data_6soe_residue ############################ # Computer software used # ############################ 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 6soe _Structure_validation_residue.Date_analyzed 2019-11-01 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 ' 521' ' ' VAL . . . . . . . . . . . . . 99.3 t . . . . . 0 N--CA 1.446 -0.663 0 CA-C-O 121.23 0.538 . . . . 1.08 110.476 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 522' ' ' VAL . . . . . 0.403 HG13 ' O ' ' A' ' 591' ' ' ARG . 83.5 t -103.95 132.29 50.75 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.924 0 CA-C-N 115.448 -0.797 . . . . 1.07 109.409 172.793 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 -106.0 132.43 52.1 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.347 -0.612 . . . . 2.21 109.347 178.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 524' ' ' ILE . . . . . . . . . . . . . 77.1 mt -113.57 129.65 69.0 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-N 115.859 -0.609 . . . . 1.06 110.409 -177.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 525' ' ' CYS . . . . . 0.453 ' SG ' ' HB3' ' A' ' 589' ' ' LEU . 25.1 p -119.01 176.35 5.33 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.674 -0.694 . . . . 2.22 110.545 -176.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 17.4 m120 69.37 26.88 5.17 Favored 'General case' 0 N--CA 1.466 0.346 0 O-C-N 123.779 0.674 . . . . 1.74 110.681 179.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 80.6 mt -87.53 120.12 70.98 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 115.693 -0.685 . . . . 1.09 110.875 -178.114 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 528' ' ' PRO . . . . . 0.713 ' HD2' ' SG ' ' A' ' 532' ' ' CYS . 11.3 Cg_exo -70.83 129.91 17.2 Favored 'Trans proline' 0 N--CA 1.458 -0.612 0 C-N-CA 122.162 1.908 . . . . 0.88 111.52 171.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 529' ' ' GLU . . . . . 0.42 ' H ' ' CD ' ' A' ' 529' ' ' GLU . 1.5 pm0 -70.32 129.11 38.43 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.859 0.362 . . . . 2.98 110.562 175.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 90.28 -18.78 46.99 Favored Glycine 0 N--CA 1.448 -0.526 0 CA-C-N 116.049 -0.523 . . . . 0.97 113.252 177.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 531' ' ' SER . . . . . 0.434 ' HB2' ' HB2' ' A' ' 528' ' ' PRO . 14.3 m -95.74 -36.9 11.01 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 117.308 0.554 . . . . 1.63 111.028 -178.101 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 532' ' ' CYS . . . . . 0.713 ' SG ' ' HD2' ' A' ' 528' ' ' PRO . 59.8 m -87.55 142.96 27.45 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.188 -0.46 . . . . 1.73 110.088 175.766 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 66.9 p -105.53 170.08 8.1 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.267 -0.642 . . . . 1.27 109.267 173.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -57.67 -38.33 74.94 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.274 0.559 . . . . 1.32 109.814 177.158 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 35.0 m-80 -64.45 -42.97 95.66 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-N 115.231 -0.895 . . . . 2.62 111.329 -176.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 536' ' ' ASP . . . . . 0.536 ' O ' ' HG ' ' A' ' 540' ' ' LEU . 45.3 m-20 -58.86 -46.06 88.67 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 120.826 0.346 . . . . 0.52 111.085 -175.537 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 45.7 t -62.01 -45.49 98.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.719 -0.673 . . . . 1.07 110.345 -178.101 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 84.1 mt -67.27 -45.94 85.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.683 -0.69 . . . . 1.07 110.795 179.097 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 539' ' ' ASN . . . . . 0.52 ' O ' ' HD3' ' A' ' 543' ' ' PRO . 95.9 m-20 -64.97 -27.45 68.84 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.65 -0.705 . . . . 1.74 111.822 -176.716 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 540' ' ' LEU . . . . . 0.536 ' HG ' ' O ' ' A' ' 536' ' ' ASP . 71.5 mt -74.48 -30.47 61.85 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 111.705 0.261 . . . . 1.08 111.705 177.463 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -79.45 -40.17 16.39 Favored Glycine 0 CA--C 1.519 0.299 0 C-N-CA 120.321 -0.942 . . . . 0.26 112.167 179.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 542' ' ' LEU . . . . . 0.506 ' HA ' ' O ' ' A' ' 545' ' ' GLY . 87.3 mt -47.89 -45.77 62.24 Favored Pre-proline 0 CA--C 1.543 0.707 0 N-CA-C 114.923 1.453 . . . . 1.11 114.923 -175.755 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 543' ' ' PRO . . . . . 0.52 ' HD3' ' O ' ' A' ' 539' ' ' ASN . 81.3 Cg_exo -50.23 -34.38 39.64 Favored 'Trans proline' 0 C--N 1.358 1.072 0 C-N-CA 122.141 1.894 . . . . 0.22 115.188 -171.425 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -111.06 -16.53 13.47 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.771 0.656 . . . . 0.42 112.771 178.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 545' ' ' GLY . . . . . 0.521 ' CA ' ' HB1' ' A' ' 568' ' ' ALA . . . -153.94 140.91 7.84 Favored Glycine 0 CA--C 1.524 0.652 0 C-N-CA 120.832 -0.699 . . . . 1.14 112.927 175.179 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 546' ' ' LYS . . . . . 0.47 ' HZ1' ' HB2' ' A' ' 546' ' ' LYS . 4.7 ttmp? -71.31 140.47 50.3 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.005 0.431 . . . . 2.18 111.944 -178.652 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 547' ' ' VAL . . . . . 0.492 ' HA ' ' O ' ' A' ' 562' ' ' GLU . 87.3 t -105.35 136.28 39.98 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.561 0 CA-C-N 115.333 -0.849 . . . . 1.06 109.695 178.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 66.0 p -107.05 -38.45 6.02 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 120.633 -0.427 . . . . 1.05 110.881 177.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -147.24 166.28 27.51 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.258 -0.428 . . . . 1.46 110.194 -172.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 47.6 p90 -150.01 151.4 33.24 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.745 0.307 . . . . 0.99 110.99 179.297 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 34.9 mt -131.38 124.84 55.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 109.132 -0.692 . . . . 1.19 109.132 173.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 552' ' ' LEU . . . . . . . . . . . . . 65.0 mt -111.33 111.57 22.72 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.319 -0.4 . . . . 1.21 111.425 -175.031 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 64.8 mtt -108.1 86.52 2.31 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.534 0.683 . . . . 1.46 109.85 175.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -67.65 -29.37 68.66 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.173 -0.922 . . . . 1.98 110.453 -178.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 61.1 p -59.27 -35.95 74.65 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.553 -0.748 . . . . 1.26 111.515 178.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 556' ' ' THR . . . . . 0.447 ' O ' ' HG2' ' A' ' 558' ' ' GLN . 70.1 p -100.3 5.13 44.5 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.659 0.266 . . . . 1.41 111.212 178.651 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 57.4 42.85 24.13 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 115.701 -0.681 . . . . 2.35 110.464 -177.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 558' ' ' GLN . . . . . 0.447 ' HG2' ' O ' ' A' ' 556' ' ' THR . 11.9 mm100 -138.42 150.69 46.76 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.29 -0.413 . . . . 2.3 110.704 -174.422 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -129.94 143.85 51.01 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.338 -0.392 . . . . 1.06 110.436 177.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 560' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -122.31 132.72 54.54 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.938 -0.574 . . . . 0.45 109.697 179.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 561' ' ' LEU . . . . . 0.413 ' HB3' ' HE3' ' A' ' 563' ' ' MET . 14.2 tp -126.76 133.55 50.82 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 116.177 -0.465 . . . . 1.06 110.024 -172.611 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 562' ' ' GLU . . . . . 0.492 ' O ' ' HA ' ' A' ' 547' ' ' VAL . 8.1 tp10 -101.62 138.82 38.1 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 122.627 0.371 . . . . 1.85 111.044 -175.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 563' ' ' MET . . . . . 0.692 ' HE2' ' SD ' ' A' ' 572' ' ' MET . 0.4 OUTLIER -113.94 139.82 48.9 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.741 0.781 . . . . 1.16 111.636 -178.415 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -63.69 -30.26 71.38 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 114.718 -1.128 . . . . 1.13 111.581 -177.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -131.41 140.94 49.75 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.504 -0.925 . . . . 1.44 108.504 -177.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 566' ' ' THR . . . . . 0.479 ' O ' ' HG3' ' A' ' 570' ' ' GLN . 9.9 t -65.16 -31.61 72.88 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.296 -0.411 . . . . 1.18 110.334 -179.607 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -66.58 -34.29 77.56 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-O 120.828 0.347 . . . . 1.91 110.481 175.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 568' ' ' ALA . . . . . 0.521 ' HB1' ' CA ' ' A' ' 545' ' ' GLY . . . -62.8 -44.77 95.3 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.009 -0.541 . . . . 1.07 110.296 -179.111 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -67.89 -45.29 74.86 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.795 -0.639 . . . . 1.06 111.27 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 570' ' ' GLN . . . . . 0.623 ' O ' ' HG2' ' A' ' 574' ' ' GLN . 76.5 mt-30 -64.52 -47.36 79.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.274 -0.421 . . . . 1.35 110.905 -179.03 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -62.72 -43.72 98.08 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 116.04 -0.527 . . . . 1.09 111.723 -175.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 572' ' ' MET . . . . . 0.692 ' SD ' ' HE2' ' A' ' 563' ' ' MET . 14.8 ptp -65.75 -45.04 84.05 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 116.378 -0.373 . . . . 1.11 110.694 -177.269 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 573' ' ' VAL . . . . . 0.506 ' CG1' ' HA ' ' A' ' 591' ' ' ARG . 51.4 t -66.88 -38.37 81.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.353 -0.385 . . . . 1.05 111.672 -175.354 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 574' ' ' GLN . . . . . 0.623 ' HG2' ' O ' ' A' ' 570' ' ' GLN . 15.5 mm100 -60.1 -36.49 77.53 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.511 -0.552 . . . . 2.38 109.511 177.446 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 47.8 t80 -69.29 -48.94 60.21 Favored 'General case' 0 C--O 1.217 -0.654 0 CA-C-N 116.114 -0.494 . . . . 0.99 110.86 173.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 576' ' ' TYR . . . . . 0.502 ' CE1' ' HB2' ' A' ' 572' ' ' MET . 20.8 m-85 -74.7 -17.07 60.72 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 112.814 0.672 . . . . 0.38 112.814 -172.554 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -79.35 -25.0 42.35 Favored 'General case' 0 C--N 1.315 -0.915 0 C-N-CA 120.232 -0.587 . . . . 1.86 110.461 173.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -96.08 -39.13 9.88 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.117 -0.492 . . . . 