0 C-N-CA 122.894 2.396 . . . . 0.0 112.216 179.541 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 494' ' ' CYS . . . . . 0.544 ' SG ' ' O ' ' A' ' 493' ' ' PRO . 9.7 p 44.34 15.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.582 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 495' ' ' PHE . . . . . 0.55 ' N ' ' O ' ' A' ' 493' ' ' PRO . 47.5 t80 -74.9 -45.9 39.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.594 179.718 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 76.8 mtp180 -97.81 88.81 4.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.582 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 497' ' ' GLU . . . . . 0.489 ' OE1' H413 ' A' ' 600' ' ' PVN . 87.0 tt0 -168.51 -84.13 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.568 179.74 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 498' ' ' HIS . . . . . 0.54 ' CE1' ' OE1' ' A' ' 501' ' ' GLU . 50.3 t60 -172.23 -24.08 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.61 -179.766 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 499' ' ' TRP . . . . . 0.618 ' CE3' H511 ' A' ' 600' ' ' PVN . 57.9 t-105 -56.33 -35.01 67.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.525 -179.556 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 500' ' ' VAL . . . . . 0.478 HG21 ' O ' ' A' ' 495' ' ' PHE . 77.5 t -51.08 -39.91 20.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.61 179.746 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 501' ' ' GLU . . . . . 0.54 ' OE1' ' CE1' ' A' ' 498' ' ' HIS . 87.1 tt0 -60.83 -29.09 69.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.573 179.57 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 502' ' ' ALA . . . . . 0.429 ' HB3' ' O ' ' A' ' 499' ' ' TRP . . . -57.41 -49.55 75.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.545 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 503' ' ' TYR . . . . . 0.44 ' OH ' H151 ' A' ' 600' ' ' PVN . 50.6 m-85 -77.2 -29.42 54.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.594 179.403 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 57.1 ttp180 -54.44 -26.28 29.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.592 -179.705 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 505' ' ' GLN . . . . . 0.411 ' OE1' ' NE ' ' A' ' 507' ' ' ARG . 41.3 tt0 -83.69 -8.98 59.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.585 -179.277 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . 77.57 -7.82 37.95 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 179.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 507' ' ' ARG . . . . . 0.58 ' HG2' ' H ' ' A' ' 508' ' ' ILE . 15.0 ttm180 -50.39 -179.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.778 0.323 . . . . 0.0 110.552 -179.132 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 508' ' ' ILE . . . . . 0.58 ' H ' ' HG2' ' A' ' 507' ' ' ARG . 81.0 mt -120.99 147.63 24.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.561 179.769 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 509' ' ' GLN . . . . . . . . . . . . . 61.9 tp60 -122.28 122.92 40.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.545 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 510' ' ' ALA . . . . . 0.795 ' HB1' ' NE1' ' A' ' 561' ' ' TRP . . . -128.15 100.68 5.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.599 179.325 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 511' ' ' THR . . . . . . . . . . . . . 5.1 m -111.24 104.37 12.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.608 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 512' ' ' THR . . . . . . . . . . . . . 40.1 p -50.51 -20.38 1.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.474 179.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 513' ' ' ASP . . . . . 0.503 ' N ' ' OD1' ' A' ' 513' ' ' ASP . 9.0 p30 -168.48 118.15 0.74 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.57 -179.211 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 514' ' ' ILE . . . . . 0.569 HG22 ' O ' ' A' ' 514' ' ' ILE . 69.7 mt -71.24 -0.61 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.429 178.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 515' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -73.4 -30.19 63.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.484 -178.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 16.1 pttp -99.24 29.54 3.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.542 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -129.01 142.5 50.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.605 -177.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . 42.3 46.4 5.44 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 177.211 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 519' ' ' LEU . . . . . 0.451 HD23 ' N ' ' A' ' 519' ' ' LEU . 3.8 mt -47.48 170.4 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.793 0.33 . . . . 0.0 110.635 178.101 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 520' ' ' THR . . . . . . . . . . . . . 7.4 p 47.1 35.18 3.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.522 178.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 49.0 tt0 -146.32 161.74 39.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.496 179.32 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 522' ' ' CYS . . . . . 0.671 ' O ' ' CG ' ' A' ' 523' ' ' HIS . 0.8 OUTLIER -62.19 125.27 23.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.533 178.655 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 523' ' ' HIS . . . . . 0.671 ' CG ' ' O ' ' A' ' 522' ' ' CYS . 15.7 m170 -170.96 -80.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.665 -178.668 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 524' ' ' LEU . . . . . 0.595 ' O ' ' HB2' ' A' ' 528' ' ' ARG . 0.6 OUTLIER -47.31 -32.9 5.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.568 177.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 525' ' ' ASN . . . . . . . . . . . . . 55.6 t-20 -55.68 -43.58 76.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.654 -178.074 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 526' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -102.07 -8.3 21.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.571 -179.463 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 527' ' ' LEU . . . . . 0.613 ' O ' HG22 ' A' ' 532' ' ' VAL . 14.2 mt -104.34 -29.88 10.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.602 -177.352 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 528' ' ' ARG . . . . . 0.691 ' N ' ' CD ' ' A' ' 529' ' ' PRO . 0.5 OUTLIER -66.84 -41.6 38.32 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.319 -177.474 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 529' ' ' PRO . . . . . 0.691 ' CD ' ' N ' ' A' ' 528' ' ' ARG . 31.2 Cg_exo -57.4 -45.03 37.27 Favored 'Trans proline' 0 C--N 1.304 -1.79 0 C-N-CA 122.905 2.404 . . . . 0.0 112.232 -178.61 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 530' ' ' LEU . . . . . 0.554 ' HB2' HG13 ' A' ' 532' ' ' VAL . 61.2 mt -68.41 -6.84 26.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.635 -179.664 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 531' ' ' LYS . . . . . 0.46 ' HZ1' ' CG ' ' A' ' 483' ' ' PRO . 9.3 mtmt 62.96 27.17 15.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.529 178.065 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 532' ' ' VAL . . . . . 0.708 HG23 ' O ' ' A' ' 532' ' ' VAL . 23.7 m -75.71 106.79 5.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.605 178.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -93.73 -13.51 27.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.374 -179.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 534' ' ' ALA . . . . . 0.648 ' HB2' ' HA ' ' A' ' 558' ' ' PRO . . . -134.31 141.05 46.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.116 -179.426 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 535' ' ' ASN . . . . . 0.426 ' ND2' H712 ' A' ' 600' ' ' PVN . 26.7 t-20 -128.28 119.11 24.48 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.694 -0.402 . . . . 0.0 111.14 -179.658 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 536' ' ' LEU . . . . . . . . . . . . . 58.7 tp -131.58 128.02 38.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.948 177.442 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 537' ' ' VAL . . . . . 0.76 HG22 HD12 ' A' ' 551' ' ' ILE . 53.2 t -129.17 148.22 33.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.99 0.424 . . . . 0.0 111.211 -177.341 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 538' ' ' VAL . . . . . 0.624 HG23 ' O ' ' A' ' 538' ' ' VAL . 27.1 m -145.42 104.84 4.33 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.055 177.234 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 539' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -74.98 140.71 25.82 Favored 'Trans proline' 0 C--N 1.304 -1.804 0 C-N-CA 122.77 2.313 . . . . 0.0 112.462 -173.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 540' ' ' MET . . . . . . . . . . . . . 9.1 ptm -128.69 92.28 3.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.04 176.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 541' ' ' VAL . . . . . . . . . . . . . 26.3 m -82.56 154.58 3.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.091 0.472 . . . . 0.0 111.1 -177.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 542' ' ' ILE . . . . . 0.604 HD11 ' CB ' ' A' ' 577' ' ' SER . 39.3 mm -130.03 128.48 64.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.125 179.019 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 543' ' ' ASP . . . . . 0.489 ' OD2' ' CZ ' ' A' ' 585' ' ' PHE . 84.4 m-20 50.35 49.07 21.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.284 -179.324 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 544' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 58.61 40.4 23.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.433 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 545' ' ' GLN . . . . . 0.468 ' O ' ' N ' ' A' ' 542' ' ' ILE . 50.7 tt0 -149.49 147.92 28.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.521 179.764 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 546' ' ' LEU . . . . . . . . . . . . . 12.8 mt -76.66 120.36 21.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.573 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 547' ' ' PHE . . . . . 0.558 ' CE1' HD23 ' A' ' 580' ' ' LEU . 21.9 t80 -98.65 -63.08 1.16 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.492 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 548' ' ' GLY . . . . . 0.463 ' C ' HD12 ' A' ' 549' ' ' LEU . . . -153.66 173.8 32.32 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 549' ' ' LEU . . . . . 0.463 HD12 ' C ' ' A' ' 548' ' ' GLY . 5.0 mp -144.29 130.26 19.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.8 0.333 . . . . 0.0 110.524 -179.62 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 550' ' ' LEU . . . . . 0.668 ' N ' HD12 ' A' ' 550' ' ' LEU . 7.9 mp -93.62 117.14 29.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.303 179.293 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 551' ' ' ILE . . . . . 0.76 HD12 HG22 ' A' ' 537' ' ' VAL . 2.8 mm -113.78 137.63 46.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.851 -178.107 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -124.38 113.92 18.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.219 178.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 553' ' ' HIS . . . . . 0.482 ' CE1' ' CG2' ' A' ' 551' ' ' ILE . 61.9 m80 -109.19 128.63 55.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.965 0.412 . . . . 0.0 110.783 -179.505 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 554' ' ' GLN . . . . . 0.577 HE22 ' C ' ' A' ' 457' ' ' CYS . 23.5 tp60 -88.71 117.22 27.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.683 175.014 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 555' ' ' ALA . . . . . 0.402 ' H ' ' HB3' ' A' ' 458' ' ' ASP . . . -92.24 -7.11 49.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.397 -176.719 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 556' ' ' SER . . . . . . . . . . . . . 82.6 p -94.16 -31.93 13.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.467 -177.