2.07 111.017 177.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 53.7 mtpt -131.22 83.0 61.28 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 115.804 -0.635 . . . . 2.57 109.685 174.388 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_exo -70.58 159.59 52.28 Favored 'Trans proline' 0 C--O 1.234 0.32 0 C-N-CA 123.238 2.625 . . . . 0.21 112.331 -175.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -93.08 148.77 21.73 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.389 -0.369 . . . . 1.02 110.48 -175.116 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 56.0 mt -122.01 132.98 69.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.37 -0.377 . . . . 1.16 111.646 -172.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 583' ' ' ILE . . . . . . . . . . . . . 55.7 mt -121.34 116.07 48.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.018 -0.537 . . . . 1.42 110.518 173.034 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 59.33 38.0 23.23 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 116.102 -0.499 . . . . 1.7 111.31 176.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 84.36 -0.09 89.36 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.589 -0.815 . . . . 0.69 112.733 178.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -100.64 125.6 47.06 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.516 -0.549 . . . . 1.93 109.516 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -86.63 110.07 19.6 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.217 -0.447 . . . . 2.64 110.491 -177.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 588' ' ' LEU . . . . . . . . . . . . . 27.2 mt -85.45 123.35 30.79 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.411 -0.589 . . . . 1.09 109.411 178.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 589' ' ' LEU . . . . . 0.453 ' HB3' ' SG ' ' A' ' 525' ' ' CYS . 43.7 tp -83.63 108.0 16.44 Favored 'General case' 0 N--CA 1.433 -1.301 0 N-CA-C 107.843 -1.169 . . . . 1.1 107.843 170.44 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 590' ' ' ILE . . . . . . . . . . . . . 55.0 mt -95.54 114.85 33.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 N-CA-C 107.616 -1.253 . . . . 1.04 107.616 177.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 591' ' ' ARG . . . . . 0.506 ' HA ' ' CG1' ' A' ' 573' ' ' VAL . 15.3 ptm180 -148.63 164.02 35.54 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.155 0.502 . . . . 3.66 112.264 -169.788 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 592' ' ' MET . . . . . 0.43 ' HG2' HG13 ' A' ' 573' ' ' VAL . 0.4 OUTLIER -63.44 135.96 57.28 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.463 -0.789 . . . . 1.06 110.566 -176.255 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 40.2 t -86.56 130.51 34.47 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.69 -0.485 . . . . 1.57 109.69 176.353 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 20.2 p -92.5 -22.03 19.8 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.188 -0.46 . . . . 2.17 110.887 179.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 13.5 mtm180 -82.32 -41.31 20.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 3.39 110.984 -175.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -107.2 133.36 51.9 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.45 -0.341 . . . . 1.27 110.336 -175.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 51.1 mtmt -91.72 -29.33 16.89 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.081 -0.509 . . . . 3.84 110.136 175.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -159.89 151.11 19.52 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.347 -0.842 . . . . 2.02 109.288 -179.216 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 599' ' ' LEU . . . . . . . . . . . . . 87.2 mt . . . . . 0 C--N 1.321 -0.634 0 CA-C-O 121.196 0.522 . . . . 1.09 110.329 179.095 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 69.1 t . . . . . 0 N--CA 1.451 -0.401 0 N-CA-C 109.717 -0.475 . . . . 1.08 109.717 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 522' ' ' VAL . . . . . 0.44 HG22 ' HE1' ' A' ' 592' ' ' MET . 68.5 t -101.64 134.81 40.94 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 N-CA-C 110.042 -0.355 . . . . 1.07 110.042 178.585 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 13.5 p-80 -112.88 139.89 48.14 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.34 0.59 . . . . 2.21 110.86 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 524' ' ' ILE . . . . . 0.479 HD13 HG12 ' A' ' 537' ' ' VAL . 69.1 mt -115.92 131.47 68.26 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.872 0 CA-C-N 115.105 -0.952 . . . . 1.06 110.196 -179.62 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 20.7 m -113.81 175.01 5.65 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.062 -0.517 . . . . 2.22 110.671 -174.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 16.1 m120 64.33 31.28 12.96 Favored 'General case' 0 N--CA 1.465 0.309 0 O-C-N 123.628 0.58 . . . . 1.74 111.53 177.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 85.3 mt -86.39 120.48 72.18 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 116.375 -0.375 . . . . 1.09 110.762 -178.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 528' ' ' PRO . . . . . 0.615 ' HD2' ' SG ' ' A' ' 532' ' ' CYS . 36.1 Cg_endo -68.34 131.94 24.54 Favored 'Trans proline' 0 C--O 1.237 0.427 0 C-N-CA 122.654 2.236 . . . . 0.88 112.474 177.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.67 133.07 47.91 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.451 -0.795 . . . . 2.98 111.247 177.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 87.01 -17.69 40.19 Favored Glycine 0 N--CA 1.445 -0.735 0 C-N-CA 120.667 -0.778 . . . . 0.97 113.606 175.32 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 10.0 t -105.11 -36.27 7.33 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 117.648 0.724 . . . . 1.63 111.143 -178.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 532' ' ' CYS . . . . . 0.615 ' SG ' ' HD2' ' A' ' 528' ' ' PRO . 82.0 m -86.77 128.74 35.04 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.853 0.359 . . . . 1.73 110.879 175.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 81.6 p -106.51 170.94 7.63 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.995 -0.548 . . . . 1.27 109.815 177.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -51.65 -45.4 63.33 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.212 0.53 . . . . 1.32 110.241 178.331 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 17.5 m-80 -60.28 -43.39 96.26 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.069 -0.969 . . . . 2.62 112.205 -173.036 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 536' ' ' ASP . . . . . 0.501 ' O ' ' HG ' ' A' ' 540' ' ' LEU . 31.9 m-20 -62.44 -46.64 87.63 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 121.112 0.482 . . . . 0.52 110.774 -172.178 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 537' ' ' VAL . . . . . 0.479 HG12 HD13 ' A' ' 524' ' ' ILE . 59.4 t -62.25 -40.79 89.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.205 -0.907 . . . . 1.07 110.138 -178.272 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 86.7 mt -66.86 -42.82 89.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.659 -0.701 . . . . 1.07 110.485 177.499 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -61.55 -29.08 69.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.769 -0.65 . . . . 1.74 111.95 -179.074 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 540' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 536' ' ' ASP . 42.9 mt -73.05 -38.93 66.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.703 -0.226 . . . . 1.08 111.472 -179.288 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -76.71 -39.73 28.46 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.617 -0.802 . . . . 0.26 112.83 -176.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 542' ' ' LEU . . . . . 0.436 ' HA ' ' O ' ' A' ' 545' ' ' GLY . 79.8 mt -47.71 -45.28 59.52 Favored Pre-proline 0 N--CA 1.471 0.608 0 N-CA-C 114.707 1.373 . . . . 1.11 114.707 -173.13 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_exo -47.44 -34.09 18.68 Favored 'Trans proline' 0 C--N 1.36 1.135 0 C-N-CA 122.247 1.965 . . . . 0.22 115.188 -173.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 544' ' ' PHE . . . . . 0.496 ' HB2' ' CB ' ' A' ' 572' ' ' MET . 67.7 m-85 -111.42 -19.52 12.56 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.036 -0.665 . . . . 0.42 112.766 176.255 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 545' ' ' GLY . . . . . 0.436 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . -149.25 126.15 2.17 Favored Glycine 0 CA--C 1.521 0.434 0 C-N-CA 120.503 -0.856 . . . . 1.14 113.801 177.719 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 546' ' ' LYS . . . . . 0.431 ' O ' ' HA ' ' A' ' 563' ' ' MET . 55.7 tptt -57.01 140.24 49.65 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 123.144 0.578 . . . . 2.18 111.31 174.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 547' ' ' VAL . . . . . 0.452 ' HA ' ' O ' ' A' ' 562' ' ' GLU . 90.1 t -100.0 135.28 36.38 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.474 0 CA-C-N 115.892 -0.595 . . . . 1.06 110.855 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 32.6 p -107.52 -32.38 7.73 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.238 -0.437 . . . . 1.05 111.612 176.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 70.2 m-20 -146.91 165.09 30.84 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-N 116.371 -0.377 . . . . 1.46 110.728 -175.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 47.1 p90 -151.42 149.16 28.97 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.255 -0.429 . . . . 0.99 109.985 173.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 14.8 mt -138.62 124.36 23.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 N-CA-C 109.211 -0.662 . . . . 1.19 109.211 175.172 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 552' ' ' LEU . . . . . . . . . . . . . 85.3 mt -103.91 112.85 25.99 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.976 -0.557 . . . . 1.21 111.401 -173.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 25.3 mmt -107.32 84.22 1.94 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.545 0.688 . . . . 1.46 109.416 174.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 31.9 mmtp -68.72 -29.01 67.34 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.382 -0.826 . . . . 1.98 110.768 -178.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 67.3 p -61.82 -32.11 72.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.766 -0.652 . . . . 1.26 111.697 179.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 70.2 p -103.9 9.3 36.82 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 120.994 0.426 . . . . 1.41 110.856 178.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 56.68 40.27 29.32 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 115.104 -0.953 . . . . 2.35 111.723 178.047 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -145.85 157.71 43.9 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-O 121.104 0.478 . . . . 2.3 110.917 -176.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -129.98 143.84 51.01 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 116.177 -0.465 . . . . 1.06 110.395 178.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 560' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -111.78 128.64 56.16 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.18 -0.463 . . . . 0.45 109.816 178.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 15.9 tp -124.11 131.1 53.51 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 115.947 -0.57 . . . . 1.06 109.839 -175.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 562' ' ' GLU . . . . . 0.452 ' O ' ' HA ' ' A' ' 547' ' ' VAL . 27.8 tt0 -102.36 137.77 40.17 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.571 0.224 . . . . 1.85 110.504 -177.743 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 563' ' ' MET . . . . . 0.746 ' HE2' ' SD ' ' A' ' 572' ' ' MET . 0.5 OUTLIER -107.08 151.58 25.17 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.439 -0.346 . . . . 1.16 111.004 -179.429 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -60.09 -43.2 95.7 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.059 0.457 . . . . 1.13 110.943 -177.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -118.57 151.66 37.47 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.652 -0.704 . . . . 1.44 109.112 -179.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 566' ' ' THR . . . . . 0.546 ' O ' ' HG3' ' A' ' 570' ' ' GLN . 9.3 t -61.8 -38.76 89.3 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.098 0.475 . . . . 1.18 109.977 175.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -66.52 -31.65 72.51 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 115.828 -0.624 . . . . 1.91 111.307 178.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 568' ' ' ALA . . . . . 0.421 ' HB3' ' CA ' ' A' ' 545' ' ' GLY . . . -61.66 -41.8 98.03 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.214 0.53 . . . . 1.07 109.574 177.084 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 569' ' ' ALA . . . . . 0.425 ' O ' ' HG2' ' A' ' 572' ' ' MET . . . -68.65 -45.26 72.26 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.276 -0.875 . . . . 1.06 111.384 177.782 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 570' ' ' GLN . . . . . 0.546 ' HG3' ' O ' ' A' ' 566' ' ' THR . 72.6 mt-30 -67.02 -46.45 74.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.463 -0.335 . . . . 1.35 111.27 -176.294 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -62.82 -38.76 92.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.097 -0.501 . . . . 1.09 111.354 -175.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 572' ' ' MET . . . . . 0.746 ' SD ' ' HE2' ' A' ' 563' ' ' MET . 12.8 ptp -69.02 -45.77 69.63 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.688 -0.405 . . . . 1.11 110.439 -179.61 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 573' ' ' VAL . . . . . 0.504 ' N ' ' HG3' ' A' ' 572' ' ' MET . 94.8 t -67.05 -37.42 79.29 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.654 0 CA-C-N 116.27 -0.423 . . . . 1.05 111.364 -175.332 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 574' ' ' GLN . . . . . 0.436 ' HG2' ' O ' ' A' ' 570' ' ' GLN . 28.8 mm-40 -59.19 -37.4 77.32 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.318 -0.623 . . . . 2.38 109.318 176.648 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 76.8 t80 -68.94 -49.87 54.24 Favored 'General case' 0 C--O 1.217 -0.611 0 CA-C-N 116.184 -0.462 . . . . 0.99 111.161 173.361 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 576' ' ' TYR . . . . . 0.41 ' CE1' ' HB2' ' A' ' 572' ' ' MET . 23.7 m-85 -73.98 -17.28 61.02 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 112.983 0.734 . . . . 0.38 112.983 -172.787 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -74.13 -29.04 61.62 Favored 'General case' 0 C--N 1.317 -0.819 0 C-N-CA 120.585 -0.446 . . . . 1.86 110.386 173.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -97.77 -39.78 8.87 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.225 -0.443 . . . . 2.07 111.205 178.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 52.1 mtpt -130.1 82.91 64.88 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-N 115.988 -0.551 . . . . 2.57 109.784 176.306 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -70.36 160.61 48.95 Favored 'Trans proline' 0 CA--C 1.53 0.281 0 C-N-CA 123.868 3.045 . . . . 0.21 112.632 -175.142 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -92.17 148.51 22.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.375 -0.375 . . . . 1.02 110.654 -174.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 66.2 mt -113.79 130.17 68.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 112.288 0.477 . . . . 1.16 112.288 -170.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 583' ' ' ILE . . . . . . . . . . . . . 45.4 mt -122.01 123.09 68.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.018 -0.537 . . . . 1.42 109.82 170.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 59.26 34.42 23.03 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 122.9 0.48 . . . . 1.7 111.482 177.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 81.15 3.41 90.67 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.777 -0.725 . . . . 0.69 112.624 -179.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -103.32 126.85 50.7 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.874 0.369 . . . . 1.93 110.293 179.24 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 57.3 mttm -84.44 107.54 16.75 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.11 -0.495 . . . . 2.64 109.897 -179.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 588' ' ' LEU . . . . . 0.415 HD12 ' CD1' ' A' ' 540' ' ' LEU . 60.6 mt -85.02 129.05 34.86 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 116.185 -0.461 . . . . 1.09 109.942 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 36.8 tp -82.44 109.32 16.57 Favored 'General case' 0 N--CA 1.436 -1.173 0 N-CA-C 108.607 -0.886 . . . . 1.1 108.607 174.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 590' ' ' ILE . . . . . . . . . . . . . 58.5 mt -95.44 115.37 34.25 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 N-CA-C 107.786 -1.19 . . . . 1.04 107.786 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 591' ' ' ARG . . . . . 0.471 ' HA ' ' CG1' ' A' ' 573' ' ' VAL . 27.9 ptt180 -142.44 157.22 44.99 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 113.602 0.964 . . . . 3.66 113.602 -168.661 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 592' ' ' MET . . . . . 0.466 ' HG2' HG12 ' A' ' 573' ' ' VAL . 0.2 OUTLIER -66.77 132.18 47.52 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 114.607 -1.179 . . . . 1.06 111.254 -174.665 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 15.0 m -87.49 130.65 34.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.747 0.308 . . . . 1.57 110.555 174.32 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 11.2 p -89.49 -26.57 20.85 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.127 0.489 . . . . 2.17 110.483 176.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 78.9 mtp180 -74.6 -41.31 60.67 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.729 -0.669 . . . . 3.39 111.453 -179.044 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -106.95 129.89 54.69 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.05 0.452 . . . . 1.27 111.461 -176.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 50.9 mtmt -94.81 -38.04 10.94 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.837 0.827 . . . . 3.84 109.589 167.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -145.19 146.35 31.71 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.536 -1.211 . . . . 2.02 109.949 -173.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 599' ' ' LEU . . . . . . . . . . . . . 95.3 mt . . . . . 0 C--N 1.322 -0.614 0 CA-C-O 121.254 0.55 . . . . 1.09 110.995 178.272 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 99.0 t . . . . . 0 N--CA 1.443 -0.793 0 N-CA-C 109.564 -0.532 . . . . 1.08 109.564 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 522' ' ' VAL . . . . . . . . . . . . . 61.0 t -101.72 133.21 45.86 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.083 0 CA-C-N 115.512 -0.767 . . . . 1.07 109.599 177.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 12.4 t-80 -106.28 121.12 43.57 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.891 -0.595 . . . . 2.21 109.658 -177.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 524' ' ' ILE . . . . . . . . . . . . . 77.6 mt -103.2 126.95 57.48 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.87 0 CA-C-N 115.998 -0.546 . . . . 1.06 109.847 -179.18 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 34.6 m -114.84 173.75 6.32 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.653 -0.703 . . . . 2.22 110.982 -174.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 19.0 m120 65.03 27.88 12.52 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 115.566 -0.743 . . . . 1.74 111.115 178.255 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 527' ' ' LEU . . . . . 0.566 ' O ' ' HB3' ' A' ' 557' ' ' ASN . 80.4 mt -80.26 120.65 80.18 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-O 120.802 0.334 . . . . 1.09 111.112 -177.367 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 528' ' ' PRO . . . . . 0.539 ' HD2' ' SG ' ' A' ' 532' ' ' CYS . 28.3 Cg_endo -69.67 130.85 20.17 Favored 'Trans proline' 0 C--O 1.238 0.499 0 C-N-CA 122.31 2.007 . . . . 0.88 111.858 172.472 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 529' ' ' GLU . . . . . 0.431 ' HB3' ' OD1' ' A' ' 557' ' ' ASN . 1.0 OUTLIER -69.24 137.69 53.35 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.442 -0.345 . . . . 2.98 110.613 177.432 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 79.0 -18.02 6.6 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 121.125 -0.559 . . . . 0.97 113.109 177.04 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 531' ' ' SER . . . . . 0.458 ' HB3' ' ND2' ' A' ' 584' ' ' ASN . 14.7 m -92.11 -35.18 14.03 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.122 0.487 . . . . 1.63 110.522 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 532' ' ' CYS . . . . . 0.539 ' SG ' ' HD2' ' A' ' 528' ' ' PRO . 38.8 m -86.52 131.32 34.21 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.806 -0.634 . . . . 1.73 110.893 -179.463 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 44.0 p -106.11 167.18 9.98 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.277 -0.638 . . . . 1.27 109.277 174.141 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -57.17 -45.4 83.69 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.266 0.555 . . . . 1.32 109.801 178.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -62.66 -43.18 99.46 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.087 -0.96 . . . . 2.62 111.767 -176.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 536' ' ' ASP . . . . . 0.571 ' O ' ' HG ' ' A' ' 540' ' ' LEU . 50.1 m-20 -60.63 -47.4 86.41 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 120.834 0.35 . . . . 0.52 110.95 -177.796 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 76.1 t -62.48 -44.52 99.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.753 -0.658 . . . . 1.07 110.703 -177.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 90.1 mt -64.13 -42.98 97.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.966 -0.561 . . . . 1.07 110.648 177.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 539' ' ' ASN . . . . . 0.553 ' O ' ' HD3' ' A' ' 543' ' ' PRO . 83.5 m-20 -61.33 -28.3 69.11 Favored 'General case' 0 C--O 1.223 -0.325 0 CA-C-N 115.779 -0.646 . . . . 1.74 111.737 -179.452 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 540' ' ' LEU . . . . . 0.571 ' HG ' ' O ' ' A' ' 536' ' ' ASP . 44.9 mt -74.74 -33.83 62.42 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.172 0.434 . . . . 1.08 112.172 -178.433 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -79.07 -38.42 22.67 Favored Glycine 0 N--CA 1.453 -0.195 0 C-N-CA 120.15 -1.024 . . . . 0.26 112.165 -179.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 542' ' ' LEU . . . . . . . . . . . . . 62.2 mt -49.1 -45.64 75.2 Favored Pre-proline 0 CA--C 1.55 0.964 0 N-CA-C 115.449 1.648 . . . . 1.11 115.449 -176.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 543' ' ' PRO . . . . . 0.553 ' HD3' ' O ' ' A' ' 539' ' ' ASN . 99.4 Cg_exo -51.93 -34.66 57.11 Favored 'Trans proline' 0 C--N 1.357 0.996 0 C-N-CA 122.369 2.046 . . . . 