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 173.68 150.76 0.24 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.456 -178.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 558' ' ' PRO . . . . . 0.648 ' HA ' ' HB2' ' A' ' 534' ' ' ALA . 54.2 Cg_endo -70.65 124.07 10.38 Favored 'Trans proline' 0 C--N 1.304 -1.781 0 C-N-CA 122.823 2.349 . . . . 0.0 112.212 179.013 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 559' ' ' ARG . . . . . 0.569 ' NH1' ' SG ' ' A' ' 457' ' ' CYS . 14.3 ptm180 -116.61 139.92 49.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.356 -176.558 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 560' ' ' GLN . . . . . 0.521 ' NE2' ' N ' ' A' ' 561' ' ' TRP . 30.0 tp60 -77.72 116.43 18.25 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.684 176.263 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 561' ' ' TRP . . . . . 0.795 ' NE1' ' HB1' ' A' ' 510' ' ' ALA . 1.1 m95 -59.05 145.38 42.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.344 -177.202 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -91.64 137.86 32.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.758 177.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 563' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -46.4 -42.89 15.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.463 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 564' ' ' ILE . . . . . 0.503 HG22 HE21 ' A' ' 568' ' ' GLN . 5.0 mm -74.59 -35.24 37.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.517 179.653 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -67.13 -36.67 82.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.542 -179.062 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 566' ' ' ILE . . . . . 0.602 HD11 ' HB2' ' A' ' 561' ' ' TRP . 98.7 mt -69.42 -47.71 71.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.636 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -61.19 -45.46 94.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.514 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 568' ' ' GLN . . . . . 0.503 HE21 HG22 ' A' ' 564' ' ' ILE . 47.4 mt-30 -64.89 -42.74 94.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.545 -179.448 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 569' ' ' PHE . . . . . 0.577 ' HB2' HD21 ' A' ' 455' ' ' LEU . 45.9 t80 -64.02 -42.94 96.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.559 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 24.5 t -60.74 -40.12 91.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.568 177.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 88.3 mt-10 -57.1 -40.4 76.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.512 177.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 13.6 tp -59.37 -45.24 91.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.496 178.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . -65.3 -45.76 83.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.46 179.581 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 574' ' ' SER . . . . . . . . . . . . . 86.2 p -62.51 -31.76 72.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.63 179.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 35.2 m -53.37 -55.69 22.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.528 -178.505 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -58.32 -40.08 93.54 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 -179.655 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 577' ' ' SER . . . . . 0.604 ' CB ' HD11 ' A' ' 542' ' ' ILE . 0.1 OUTLIER -54.87 -36.6 65.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.736 0.303 . . . . 0.0 110.471 -179.076 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 94.2 mt -58.83 -52.89 63.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.577 -178.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 97.7 t -72.53 -46.12 56.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.525 -179.533 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 580' ' ' LEU . . . . . 0.558 HD23 ' CE1' ' A' ' 547' ' ' PHE . 6.0 mp -53.67 -35.63 61.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.541 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -59.47 -54.42 46.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.658 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 582' ' ' ARG . . . . . . . . . . . . . 84.1 mtm-85 -72.07 -38.51 69.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.724 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 27.7 tp -67.09 -49.29 65.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.601 -179.284 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 584' ' ' HIS . . . . . . . . . . . . . 84.2 t60 -50.04 -43.84 51.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.676 -178.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 585' ' ' PHE . . . . . 0.489 ' CZ ' ' OD2' ' A' ' 543' ' ' ASP . 17.5 m-85 -78.41 -48.76 14.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.601 -179.064 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 27.9 tp -49.54 -51.88 33.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.669 -179.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 587' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -60.34 -39.32 86.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.607 179.072 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 588' ' ' GLN . . . . . 0.438 HE21 ' CA ' ' A' ' 588' ' ' GLN . 0.2 OUTLIER -64.02 -53.19 53.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.694 -179.339 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 589' ' ' THR . . . . . . . . . . . . . 73.6 p -59.9 -28.88 67.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.633 -178.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 590' ' ' ILE . . . . . . . . . . . . . 26.9 mt -68.72 -28.53 40.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.605 -179.341 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -66.63 -30.59 70.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.541 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 71.2 m -78.33 -0.65 29.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.527 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 25.6 tp . . . . . 0 C--O 1.219 -0.514 0 CA-C-O 117.956 -1.021 . . . . 0.0 110.574 179.767 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 600' ' ' PVN . . . . . 0.905 H912 HD13 ' A' ' 490' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 429' ' ' MET . . . . . . . . . . . . . 65.3 mtt . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 430' ' ' ALA . . . . . . . . . . . . . . . -161.2 80.65 0.61 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.588 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -80.35 111.06 16.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.568 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . 0.565 HG13 ' N ' ' A' ' 433' ' ' GLN . 10.3 p -100.18 -44.96 11.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.553 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 433' ' ' GLN . . . . . 0.565 ' N ' HG13 ' A' ' 432' ' ' VAL . 62.2 tt0 -59.99 -37.79 80.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.587 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 38.1 tp -55.11 -40.54 70.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.611 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 97.0 p -65.77 -31.76 72.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.525 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 436' ' ' GLU . . . . . . . . . . . . . 22.0 tp10 -75.19 3.08 9.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.54 179.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 437' ' ' LEU . . . . . . . . . . . . . 23.3 tp -72.56 124.65 25.67 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.581 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 22.3 ttm180 -172.62 -0.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.642 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -58.65 144.75 42.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.627 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -58.44 -32.0 68.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.596 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 3.3 mm100 -68.31 -32.34 72.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.657 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -61.18 -54.46 44.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.653 -179.493 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 21.3 pt -61.03 -35.13 63.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.728 -179.444 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 444' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -77.67 -50.99 11.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.73 -179.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -55.96 -23.01 29.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.735 179.178 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 446' ' ' THR . . . . . 0.495 ' O ' ' HB3' ' A' ' 449' ' ' ALA . 51.5 m -72.2 -58.38 3.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.546 -179.635 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 447' ' ' LEU . . . . . 0.404 ' HG ' ' H ' ' A' ' 447' ' ' LEU . 16.5 mt -39.23 -57.62 1.32 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.609 -179.768 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 448' ' ' VAL . . . . . . . . . . . . . 6.3 p -58.01 -37.76 63.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.654 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 449' ' ' ALA . . . . . 0.495 ' HB3' ' O ' ' A' ' 446' ' ' THR . . . -56.54 -44.94 81.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.695 178.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 450' ' ' LYS . . . . . . . . . . . . . 56.0 mttm -71.09 -41.73 70.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.608 177.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . -49.25 -50.33 29.03 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.931 -0.867 . . . . 0.0 110.931 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 452' ' ' ARG . . . . . . . . . . . . . 68.5 ttp85 -56.85 -43.37 81.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.806 0.336 . . . . 0.0 110.627 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 14.6 tm-20 -75.87 -36.37 59.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.627 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 45.6 mt -68.6 -58.7 3.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.569 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 455' ' ' LEU . . . . . 0.569 HD11 ' CD1' ' A' ' 569' ' ' PHE . 96.3 mt -70.84 -25.22 62.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.546 179.407 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . 60.43 43.46 13.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.661 -176.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 4.9 t -91.98 -159.33 0.64 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.428 -179.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 458' ' ' ASP . . . . . 0.422 ' HB3' ' H ' ' A' ' 555' ' ' ALA . 44.7 t0 -115.91 -27.95 6.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.625 -178.423 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 459' ' ' ARG . . . . . . . . . . . . . 6.8 ttp180 -148.9 144.43 26.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.671 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 460' ' ' VAL . . . . . . . . . . . . . 35.4 t -148.51 144.39 18.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.285 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 461' ' ' ILE . . . . . . . . . . . . . 8.3 tt -140.73 144.15 27.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.886 0.374 . . . . 0.0 110.85 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 462' ' ' VAL . . . . . 0.423 ' HB ' ' H ' ' A' ' 475' ' ' ALA . 23.6 t -107.32 131.57 57.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.279 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 463' ' ' TYR . . . . . 0.859 ' CE1' HD11 ' A' ' 551' ' ' ILE . 1.2 p90 -146.42 144.95 30.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.772 -178.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 464' ' ' ALA . . . . . 