0.22 115.941 -168.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -110.59 -17.74 13.34 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 119.888 -0.725 . . . . 0.42 112.941 179.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 545' ' ' GLY . . . . . 0.507 ' CA ' ' HB3' ' A' ' 568' ' ' ALA . . . -125.7 -145.67 6.51 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.574 -0.822 . . . . 1.14 113.379 177.741 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 546' ' ' LYS . . . . . 0.587 ' O ' ' HA ' ' A' ' 563' ' ' MET . 40.0 tptt -144.46 125.3 14.28 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.266 -0.467 . . . . 2.18 110.585 178.092 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 94.8 t -91.51 136.0 25.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 116.484 -0.325 . . . . 1.06 110.901 179.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 45.0 p -107.94 -40.07 5.35 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.176 -0.466 . . . . 1.05 110.925 175.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -164.13 168.93 18.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.612 -0.722 . . . . 1.46 109.497 -179.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 53.0 p90 -141.32 151.33 43.52 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.016 0.436 . . . . 0.99 111.735 -173.299 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 15.9 mt -126.38 122.34 61.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 108.659 -0.867 . . . . 1.19 108.659 168.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 552' ' ' LEU . . . . . . . . . . . . . 60.8 mt -113.07 120.06 40.02 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 116.17 -0.468 . . . . 1.21 111.783 -174.352 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 22.3 mmt -106.49 85.63 2.21 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.013 -0.736 . . . . 1.46 109.013 174.199 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.68 -29.45 67.9 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.476 -0.564 . . . . 1.98 109.476 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 64.2 p -63.19 -27.23 69.22 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.298 -0.865 . . . . 1.26 112.018 -179.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 556' ' ' THR . . . . . 0.406 ' O ' ' HG2' ' A' ' 558' ' ' GLN . 66.8 p -112.57 2.11 16.09 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.045 0.45 . . . . 1.41 110.506 -178.362 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 557' ' ' ASN . . . . . 0.566 ' HB3' ' O ' ' A' ' 527' ' ' LEU . 87.9 m-20 57.22 41.17 27.32 Favored 'General case' 0 CA--C 1.521 -0.166 0 CA-C-N 114.886 -1.052 . . . . 2.35 111.306 -178.017 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 558' ' ' GLN . . . . . 0.406 ' HG2' ' O ' ' A' ' 556' ' ' THR . 8.8 mm100 -139.9 148.54 42.18 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.219 -0.66 . . . . 2.3 109.219 -177.816 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -131.26 150.67 52.05 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.257 0.465 . . . . 1.06 112.257 -174.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 560' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -125.2 126.63 45.52 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.543 -0.753 . . . . 0.45 109.315 176.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 14.6 tp -127.74 129.05 46.43 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 110.119 -0.326 . . . . 1.06 110.119 -175.044 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 562' ' ' GLU . . . . . 0.424 ' OE2' ' HA ' ' A' ' 598' ' ' GLU . 8.7 tp10 -99.44 137.86 37.35 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 121.061 0.457 . . . . 1.85 110.906 -174.461 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 563' ' ' MET . . . . . 0.696 ' HE3' ' SD ' ' A' ' 572' ' ' MET . 20.4 mmt -115.21 135.0 54.64 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.434 -0.803 . . . . 1.16 110.916 -173.37 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -61.6 -32.09 72.19 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 114.958 -1.019 . . . . 1.13 111.34 -177.141 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 565' ' ' TYR . . . . . 0.428 ' HB2' ' CB ' ' A' ' 568' ' ' ALA . 23.4 m-85 -123.44 132.39 53.93 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.136 -0.938 . . . . 1.44 108.804 -176.064 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 5.1 t -65.68 -38.15 88.47 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.11 -0.495 . . . . 1.18 110.955 -176.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 567' ' ' GLU . . . . . 0.47 ' CD ' ' H ' ' A' ' 567' ' ' GLU . 1.6 pm0 -68.33 -32.09 71.95 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.352 -0.385 . . . . 1.91 110.839 175.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 568' ' ' ALA . . . . . 0.507 ' HB3' ' CA ' ' A' ' 545' ' ' GLY . . . -62.14 -41.2 98.04 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.07 0.462 . . . . 1.07 110.164 177.753 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -68.08 -45.39 73.95 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.791 -0.641 . . . . 1.06 111.0 178.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 570' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -61.81 -45.69 92.77 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.872 -0.604 . . . . 1.35 111.231 179.07 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -62.27 -42.74 99.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.956 -0.565 . . . . 1.09 111.347 -176.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 572' ' ' MET . . . . . 0.696 ' SD ' ' HE3' ' A' ' 563' ' ' MET . 17.4 ptp -68.42 -46.25 70.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.459 -0.337 . . . . 1.11 110.771 -176.807 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 573' ' ' VAL . . . . . 0.437 HG13 ' HG2' ' A' ' 592' ' ' MET . 94.2 t -66.91 -37.06 78.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.607 -0.269 . . . . 1.05 111.37 -176.494 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -58.89 -37.59 76.94 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.638 -0.425 . . . . 2.38 110.008 176.082 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 60.8 t80 -69.26 -49.74 53.33 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.218 -0.446 . . . . 0.99 110.744 173.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 576' ' ' TYR . . . . . 0.459 ' CB ' ' HB ' ' A' ' 590' ' ' ILE . 21.8 m-85 -74.52 -16.76 60.82 Favored 'General case' 0 C--O 1.222 -0.369 0 N-CA-C 113.237 0.829 . . . . 0.38 113.237 -171.401 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -79.75 -26.96 40.57 Favored 'General case' 0 C--N 1.315 -0.894 0 C-N-CA 119.95 -0.7 . . . . 1.86 110.861 175.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -97.63 -38.98 9.32 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.21 0.529 . . . . 2.07 110.906 176.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -127.36 82.33 68.41 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-N 115.798 -0.637 . . . . 2.57 109.609 174.197 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_exo -71.68 160.08 49.16 Favored 'Trans proline' 0 C--O 1.233 0.259 0 C-N-CA 123.432 2.755 . . . . 0.21 112.654 -176.036 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -93.03 152.85 19.05 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.175 -0.466 . . . . 1.02 110.348 -175.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 582' ' ' ILE . . . . . 0.455 HG12 ' HG2' ' A' ' 587' ' ' LYS . 63.7 mt -116.15 133.27 63.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 N-CA-C 112.286 0.476 . . . . 1.16 112.286 -170.782 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 583' ' ' ILE . . . . . 0.402 HD13 HD13 ' A' ' 588' ' ' LEU . 29.7 mt -122.64 121.94 64.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.093 -0.503 . . . . 1.42 110.084 169.618 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 584' ' ' ASN . . . . . 0.458 ' ND2' ' HB3' ' A' ' 531' ' ' SER . 5.2 m-20 59.5 36.85 23.06 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 116.378 -0.373 . . . . 1.7 111.731 177.61 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 80.72 -0.53 85.96 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.662 -0.78 . . . . 0.69 112.887 178.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -102.25 127.23 49.31 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.845 -0.428 . . . . 1.93 109.845 -179.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 587' ' ' LYS . . . . . 0.455 ' HG2' HG12 ' A' ' 582' ' ' ILE . 99.4 mttt -82.02 113.21 19.76 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.04 0.447 . . . . 2.64 110.573 -178.514 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 588' ' ' LEU . . . . . 0.52 HD12 ' CD1' ' A' ' 540' ' ' LEU . 38.4 mt -86.67 125.02 33.57 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.812 -0.631 . . . . 1.09 110.21 -179.79 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 39.4 tp -83.39 109.52 17.38 Favored 'General case' 0 C--N 1.31 -1.14 0 N-CA-C 108.541 -0.911 . . . . 1.1 108.541 174.293 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 590' ' ' ILE . . . . . 0.459 ' HB ' ' CB ' ' A' ' 576' ' ' TYR . 45.9 mt -95.15 116.21 36.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 N-CA-C 108.698 -0.853 . . . . 1.04 108.698 179.199 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 80.0 mtp180 -124.37 157.62 34.62 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.94 -0.573 . . . . 3.66 111.913 -169.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 592' ' ' MET . . . . . 0.437 ' HG2' HG13 ' A' ' 573' ' ' VAL . 0.4 OUTLIER -72.0 127.07 31.4 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 108.612 -0.885 . . . . 1.06 108.612 171.738 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 13.1 t -84.27 131.31 34.74 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.503 -0.479 . . . . 1.57 111.434 -174.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 17.5 m -98.89 -10.18 23.19 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.5 -0.773 . . . . 2.17 109.696 173.393 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 73.0 mtt180 -81.64 -40.42 22.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.69 -0.687 . . . . 3.39 110.741 -177.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -116.3 137.11 52.42 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.081 0.467 . . . . 1.27 110.568 176.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 597' ' ' LYS . . . . . 0.47 ' C ' ' HD3' ' A' ' 597' ' ' LYS . 13.7 tmtt? -89.58 -41.21 12.12 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.556 -0.747 . . . . 3.84 109.432 176.004 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 598' ' ' GLU . . . . . 0.424 ' HA ' ' OE2' ' A' ' 562' ' ' GLU . 11.3 pt-20 -154.08 146.52 23.99 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.642 -0.708 . . . . 2.02 110.174 -179.348 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 599' ' ' LEU . . . . . . . . . . . . . 60.2 mt . . . . . 0 C--N 1.322 -0.622 0 CA-C-N 116.359 -0.382 . . . . 1.09 110.338 177.976 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 76.6 t . . . . . 0 N--CA 1.456 -0.157 0 CA-C-O 120.878 0.371 . . . . 1.08 110.573 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 522' ' ' VAL . . . . . . . . . . . . . 59.9 t -106.47 135.07 46.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 116.103 -0.498 . . . . 1.07 110.409 177.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 523' ' ' HIS . . . . . 0.492 ' ND1' ' HA ' ' A' ' 593' ' ' SER . 2.1 p-80 -109.12 140.52 42.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.244 0.545 . . . . 2.21 110.927 177.366 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 524' ' ' ILE . . . . . 0.444 HD13 HG13 ' A' ' 537' ' ' VAL . 71.2 mt -115.66 138.54 45.