0.527 ' O ' HG22 ' A' ' 472' ' ' THR . . . -135.4 164.08 28.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.411 179.22 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 465' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -99.27 101.73 13.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.524 -178.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 466' ' ' ASP . . . . . 0.504 ' OD1' HG21 ' A' ' 472' ' ' THR . 70.2 m-20 -73.89 -158.22 0.06 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.517 178.022 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 467' ' ' ASP . . . . . 0.4 ' H ' ' HB3' ' A' ' 466' ' ' ASP . 86.1 m-20 -88.85 16.86 6.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.506 -179.507 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 468' ' ' ASN . . . . . 0.419 ' C ' ' N ' ' A' ' 470' ' ' VAL . 1.2 m-20 -127.44 22.98 6.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.563 -179.067 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 469' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 48.31 18.5 0.16 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.54 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 470' ' ' VAL . . . . . 0.419 ' N ' ' C ' ' A' ' 468' ' ' ASN . 9.6 p -106.12 139.1 28.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.563 179.675 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -73.87 93.35 0.74 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 472' ' ' THR . . . . . 0.527 HG22 ' O ' ' A' ' 464' ' ' ALA . 0.1 OUTLIER -55.97 147.05 20.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.717 0.294 . . . . 0.0 110.647 179.925 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 473' ' ' VAL . . . . . . . . . . . . . 39.6 t -89.73 77.43 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.503 -179.345 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 2.3 t -60.15 -67.32 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.662 178.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 475' ' ' ALA . . . . . 0.423 ' H ' ' HB ' ' A' ' 462' ' ' VAL . . . -150.14 140.23 22.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.526 179.201 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 476' ' ' GLU . . . . . 0.573 ' OE2' ' N ' ' A' ' 485' ' ' ALA . 67.3 tt0 -128.64 136.13 50.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.598 179.715 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 11.6 t -135.44 116.76 14.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.492 179.467 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 478' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 478' ' ' VAL . 12.4 m -122.45 127.08 74.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.581 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 479' ' ' ALA . . . . . . . . . . . . . . . -58.3 166.79 1.54 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.534 179.552 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 480' ' ' GLU . . . . . 0.544 ' H ' ' CD ' ' A' ' 480' ' ' GLU . 46.8 mp0 -61.26 144.59 53.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.555 -179.238 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 100.42 -31.1 8.91 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 177.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 482' ' ' TRP . . . . . . . . . . . . . 16.3 m95 -98.78 138.99 20.77 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 120.902 0.382 . . . . 0.0 110.711 178.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 483' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -74.17 166.61 29.16 Favored 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.824 2.349 . . . . 0.0 112.04 -179.524 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -80.11 116.21 20.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.629 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 485' ' ' ALA . . . . . 0.573 ' N ' ' OE2' ' A' ' 476' ' ' GLU . . . -76.24 -9.96 59.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.565 -179.456 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 486' ' ' ARG . . . . . 0.554 ' N ' ' OE1' ' A' ' 476' ' ' GLU . 13.1 ptm180 -51.91 -25.16 7.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.606 -179.338 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 487' ' ' ASP . . . . . . . . . . . . . 51.1 t0 -70.63 -10.39 59.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.487 -179.518 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 96.2 mm-40 -106.4 113.88 27.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.604 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 489' ' ' VAL . . . . . 0.523 HG22 ' N ' ' A' ' 490' ' ' ILE . 13.8 p -69.03 160.68 4.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.524 179.652 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 490' ' ' ILE . . . . . 0.523 ' N ' HG22 ' A' ' 489' ' ' VAL . 25.2 mm -105.12 92.73 2.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.574 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -80.54 -31.47 37.01 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.589 -177.393 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 492' ' ' ASP . . . . . 0.616 ' OD2' H322 ' A' ' 600' ' ' PVN . 30.5 t0 -58.88 113.03 5.87 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.562 -179.222 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 493' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -83.83 -164.12 0.24 Allowed 'Trans proline' 0 C--N 1.305 -1.736 0 C-N-CA 122.947 2.431 . . . . 0.0 112.213 179.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 494' ' ' CYS . . . . . . . . . . . . . 49.2 t -156.7 -40.24 0.07 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.587 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 495' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -55.11 -41.9 72.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.579 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -56.06 -34.41 65.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.669 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 497' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -97.07 152.97 18.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.57 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 498' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -65.49 -17.5 64.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.637 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 499' ' ' TRP . . . . . 0.425 ' O ' ' HB3' ' A' ' 502' ' ' ALA . 63.0 t-105 -49.72 -36.51 25.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.627 -179.768 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 500' ' ' VAL . . . . . 0.431 HG13 ' N ' ' A' ' 501' ' ' GLU . 8.1 p -50.36 -37.02 14.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.685 179.47 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 501' ' ' GLU . . . . . 0.431 ' N ' HG13 ' A' ' 500' ' ' VAL . 96.8 mt-10 -66.1 -27.99 68.48 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.614 179.285 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 502' ' ' ALA . . . . . 0.425 ' HB3' ' O ' ' A' ' 499' ' ' TRP . . . -56.44 -43.87 79.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.585 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 503' ' ' TYR . . . . . 0.487 ' OH ' ' NE2' ' A' ' 509' ' ' GLN . 52.3 m-85 -79.88 -27.01 40.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.596 179.223 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 10.5 tpp180 -61.03 -17.86 54.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.653 -179.219 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 505' ' ' GLN . . . . . 0.407 ' CG ' ' O ' ' A' ' 502' ' ' ALA . 9.9 pt20 -104.24 -0.06 28.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.612 -179.254 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . 81.84 36.64 18.44 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.926 -0.869 . . . . 0.0 110.926 179.323 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 507' ' ' ARG . . . . . . . . . . . . . 24.3 ttm180 -75.84 147.82 38.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.806 0.336 . . . . 0.0 110.578 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 7.1 pt -106.5 124.76 62.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.521 179.409 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 509' ' ' GLN . . . . . 0.759 ' NE2' H611 ' A' ' 600' ' ' PVN . 18.9 tt0 -113.6 117.8 32.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.521 -179.089 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 510' ' ' ALA . . . . . 0.733 ' HB1' ' CD1' ' A' ' 561' ' ' TRP . . . -128.35 102.63 6.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.606 178.579 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 511' ' ' THR . . . . . . . . . . . . . 4.7 m -112.49 105.21 13.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.588 -179.432 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 512' ' ' THR . . . . . . . . . . . . . 42.3 p -51.72 -19.94 1.86 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.507 179.136 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 513' ' ' ASP . . . . . 0.526 ' N ' ' OD1' ' A' ' 513' ' ' ASP . 17.9 p-10 -168.65 117.43 0.7 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.502 -179.005 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 514' ' ' ILE . . . . . 0.576 HG22 ' O ' ' A' ' 514' ' ' ILE . 68.7 mt -69.45 0.64 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.506 179.02 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 515' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -75.79 -30.13 58.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.587 -178.335 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 17.9 pttp -97.34 28.18 3.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.576 178.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -131.72 139.33 48.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.519 -177.104 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . 46.33 48.83 15.68 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 176.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 519' ' ' LEU . . . . . 0.409 HD23 ' N ' ' A' ' 519' ' ' LEU . 8.9 mt -58.6 159.81 6.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.785 0.326 . . . . 0.0 110.625 177.572 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 520' ' ' THR . . . . . . . . . . . . . 5.1 p 60.89 26.99 16.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.602 179.232 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -144.84 165.6 27.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.534 179.203 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 522' ' ' CYS . . . . . 0.687 ' O ' ' CG ' ' A' ' 523' ' ' HIS . 1.6 p -58.77 122.07 12.64 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.451 178.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 523' ' ' HIS . . . . . 0.687 ' CG ' ' O ' ' A' ' 522' ' ' CYS . 11.6 m170 -173.44 -81.41 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.639 -178.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 524' ' ' LEU . . . . . 0.53 ' O ' ' N ' ' A' ' 528' ' ' ARG . 0.7 OUTLIER -50.29 -34.79 24.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.683 178.711 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 525' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -58.1 -42.97 86.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.702 -178.196 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 526' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -98.25 -8.25 27.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.59 -178.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 527' ' ' LEU . . . . . 0.512 HD13 HG21 ' A' ' 514' ' ' ILE . 16.0 mt -106.01 -24.54 12.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.603 -178.179 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 528' ' ' ARG . . . . . 0.707 ' N ' ' CD ' ' A' ' 529' ' ' PRO . 14.4 tpt180 -66.2 -39.75 30.59 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.325 -177.745 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 529' ' ' PRO . . . . . 0.707 ' CD ' ' N ' ' A' ' 528' ' ' ARG . 34.9 Cg_exo -60.61 -45.45 21.4 Favored 'Trans proline' 0 C--N 1.305 -1.716 0 C-N-CA 122.875 2.383 . . . . 