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-N 115.428 -0.806 . . . . 1.06 110.495 -179.158 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 5.8 p -125.64 175.65 7.43 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.019 -0.537 . . . . 2.22 110.795 -179.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 69.69 29.23 4.24 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 123.693 0.62 . . . . 1.74 110.734 -177.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 80.1 mt -89.03 121.64 69.48 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 116.015 -0.539 . . . . 1.09 110.877 -176.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 528' ' ' PRO . . . . . 0.61 ' HD2' ' SG ' ' A' ' 532' ' ' CYS . 31.4 Cg_endo -67.68 130.92 23.06 Favored 'Trans proline' 0 N--CA 1.46 -0.48 0 C-N-CA 121.896 1.731 . . . . 0.88 111.753 174.561 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -68.68 125.3 26.11 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.616 -0.72 . . . . 2.98 111.343 -178.03 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 86.52 -18.17 35.25 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.955 -0.641 . . . . 0.97 113.346 174.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 4.4 t -93.13 -34.48 13.63 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 117.133 0.466 . . . . 1.63 110.68 -177.468 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 532' ' ' CYS . . . . . 0.61 ' SG ' ' HD2' ' A' ' 528' ' ' PRO . 70.9 m -85.07 133.17 34.24 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.521 -0.308 . . . . 1.73 110.506 177.491 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 69.6 p -104.45 170.83 7.67 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.848 -0.426 . . . . 1.27 109.848 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -54.7 -41.49 70.33 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.177 0.513 . . . . 1.32 109.783 177.305 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -61.79 -43.42 98.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.309 -0.86 . . . . 2.62 111.829 -175.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 536' ' ' ASP . . . . . 0.635 ' O ' ' HG ' ' A' ' 540' ' ' LEU . 26.2 m-20 -61.07 -48.63 80.83 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 121.151 0.5 . . . . 0.52 110.892 -175.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 537' ' ' VAL . . . . . 0.444 HG13 HD13 ' A' ' 524' ' ' ILE . 99.2 t -64.73 -44.97 96.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.357 -0.838 . . . . 1.07 110.69 -175.462 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 95.8 mt -64.01 -45.28 97.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.005 -0.543 . . . . 1.07 110.824 178.422 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 539' ' ' ASN . . . . . 0.631 ' O ' ' HD3' ' A' ' 543' ' ' PRO . 0.9 OUTLIER -64.48 -28.3 69.57 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.768 -0.651 . . . . 1.74 112.29 -176.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 540' ' ' LEU . . . . . 0.635 ' HG ' ' O ' ' A' ' 536' ' ' ASP . 53.6 mt -72.52 -32.41 66.11 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.318 0.488 . . . . 1.08 112.318 -177.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -79.69 -33.87 32.97 Favored Glycine 0 CA--C 1.518 0.235 0 C-N-CA 120.145 -1.026 . . . . 0.26 112.058 178.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 542' ' ' LEU . . . . . . . . . . . . . 68.2 mt -53.3 -39.89 75.24 Favored Pre-proline 0 CA--C 1.546 0.826 0 N-CA-C 115.526 1.676 . . . . 1.11 115.526 -175.186 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 543' ' ' PRO . . . . . 0.631 ' HD3' ' O ' ' A' ' 539' ' ' ASN . 96.8 Cg_exo -52.05 -35.28 60.93 Favored 'Trans proline' 0 C--N 1.356 0.952 0 C-N-CA 121.589 1.526 . . . . 0.22 115.07 -173.741 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -110.96 -17.73 13.23 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.9 0.704 . . . . 0.42 112.9 178.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 545' ' ' GLY . . . . . 0.5 ' HA3' ' CE ' ' A' ' 572' ' ' MET . . . -128.0 -151.12 7.49 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.797 -0.716 . . . . 1.14 113.264 179.132 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 546' ' ' LYS . . . . . 0.561 ' O ' ' HA ' ' A' ' 563' ' ' MET . 53.0 tttp -149.49 139.44 21.97 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 110.571 -0.159 . . . . 2.18 110.571 177.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 547' ' ' VAL . . . . . 0.471 ' HA ' ' O ' ' A' ' 562' ' ' GLU . 96.5 t -102.53 133.11 47.14 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.482 0 O-C-N 123.479 0.487 . . . . 1.06 111.658 -174.486 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 26.0 p -107.63 -34.44 7.0 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.608 -0.724 . . . . 1.05 111.951 176.207 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 49.9 m-80 -152.28 167.07 29.83 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 115.881 -0.6 . . . . 1.46 109.453 -178.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 52.1 p90 -147.12 149.68 33.5 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 121.0 -0.28 . . . . 0.99 110.723 176.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 25.4 mt -133.67 121.75 41.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 108.971 -0.751 . . . . 1.19 108.971 172.272 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 552' ' ' LEU . . . . . . . . . . . . . 82.6 mt -113.08 111.4 22.08 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.145 -0.48 . . . . 1.21 111.827 -173.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 66.1 mtt -108.75 84.48 1.94 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.464 0.649 . . . . 1.46 109.634 173.13 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -68.64 -30.34 69.03 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.406 -0.815 . . . . 1.98 111.201 -175.088 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 64.9 p -64.76 -32.02 73.52 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.125 -0.488 . . . . 1.26 111.743 -177.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 69.9 p -100.62 12.79 36.65 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 111.737 0.273 . . . . 1.41 111.737 -177.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 58.01 43.05 21.71 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 116.015 -0.539 . . . . 2.35 110.842 179.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 558' ' ' GLN . . . . . 0.516 ' HA ' HE21 ' A' ' 558' ' ' GLN . 0.0 OUTLIER -142.33 149.49 39.53 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.174 0.511 . . . . 2.3 111.225 -176.768 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 559' ' ' ALA . . . . . 0.472 ' O ' ' HA ' ' A' ' 523' ' ' HIS . . . -137.18 143.75 42.55 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.906 -0.588 . . . . 1.06 109.646 173.516 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 560' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -120.68 126.62 50.67 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.632 -0.507 . . . . 0.45 109.632 178.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 561' ' ' LEU . . . . . 0.426 HD23 ' HE2' ' A' ' 563' ' ' MET . 14.6 tp -121.89 130.64 53.51 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.967 -0.561 . . . . 1.06 109.797 -176.374 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 562' ' ' GLU . . . . . 0.471 ' O ' ' HA ' ' A' ' 547' ' ' VAL . 32.7 tt0 -99.47 137.52 37.86 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.387 -0.369 . . . . 1.85 110.255 -173.277 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 563' ' ' MET . . . . . 0.629 ' HE3' ' SD ' ' A' ' 572' ' ' MET . 20.3 mmt -115.84 135.45 53.99 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.427 0.632 . . . . 1.16 111.546 -172.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -61.76 -31.18 71.35 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-N 114.779 -1.101 . . . . 1.13 111.754 -177.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 50.0 m-85 -131.14 141.05 50.06 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.674 -0.694 . . . . 1.44 109.561 -175.457 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 8.8 t -66.19 -30.78 71.32 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.934 -0.575 . . . . 1.18 110.351 178.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -66.67 -37.19 84.27 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.073 0.463 . . . . 1.91 109.999 175.074 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 568' ' ' ALA . . . . . 0.494 ' HB2' ' CA ' ' A' ' 545' ' ' GLY . . . -63.59 -45.27 91.13 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.47 -0.786 . . . . 1.07 110.519 -179.244 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -67.53 -46.58 72.41 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.651 -0.704 . . . . 1.06 111.654 -177.167 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 570' ' ' GLN . . . . . 0.498 ' O ' ' HG2' ' A' ' 574' ' ' GLN . 47.5 mt-30 -68.73 -45.39 71.64 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.238 -0.437 . . . . 1.35 111.28 -177.231 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -62.24 -42.83 99.67 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.338 -0.392 . . . . 1.09 111.568 -175.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 572' ' ' MET . . . . . 0.629 ' SD ' ' HE3' ' A' ' 563' ' ' MET . 17.7 ptp -64.92 -45.1 87.25 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 120.758 -0.377 . . . . 1.11 110.344 -179.153 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 573' ' ' VAL . . . . . 0.518 ' CG1' ' HA ' ' A' ' 591' ' ' ARG . 65.2 t -66.91 -37.71 79.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.131 -0.486 . . . . 1.05 111.79 -175.839 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 574' ' ' GLN . . . . . 0.498 ' HG2' ' O ' ' A' ' 570' ' ' GLN . 15.8 mm100 -59.36 -37.45 77.91 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.662 -0.495 . . . . 2.38 109.662 177.736 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 58.4 t80 -69.34 -49.25 57.38 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.921 -0.582 . . . . 0.99 110.84 173.359 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 576' ' ' TYR . . . . . 0.511 ' CE1' ' HB2' ' A' ' 572' ' ' MET . 18.6 m-85 -74.88 -17.19 60.62 Favored 'General case' 0 C--O 1.222 -0.387 0 N-CA-C 113.184 0.809 . . . . 0.38 113.184 -171.62 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -78.91 -27.97 43.89 Favored 'General case' 0 C--N 1.317 -0.813 0 C-N-CA 119.929 -0.709 . . . . 1.86 110.487 174.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 39.7 mm-40 -96.66 -38.72 9.82 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.128 0.489 . . . . 2.07 110.819 179.281 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 58.8 mtpt -130.45 79.42 72.37 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-N 115.761 -0.654 . . . . 2.57 109.647 176.08 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_exo -69.36 160.35 50.14 Favored 'Trans proline' 0 C--O 1.233 0.231 0 C-N-CA 123.607 2.871 . . . . 0.21 113.188 -173.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -91.84 152.81 19.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.01 -0.541 . . . . 1.02 110.144 -176.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 44.8 mt -121.28 131.52 72.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 112.154 0.427 . . . . 1.16 112.154 -168.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 583' ' ' ILE . . . . . 0.448 HD11 HD13 ' A' ' 588' ' ' LEU . 38.1 mt -121.25 123.07 69.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.108 -0.496 . . . . 1.42 109.995 172.401 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 73.4 m-20 59.71 33.61 21.89 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 122.702 0.401 . . . . 