0.0 112.259 -178.22 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 530' ' ' LEU . . . . . 0.75 ' CD1' H921 ' A' ' 600' ' ' PVN . 53.2 mt -68.22 -7.01 26.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.638 -178.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 22.7 mtmt 60.6 26.76 16.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.523 178.519 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 532' ' ' VAL . . . . . 0.672 HG23 ' O ' ' A' ' 532' ' ' VAL . 31.1 m -75.53 109.27 8.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.602 179.203 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 533' ' ' ARG . . . . . 0.543 ' NH1' ' O ' ' A' ' 555' ' ' ALA . 70.6 mtt85 -96.04 -16.39 21.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.448 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 534' ' ' ALA . . . . . 0.66 ' HB2' ' HA ' ' A' ' 558' ' ' PRO . . . -129.63 138.27 51.14 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.101 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 535' ' ' ASN . . . . . 0.845 HD21 H612 ' A' ' 600' ' ' PVN . 39.6 t30 -128.19 118.16 22.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.9 0.381 . . . . 0.0 111.247 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 536' ' ' LEU . . . . . . . . . . . . . 43.0 tp -130.86 128.08 39.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.932 177.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 537' ' ' VAL . . . . . 0.634 HG21 H713 ' A' ' 600' ' ' PVN . 59.1 t -130.5 148.21 33.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.973 0.416 . . . . 0.0 111.23 -177.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 538' ' ' VAL . . . . . . . . . . . . . 33.1 m -141.06 130.76 12.96 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.085 178.333 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 539' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -72.78 137.32 26.95 Favored 'Trans proline' 0 C--N 1.304 -1.768 0 C-N-CA 122.807 2.338 . . . . 0.0 112.483 -175.318 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 540' ' ' MET . . . . . 0.499 ' SD ' ' O ' ' A' ' 573' ' ' ALA . 4.6 ttp -126.8 118.92 25.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.103 176.729 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 541' ' ' VAL . . . . . 0.459 HG13 ' O ' ' A' ' 545' ' ' GLN . 8.6 t -122.45 143.7 34.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.023 0.44 . . . . 0.0 111.088 -176.024 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 542' ' ' ILE . . . . . 0.505 HD12 ' CD1' ' A' ' 547' ' ' PHE . 71.7 mt -123.26 129.22 75.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.136 178.603 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 543' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 42.74 49.72 5.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.228 -179.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 544' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 57.75 39.82 26.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.482 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 545' ' ' GLN . . . . . 0.459 ' O ' HG13 ' A' ' 541' ' ' VAL . 58.1 tt0 -141.02 144.87 35.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.555 179.368 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 546' ' ' LEU . . . . . . . . . . . . . 34.5 tp -74.42 127.04 32.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.584 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 547' ' ' PHE . . . . . 0.505 ' CD1' HD12 ' A' ' 542' ' ' ILE . 73.9 t80 -112.68 -59.34 2.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.523 -179.433 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 548' ' ' GLY . . . . . 0.469 ' C ' HD12 ' A' ' 549' ' ' LEU . . . -172.61 -178.22 42.55 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 -179.233 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 549' ' ' LEU . . . . . 0.475 ' C ' HD12 ' A' ' 550' ' ' LEU . 5.1 mp -142.17 141.27 32.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.762 0.315 . . . . 0.0 110.585 -179.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 550' ' ' LEU . . . . . 0.617 ' N ' HD12 ' A' ' 550' ' ' LEU . 7.6 mp -95.05 125.96 40.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.331 179.245 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 551' ' ' ILE . . . . . 0.859 HD11 ' CE1' ' A' ' 463' ' ' TYR . 5.2 mt -117.53 139.81 43.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.926 0.393 . . . . 0.0 110.879 -179.256 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -124.39 114.25 19.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.192 178.386 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 553' ' ' HIS . . . . . 0.537 ' CE1' ' CG2' ' A' ' 551' ' ' ILE . 51.4 m80 -109.65 127.63 54.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.968 0.413 . . . . 0.0 110.791 179.699 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 554' ' ' GLN . . . . . 0.628 ' H ' ' HB3' ' A' ' 534' ' ' ALA . 30.2 tt0 -88.63 117.8 27.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.667 175.063 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 555' ' ' ALA . . . . . 0.543 ' O ' ' NH1' ' A' ' 533' ' ' ARG . . . -90.75 -6.32 54.56 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.514 -176.569 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 556' ' ' SER . . . . . . . . . . . . . 41.4 t -96.01 -32.59 12.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.508 -177.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 557' ' ' GLU . . . . . 0.451 ' O ' ' CD ' ' A' ' 554' ' ' GLN . 4.1 pt-20 174.62 149.71 0.25 Allowed Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.404 -178.507 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 558' ' ' PRO . . . . . 0.66 ' HA ' ' HB2' ' A' ' 534' ' ' ALA . 55.8 Cg_endo -71.49 125.7 11.48 Favored 'Trans proline' 0 C--N 1.305 -1.735 0 C-N-CA 122.748 2.299 . . . . 0.0 112.225 179.276 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 559' ' ' ARG . . . . . 0.509 ' NH1' ' O ' ' A' ' 455' ' ' LEU . 15.5 ptm180 -117.12 141.02 48.