1.7 111.305 177.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 79.01 3.25 88.07 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.397 -0.906 . . . . 0.69 112.375 -179.059 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -102.69 126.49 49.82 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.672 -0.492 . . . . 1.93 109.672 178.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 587' ' ' LYS . . . . . 0.472 ' HZ1' ' HB2' ' A' ' 587' ' ' LYS . 9.6 mtmp? -83.62 114.03 21.26 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.05 -0.523 . . . . 2.64 110.749 -175.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 588' ' ' LEU . . . . . 0.448 HD12 ' CD1' ' A' ' 540' ' ' LEU . 37.8 mt -87.83 124.25 33.44 Favored 'General case' 0 CA--C 1.505 -0.786 0 CA-C-N 115.674 -0.694 . . . . 1.09 109.793 179.234 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 32.4 tp -83.57 108.88 16.97 Favored 'General case' 0 N--CA 1.438 -1.037 0 N-CA-C 108.165 -1.05 . . . . 1.1 108.165 173.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 590' ' ' ILE . . . . . 0.494 ' HB ' ' CB ' ' A' ' 576' ' ' TYR . 38.6 mt -95.62 115.78 35.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 N-CA-C 108.314 -0.995 . . . . 1.04 108.314 179.549 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 591' ' ' ARG . . . . . 0.518 ' HA ' ' CG1' ' A' ' 573' ' ' VAL . 25.9 ptt180 -144.89 161.39 39.44 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.864 0.69 . . . . 3.66 112.864 -171.767 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 592' ' ' MET . . . . . 0.47 ' HG2' HG12 ' A' ' 573' ' ' VAL . 0.2 OUTLIER -64.16 129.16 38.88 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 114.899 -1.046 . . . . 1.06 111.219 -171.748 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 593' ' ' SER . . . . . 0.492 ' HA ' ' ND1' ' A' ' 523' ' ' HIS . 20.2 t -88.52 129.06 35.55 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.404 -0.362 . . . . 1.57 111.051 -178.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 20.0 m -96.02 -29.59 14.05 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.388 -0.369 . . . . 2.17 110.469 178.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -59.84 -40.8 89.73 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.12 -0.491 . . . . 3.39 111.084 -178.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -118.48 132.75 56.22 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.979 0.419 . . . . 1.27 110.388 -179.065 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 44.5 mmtm -91.82 -33.8 14.82 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.756 -0.831 . . . . 3.84 108.756 171.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -146.82 149.93 34.29 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.414 -1.266 . . . . 2.02 108.452 174.809 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 599' ' ' LEU . . . . . 0.447 HD12 ' HB2' ' A' ' 562' ' ' GLU . 92.9 mt . . . . . 0 C--N 1.322 -0.603 0 N-CA-C 109.913 -0.403 . . . . 1.09 109.913 -179.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 90.5 t . . . . . 0 N--CA 1.449 -0.51 0 CA-C-O 121.065 0.459 . . . . 1.08 110.234 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 522' ' ' VAL . . . . . 0.413 HG12 ' O ' ' A' ' 591' ' ' ARG . 73.7 t -102.31 133.97 44.41 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.088 0 CA-C-N 115.81 -0.632 . . . . 1.07 109.96 172.834 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 523' ' ' HIS . . . . . 0.486 ' HE2' ' HG2' ' A' ' 558' ' ' GLN . 2.2 t-80 -105.1 118.19 35.9 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.55 -0.75 . . . . 2.21 109.294 179.547 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 524' ' ' ILE . . . . . . . . . . . . . 72.5 mt -103.6 129.58 55.38 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.876 0 CA-C-N 115.45 -0.796 . . . . 1.06 109.595 178.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 3.1 p -126.93 175.06 8.34 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.893 -0.594 . . . . 2.22 110.635 -177.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 66.6 32.68 6.99 Favored 'General case' 0 N--CA 1.466 0.339 0 O-C-N 123.703 0.627 . . . . 1.74 109.939 -175.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 82.1 mt -84.66 122.68 74.83 Favored Pre-proline 0 C--N 1.322 -0.613 0 CA-C-N 115.645 -0.707 . . . . 1.09 110.194 -178.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 528' ' ' PRO . . . . . 0.429 ' HD2' ' SG ' ' A' ' 532' ' ' CYS . 19.8 Cg_endo -64.19 130.45 27.2 Favored 'Trans proline' 0 C--O 1.236 0.42 0 C-N-CA 121.896 1.731 . . . . 0.88 112.262 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -69.71 126.74 30.62 Favored 'General case' 0 N--CA 1.443 -0.823 0 CA-C-N 115.243 -0.89 . . . . 2.98 111.037 -179.21 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 75.79 15.65 81.18 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 121.047 -0.597 . . . . 0.97 112.682 177.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 9.2 m -121.45 -33.87 3.56 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 120.92 0.391 . . . . 1.63 111.455 -178.1 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 532' ' ' CYS . . . . . 0.429 ' SG ' ' HD2' ' A' ' 528' ' ' PRO . 39.7 m -84.95 137.14 33.28 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.317 -0.402 . . . . 1.73 111.137 -175.778 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 70.9 p -105.29 170.6 7.79 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.471 -0.566 . . . . 1.27 109.471 175.159 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -62.26 -38.65 90.11 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.147 0.498 . . . . 1.32 109.699 176.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -68.35 -44.44 75.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.503 -0.771 . . . . 2.62 111.995 -176.093 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 536' ' ' ASP . . . . . 0.491 ' O ' ' HG ' ' A' ' 540' ' ' LEU . 69.4 m-20 -60.64 -46.86 88.71 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 120.735 0.303 . . . . 0.52 111.31 -173.818 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 61.4 t -63.34 -43.78 98.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.006 -0.543 . . . . 1.07 110.795 -177.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 78.6 mt -66.82 -44.57 89.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 1.07 110.415 178.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 539' ' ' ASN . . . . . 0.489 ' O ' ' HD3' ' A' ' 543' ' ' PRO . 95.2 m-20 -61.58 -28.95 69.71 Favored 'General case' 0 C--O 1.225 -0.216 0 CA-C-N 115.892 -0.595 . . . . 1.74 111.678 -178.562 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 540' ' ' LEU . . . . . 0.491 ' HG ' ' O ' ' A' ' 536' ' ' ASP . 46.9 mt -74.56 -34.71 62.98 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 111.627 0.232 . . . . 1.08 111.627 178.091 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -75.34 -43.46 25.08 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.225 -0.988 . . . . 0.26 112.03 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 542' ' ' LEU . . . . . 0.431 ' HA ' ' O ' ' A' ' 545' ' ' GLY . 79.1 mt -47.54 -44.7 55.54 Favored Pre-proline 0 CA--C 1.546 0.818 0 N-CA-C 115.323 1.601 . . . . 1.11 115.323 -173.484 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 543' ' ' PRO . . . . . 0.489 ' HD3' ' O ' ' A' ' 539' ' ' ASN . 76.0 Cg_exo -50.47 -34.9 43.6 Favored 'Trans proline' 0 C--N 1.357 1.021 0 C-N-CA 122.01 1.806 . . . . 0.22 115.724 -171.698 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -110.91 -18.8 13.0 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 119.861 -0.736 . . . . 0.42 112.795 179.316 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 545' ' ' GLY . . . . . 0.431 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . -143.72 138.65 8.23 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.679 -0.772 . . . . 1.14 112.973 175.034 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 59.4 tptt -78.95 142.54 36.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.645 0.259 . . . . 2.18 110.748 -177.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 92.1 t -104.68 136.02 40.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.988 -0.551 . . . . 1.06 111.473 -175.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 39.2 p -96.41 -40.13 9.26 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.064 -0.516 . . . . 1.05 111.076 177.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -163.61 168.92 19.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.984 -0.553 . . . . 1.46 109.635 179.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 14.1 p90 -140.55 150.83 44.17 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.877 0.37 . . . . 0.99 111.325 -174.271 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 50.8 mt -132.21 122.65 48.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 108.952 -0.758 . . . . 1.19 108.952 172.14 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 552' ' ' LEU . . . . . . . . . . . . . 91.0 mt -110.78 113.59 26.3 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 120.931 0.396 . . . . 1.21 111.442 -177.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 58.8 mtt -109.62 84.06 1.86 Allowed 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.247 -0.649 . . . . 1.46 109.247 171.314 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp -67.65 -30.91 70.59 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.0 -0.545 . . . . 1.98 110.722 -175.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 65.7 p -60.07 -27.93 67.38 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.458 -0.792 . . . . 1.26 111.401 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 81.8 p -98.58 8.0 45.45 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.488 -0.323 . . . . 1.41 110.965 -177.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 55.95 42.58 28.55 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.498 -0.774 . . . . 2.35 110.04 -176.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 558' ' ' GLN . . . . . 0.486 ' HG2' ' HE2' ' A' ' 523' ' ' HIS . 24.6 mt-30 -144.41 149.76 36.6 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.547 -0.751 . . . . 2.3 110.838 -173.835 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -130.01 142.74 50.59 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 115.626 -0.715 . . . . 1.06 109.491 174.225 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 560' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -124.06 126.14 45.73 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.229 0.537 . . . . 0.45 109.614 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 561' ' ' LEU . . . . . 0.459 ' HB3' ' HE2' ' A' ' 563' ' ' MET . 15.7 tp -129.78 132.52 46.56 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 115.505 -0.771 . . . . 1.06 109.026 -173.359 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 562' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -100.11 128.53 46.17 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-O 121.14 0.495 . . . . 1.85 110.53 -177.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 563' ' ' MET . . . . . 0.683 ' HG2' ' SD ' ' A' ' 572' ' ' MET . 1.0 OUTLIER -103.45 137.66 41.24 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.574 -0.739 . . . . 1.16 110.311 -179.15 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -60.19 -38.12 82.31 Favored 'General case' 0 C--O 1.218 -0.559 0 CA-C-N 114.393 -1.276 . . . . 1.13 111.651 -174.226 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -117.42 141.16 48.67 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.537 -0.542 . . . . 1.44 109.537 -177.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 9.7 t -64.76 -34.88 79.37 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.217 -0.447 . . . . 