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.348 -177.008 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 560' ' ' GLN . . . . . 0.438 ' NE2' ' N ' ' A' ' 561' ' ' TRP . 35.2 tp60 -78.2 116.92 19.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.644 176.046 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 561' ' ' TRP . . . . . 0.733 ' CD1' ' HB1' ' A' ' 510' ' ' ALA . 0.9 OUTLIER -59.49 144.62 46.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.367 -177.073 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.13 138.5 31.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.771 177.696 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 563' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -46.76 -41.79 15.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.516 -179.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 564' ' ' ILE . . . . . 0.477 HG22 ' NE2' ' A' ' 568' ' ' GLN . 6.6 mm -73.08 -34.87 46.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.5 179.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -66.42 -36.82 83.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.636 -179.271 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 566' ' ' ILE . . . . . 0.56 HD11 ' CB ' ' A' ' 561' ' ' TRP . 45.7 mm -66.54 -48.84 79.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.597 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -61.69 -46.86 87.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.543 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 568' ' ' GLN . . . . . 0.477 ' NE2' HG22 ' A' ' 564' ' ' ILE . 46.9 mt-30 -63.68 -43.53 96.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.481 -179.386 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 569' ' ' PHE . . . . . 0.569 ' CD1' HD11 ' A' ' 455' ' ' LEU . 40.6 t80 -65.87 -43.96 86.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.52 -179.628 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 34.7 m -59.54 -36.23 75.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.435 177.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 86.9 mt-10 -62.61 -39.74 94.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.481 177.496 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 14.3 tp -58.12 -44.95 88.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.507 178.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 573' ' ' ALA . . . . . 0.499 ' O ' ' SD ' ' A' ' 540' ' ' MET . . . -66.01 -44.24 85.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.39 179.496 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 574' ' ' SER . . . . . . . . . . . . . 23.2 t -61.87 -33.76 74.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.529 179.376 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 48.7 m -53.87 -54.58 36.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.544 -178.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -51.45 -36.78 39.01 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 179.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 2.5 m -58.85 -33.32 70.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.787 0.327 . . . . 0.0 110.547 179.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 31.9 mt -62.88 -54.93 31.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.623 -178.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 579' ' ' VAL . . . . . 0.469 HG13 ' N ' ' A' ' 580' ' ' LEU . 7.3 p -74.11 -41.08 51.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.521 -178.677 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 580' ' ' LEU . . . . . 0.469 ' N ' HG13 ' A' ' 579' ' ' VAL . 58.6 mt -57.74 -36.49 72.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.51 -179.635 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 581' ' ' GLU . . . . . 0.403 ' OE1' ' N ' ' A' ' 582' ' ' ARG . 14.3 tm-20 -59.93 -51.14 70.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.684 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 582' ' ' ARG . . . . . 0.403 ' N ' ' OE1' ' A' ' 581' ' ' GLU . 60.7 mtm180 -75.28 -36.59 61.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.644 -179.522 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 24.3 tp -72.34 -53.04 13.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.625 -179.151 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 584' ' ' HIS . . . . . 0.558 ' O ' ' NE2' ' A' ' 588' ' ' GLN . 83.4 t60 -49.59 -39.36 35.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.668 -179.268 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 585' ' ' PHE . . . . . 0.445 ' O ' HG23 ' A' ' 589' ' ' THR . 11.5 m-85 -79.6 -50.07 11.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.587 -179.448 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 35.1 tp -53.13 -49.38 66.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.653 -179.185 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 587' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -60.43 -43.22 96.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.678 179.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 588' ' ' GLN . . . . . 0.647 ' N ' HE21 ' A' ' 588' ' ' GLN . 0.0 OUTLIER -67.63 -50.16 59.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.647 -179.056 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 589' ' ' THR . . . . . 0.445 HG23 ' O ' ' A' ' 585' ' ' PHE . 66.2 p -59.66 -30.16 68.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.652 -178.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 590' ' ' ILE . . . . . . . . . . . . . 15.0 mt -64.95 -33.5 64.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.586 -179.434 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -63.66 -30.58 71.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.566 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 57.2 p -74.13 -7.41 52.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.528 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 39.6 mt . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 118.019 -0.991 . . . . 0.0 110.542 -179.849 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 600' ' ' PVN . . . . . 0.845 H612 HD21 ' A' ' 535' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_