1.18 110.398 179.132 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -67.87 -36.05 79.59 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.094 -0.503 . . . . 1.91 110.904 176.29 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 568' ' ' ALA . . . . . 0.401 ' HB1' ' HA2' ' A' ' 545' ' ' GLY . . . -62.65 -46.09 89.83 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.992 -0.549 . . . . 1.07 110.603 179.611 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 569' ' ' ALA . . . . . 0.841 ' HA ' ' SD ' ' A' ' 572' ' ' MET . . . -63.38 -45.23 92.07 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.688 -0.687 . . . . 1.06 111.522 -178.441 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 570' ' ' GLN . . . . . 0.535 ' O ' ' HG3' ' A' ' 574' ' ' GLN . 48.7 mt-30 -68.32 -45.9 71.71 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.147 -0.479 . . . . 1.35 111.193 -178.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -66.01 -35.52 80.79 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.527 -0.306 . . . . 1.09 111.506 -176.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 572' ' ' MET . . . . . 0.841 ' SD ' ' HA ' ' A' ' 569' ' ' ALA . 4.2 ptm -67.17 -45.94 75.47 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.84 -0.429 . . . . 1.11 109.84 179.243 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 573' ' ' VAL . . . . . 0.503 ' N ' ' HG2' ' A' ' 572' ' ' MET . 55.5 t -66.67 -36.92 78.42 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.444 0 CA-C-N 116.281 -0.418 . . . . 1.05 110.66 -178.815 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 574' ' ' GLN . . . . . 0.535 ' HG3' ' O ' ' A' ' 570' ' ' GLN . 55.7 mt-30 -58.55 -36.33 73.73 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.683 -0.488 . . . . 2.38 109.683 176.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 81.9 t80 -68.23 -50.35 54.63 Favored 'General case' 0 C--O 1.221 -0.412 0 CA-C-N 116.446 -0.343 . . . . 0.99 111.014 173.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 576' ' ' TYR . . . . . 0.415 ' CB ' ' HB ' ' A' ' 590' ' ' ILE . 28.1 m-85 -74.08 -16.08 61.04 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 112.329 0.492 . . . . 0.38 112.329 -173.362 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 67.4 mm-40 -74.99 -30.76 61.26 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 120.743 0.306 . . . . 1.86 111.192 173.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -98.5 -40.18 8.38 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.002 0.43 . . . . 2.07 111.295 177.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 60.0 mtpt -128.55 81.8 69.93 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-N 115.857 -0.61 . . . . 2.57 109.528 177.146 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -70.01 160.12 50.77 Favored 'Trans proline' 0 C--O 1.234 0.292 0 C-N-CA 123.548 2.832 . . . . 0.21 112.565 -174.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -92.56 153.43 19.05 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.143 -0.48 . . . . 1.02 110.458 -175.172 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 60.7 mt -121.25 135.88 59.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 112.018 0.377 . . . . 1.16 112.018 -170.333 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 583' ' ' ILE . . . . . . . . . . . . . 24.4 mt -122.29 120.96 62.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 116.241 -0.436 . . . . 1.42 110.199 171.349 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 56.59 35.7 26.47 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 115.977 -0.556 . . . . 1.7 111.718 177.024 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 85.56 1.75 87.47 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.786 -0.721 . . . . 0.69 112.847 177.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -106.5 127.01 52.98 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.794 0.33 . . . . 1.93 110.348 179.041 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -81.23 118.52 22.66 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.104 -0.498 . . . . 2.64 110.303 -178.299 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 588' ' ' LEU . . . . . . . . . . . . . 37.6 mt -90.12 140.45 29.64 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.856 -0.611 . . . . 1.09 110.212 -179.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 59.0 tp -89.52 108.1 19.46 Favored 'General case' 0 C--N 1.312 -1.046 0 N-CA-C 108.621 -0.881 . . . . 1.1 108.621 171.146 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 590' ' ' ILE . . . . . 0.415 ' HB ' ' CB ' ' A' ' 576' ' ' TYR . 52.5 mt -97.17 114.3 33.81 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 N-CA-C 107.648 -1.242 . . . . 1.04 107.648 174.486 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 591' ' ' ARG . . . . . 0.413 ' O ' HG12 ' A' ' 522' ' ' VAL . 12.4 ptm180 -137.95 163.56 31.22 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.185 0.516 . . . . 3.66 112.289 -172.368 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 592' ' ' MET . . . . . 0.43 ' HG2' HG13 ' A' ' 573' ' ' VAL . 0.1 OUTLIER -66.77 129.73 40.84 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.404 -0.816 . . . . 1.06 109.452 177.839 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 92.4 p -72.64 138.64 46.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.025 0.44 . . . . 1.57 110.17 179.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 14.0 p -98.66 -15.47 19.4 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 116.095 -0.502 . . . . 2.17 111.503 -178.151 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 51.2 mtm180 -107.34 -12.31 15.36 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 111.822 0.305 . . . . 3.39 111.822 -176.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 35.6 m-85 -122.57 133.43 54.55 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.945 0.402 . . . . 1.27 111.048 -176.256 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -92.66 -41.96 9.89 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.277 0.56 . . . . 3.84 109.55 172.116 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -152.87 163.29 40.04 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.131 -0.94 . . . . 2.02 109.026 178.103 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 599' ' ' LEU . . . . . . . . . . . . . 98.1 mt . . . . . 0 C--N 1.322 -0.617 0 N-CA-C 109.986 -0.375 . . . . 1.09 109.986 179.435 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 74.0 t . . . . . 0 N--CA 1.449 -0.512 0 CA-C-O 121.471 0.653 . . . . 1.08 111.728 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 522' ' ' VAL . . . . . . . . . . . . . 84.5 t -106.7 135.25 45.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-N 114.861 -1.063 . . . . 1.07 108.983 173.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 4.2 p-80 -105.37 137.03 43.84 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.238 -0.585 . . . . 2.21 109.587 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 524' ' ' ILE . . . . . . . . . . . . . 74.1 mt -111.36 125.48 68.68 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.952 0 CA-C-N 115.588 -0.733 . . . . 1.06 110.191 179.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 525' ' ' CYS . . . . . 0.487 ' SG ' ' HB3' ' A' ' 589' ' ' LEU . 22.7 p -118.15 176.53 5.17 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.664 -0.698 . . . . 2.22 110.195 -178.523 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 526' ' ' ASN . . . . . 0.408 ' HB2' ' O ' ' A' ' 525' ' ' CYS . 18.7 m120 69.76 26.52 4.85 Favored 'General case' 0 N--CA 1.464 0.237 0 O-C-N 123.829 0.705 . . . . 1.74 110.349 -177.442 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 79.0 mt -81.81 121.72 79.6 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 115.764 -0.653 . . . . 1.09 111.485 -176.405 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 528' ' ' PRO . . . . . 0.503 ' HD2' ' SG ' ' A' ' 532' ' ' CYS . 45.9 Cg_endo -69.28 133.01 25.35 Favored 'Trans proline' 0 C--O 1.236 0.424 0 C-N-CA 122.875 2.384 . . . . 0.88 111.823 174.596 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -67.52 124.62 23.71 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.905 -0.589 . . . . 2.98 111.135 -177.214 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 73.15 5.96 67.51 Favored Glycine 0 CA--C 1.519 0.327 0 CA-C-N 116.131 -0.486 . . . . 0.97 113.703 174.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 23.6 t -104.9 -35.56 7.66 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 117.301 0.55 . . . . 1.63 110.613 -179.143 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 532' ' ' CYS . . . . . 0.503 ' SG ' ' HD2' ' A' ' 528' ' ' PRO . 76.5 m -85.91 141.96 29.19 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.371 -0.377 . . . . 1.73 110.17 176.089 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 46.8 p -105.39 170.02 8.13 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.81 -0.441 . . . . 1.27 109.81 178.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -55.34 -44.13 75.62 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.23 0.538 . . . . 1.32 109.845 175.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.27 -43.11 87.37 Favored 'General case' 0 C--O 1.221 -0.436 0 CA-C-N 115.289 -0.869 . . . . 2.62 111.641 -175.139 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 536' ' ' ASP . . . . . 0.588 ' O ' ' HG ' ' A' ' 540' ' ' LEU . 15.7 m-20 -58.55 -46.81 86.06 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.881 -0.328 . . . . 0.52 111.356 -177.26 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 48.6 t -62.36 -45.48 98.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.961 -0.563 . . . . 1.07 110.734 -177.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 88.9 mt -67.26 -44.96 87.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.915 -0.584 . . . . 1.07 110.925 179.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 539' ' ' ASN . . . . . 0.512 ' O ' ' HD3' ' A' ' 543' ' ' PRO . 5.8 m-20 -62.93 -28.28 69.96 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.495 -0.775 . . . . 1.74 111.832 -177.43 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 540' ' ' LEU . . . . . 0.588 ' HG ' ' O ' ' A' ' 536' ' ' ASP . 31.6 mt -66.25 -38.93 89.03 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 111.74 0.274 . . . . 1.08 111.74 178.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -74.89 -39.18 39.46 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.28 -0.962 . . . . 0.26 112.455 -177.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 542' ' ' LEU . . . . . 0.476 ' HA ' ' O ' ' A' ' 545' ' ' GLY . 79.1 mt -48.72 -46.62 72.41 Favored Pre-proline 0 CA--C 1.543 0.707 0 N-CA-C 114.969 1.47 . . . . 1.11 114.969 -172.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 543' ' ' PRO . . . . . 0.512 ' HD3' ' O ' ' A' ' 539' ' ' ASN . 69.7 Cg_exo -49.74 -33.75 33.28 Favored 'Trans proline' 0 C--N 1.358 1.027 0 C-N-CA 122.191 1.928 . . . . 0.22 115.374 -173.29 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 544' ' ' PHE . . . . . 0.479 ' HB2' ' CB ' ' A' ' 572' ' ' MET . 93.6 m-85 -111.32 -17.98 13.03 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 113.012 0.745 . . . . 0.42 113.012 178.809 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 545' ' ' GLY . . . . . 0.476 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . -149.67 141.74 9.13 Favored Glycine 0 CA--C 1.522 0.503 0 C-N-CA 120.912 -0.661 . . . . 1.14 112.935 177.004 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 546' ' ' LYS . . . . . 0.432 ' O ' ' HA ' ' A' ' 563' ' ' MET . 59.1 tptt -74.41 135.59 42.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.758 0.313 . . . . 2.18 111.377 -178.609 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 547' ' ' VAL . . . . . 0.479 ' HA ' ' O ' ' A' ' 562' ' ' GLU . 89.3 t -91.68 136.08 25.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.646 -0.706 . . . . 1.06 110.961 179.128 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 31.7 p -104.31 -38.26 6.92 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.771 -0.65 . . . . 1.05 111.505 176.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 60.3 m-80 -150.12 165.79 31.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.011 -0.54 . . . . 1.46 110.248 -176.142 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 18.2 p90 -146.83 149.66 33.73 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 110.005 -0.368 . . . . 0.99 110.005 173.451 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 34.6 mt -137.59 127.35 36.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 109.078 -0.712 . . . . 1.19 109.078 173.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 552' ' ' LEU . . . . . . . . . . . . . 53.4 mt -110.18 110.78 21.75 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 116.111 -0.495 . . . . 1.21 111.179 -175.107 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 26.3 mmt -96.04 84.11 3.76 Favored 'General case' 0 N--CA 1.445 -0.694 0 N-CA-C 108.865 -0.791 . . . . 1.46 108.865 175.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -68.6 -29.42 67.94 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.229 -0.896 . . . . 1.98 109.804 -179.455 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 61.2 p -63.16 -31.48 72.63 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.19 -0.914 . . . . 1.26 111.878 178.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 82.8 p -105.22 3.15 29.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.872 0.367 . . . . 1.41 110.574 -178.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 56.92 41.52 27.71 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.175 -0.92 . . . . 2.35 110.87 -176.446 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 -137.94 150.07 46.73 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.938 -0.574 . . . . 2.3 110.242 -174.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -129.95 143.79 50.98 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.724 0.297 . . . . 1.06 111.032 -178.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 560' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -126.18 132.99 51.68 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.866 -0.607 . . . . 0.45 110.131 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 18.1 tp -127.16 138.7 53.2 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.049 -0.523 . . . . 1.06 109.971 -175.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 562' ' ' GLU . . . . . 0.479 ' O ' ' HA ' ' A' ' 547' ' ' VAL . 30.8 tt0 -107.63 138.85 43.11 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.481 0.182 . . . . 1.85 110.966 -175.442 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 563' ' ' MET . . . . . 0.764 ' HE3' ' SD ' ' A' ' 572' ' ' MET . 1.2 mpt? -116.33 142.86 46.3 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.323 0.582 . . . . 1.16 111.779 -177.388 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -67.24 -23.24 65.69 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.075 -0.966 . . . . 1.13 112.317 -175.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -133.91 146.35 50.44 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 116.532 -0.303 . . . . 1.44 110.187 -179.121 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 4.1 t -65.39 -39.63 92.48 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.221 -0.445 . . . . 1.18 110.582 179.409 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -67.85 -31.66 71.63 Favored 'General case' 0 C--O 1.223 -0.291 0 CA-C-N 116.662 -0.245 . . . . 1.91 110.509 176.281 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 568' ' ' ALA . . . . . 0.419 ' HB3' ' CA ' ' A' ' 545' ' ' GLY . . . -62.11 -45.14 94.8 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.012 0.434 . . . . 1.07 109.923 177.839 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 569' ' ' ALA . . . . . 0.432 ' O ' ' HG2' ' A' ' 572' ' ' MET . . . -68.09 -46.3 71.37 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.782 -0.644 . . . . 1.06 111.384 178.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 570' ' ' GLN . . . . . 0.455 ' O ' ' HG3' ' A' ' 574' ' ' GLN . 50.4 mt-30 -68.51 -45.47 72.19 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.36 -0.382 . . . . 1.35 111.604 -176.821 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -62.18 -39.86 94.11 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.523 0.201 . . . . 1.09 111.393 -176.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 572' ' ' MET . . . . . 0.764 ' SD ' ' HE3' ' A' ' 563' ' ' MET . 15.5 ptp -67.06 -43.45 82.65 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 109.678 -0.49 . . . . 1.11 109.678 179.413 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 573' ' ' VAL . . . . . 0.501 ' CG1' ' HA ' ' A' ' 591' ' ' ARG . 67.8 t -66.62 -37.04 78.72 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.666 0 CA-C-N 115.99 -0.55 . . . . 1.05 111.169 -178.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 574' ' ' GLN . . . . . 0.455 ' HG3' ' O ' ' A' ' 570' ' ' GLN . 55.1 mt-30 -58.56 -36.76 74.44 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.643 -0.502 . . . . 2.38 109.643 175.494 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 61.8 t80 -68.71 -50.05 53.98 Favored 'General case' 0 C--O 1.217 -0.638 0 CA-C-N 115.987 -0.551 . . . . 0.99 110.8 173.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 576' ' ' TYR . . . . . 0.465 ' CB ' ' HB ' ' A' ' 590' ' ' ILE . 21.1 m-85 -76.59 -16.95 59.46 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 112.95 0.722 . . . . 0.38 112.95 -172.723 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 16.7 mm-40 -74.14 -29.64 61.9 Favored 'General case' 0 C--N 1.319 -0.757 0 O-C-N 122.215 -0.303 . . . . 1.86 110.465 172.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -98.34 -40.52 8.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.951 0.405 . . . . 2.07 111.74 178.426 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 57.2 mtpt -131.81 80.76 64.96 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 115.91 -0.586 . . . . 2.57 109.842 179.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 580' ' ' PRO . . . . . 0.415 ' HG3' ' O ' ' A' ' 576' ' ' TYR . 15.7 Cg_exo -70.35 159.43 53.0 Favored 'Trans proline' 0 CA--C 1.532 0.409 0 C-N-CA 123.577 2.851 . . . . 0.21 112.451 -174.759 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -93.15 149.2 21.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.325 -0.398 . . . . 1.02 111.055 -172.221 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 582' ' ' ILE . . . . . 0.471 HD11 ' HZ2' ' A' ' 587' ' ' LYS . 61.3 mt -112.25 131.33 64.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.378 -0.374 . . . . 1.16 111.508 -175.015 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 583' ' ' ILE . . . . . 0.456 ' CD1' ' HB3' ' A' ' 536' ' ' ASP . 41.7 mt -122.23 117.91 53.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.291 -0.413 . . . . 1.42 110.437 173.146 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 53.72 41.83 31.97 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.854 -0.612 . . . . 1.7 111.624 177.057 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 86.33 -1.37 87.45 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.872 -0.68 . . . . 0.69 113.337 177.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 586' ' ' GLU . . . . . 0.406 ' O ' ' HA ' ' A' ' 582' ' ' ILE . 70.5 mm-40 -102.51 126.23 49.49 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 117.139 0.47 . . . . 1.93 110.516 178.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 587' ' ' LYS . . . . . 0.471 ' HZ2' HD11 ' A' ' 582' ' ' ILE . 65.8 mttm -81.51 107.85 14.61 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.822 -0.436 . . . . 2.64 109.822 176.012 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 588' ' ' LEU . . . . . 0.435 HD13 HD12 ' A' ' 583' ' ' ILE . 37.8 mt -87.92 129.91 35.09 Favored 'General case' 0 CA--C 1.507 -0.708 0 CA-C-N 116.183 -0.462 . . . . 1.09 110.339 -179.192 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 589' ' ' LEU . . . . . 0.487 ' HB3' ' SG ' ' A' ' 525' ' ' CYS . 48.0 tp -87.62 108.76 19.23 Favored 'General case' 0 C--N 1.311 -1.08 0 N-CA-C 108.85 -0.796 . . . . 1.1 108.85 173.399 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 590' ' ' ILE . . . . . 0.465 ' HB ' ' CB ' ' A' ' 576' ' ' TYR . 45.1 mt -97.29 115.52 37.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 N-CA-C 108.334 -0.987 . . . . 1.04 108.334 177.222 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 591' ' ' ARG . . . . . 0.501 ' HA ' ' CG1' ' A' ' 573' ' ' VAL . 7.7 ptp180 -147.95 166.26 28.22 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 112.635 0.606 . . . . 3.66 112.635 -175.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 592' ' ' MET . . . . . 0.436 ' HG2' HG13 ' A' ' 573' ' ' VAL . 0.2 OUTLIER -61.7 133.87 56.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.239 -0.891 . . . . 1.06 110.249 -173.232 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 22.6 t -87.1 126.77 34.99 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-O 120.879 0.371 . . . . 1.57 110.372 179.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 39.5 p -99.29 -7.5 26.28 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.44 0.638 . . . . 2.17 110.074 175.397 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 36.3 mmt180 -87.61 -40.27 14.35 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 115.388 -0.823 . . . . 3.39 111.04 -179.259 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -117.47 133.24 56.18 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.059 0.457 . . . . 1.27 110.795 178.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -92.15 -34.96 14.12 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.52 -0.764 . . . . 3.84 110.865 175.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -149.23 144.75 26.73 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.572 -0.74 . . . . 2.02 110.263 -177.081 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 599' ' ' LEU . . . . . 0.423 HD11 ' HB2' ' A' ' 562' ' ' GLU . 87.8 mt . . . . . 0 C--N 1.32 -0.679 0 N-CA-C 109.388 -0.597 . . . . 1.09 109.388 173.153 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 81.4 t . . . . . 0 N--CA 1.449 -0.477 0 CA-C-O 121.006 0.432 . . . . 1.08 110.475 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 522' ' ' VAL . . . . . 0.418 HG23 ' HE1' ' A' ' 592' ' ' MET . 95.1 t -101.68 133.8 44.02 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.853 0 N-CA-C 109.093 -0.706 . . . . 1.07 109.093 173.494 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -106.92 129.42 54.74 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.5 -0.556 . . . . 2.21 109.5 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 524' ' ' ILE . . . . . 0.436 HD13 HG13 ' A' ' 537' ' ' VAL . 74.6 mt -107.36 129.21 61.59 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.958 0 CA-C-N 115.793 -0.64 . . . . 1.06 109.863 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 7.6 p -121.72 174.9 6.54 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.642 -0.708 . . . . 2.22 111.094 -174.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 16.9 m120 66.7 33.97 6.01 Favored 'General case' 0 N--CA 1.463 0.22 0 O-C-N 123.738 0.649 . . . . 1.74 110.555 178.327 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 85.2 mt -90.32 120.99 69.04 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 115.457 -0.792 . . . . 1.09 111.176 -177.122 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 528' ' ' PRO . . . . . 0.747 ' HD2' ' SG ' ' A' ' 532' ' ' CYS . 12.6 Cg_exo -70.21 131.04 19.8 Favored 'Trans proline' 0 C--O 1.237 0.431 0 C-N-CA 122.542 2.161 . . . . 0.88 111.926 171.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.42 140.33 54.13 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.374 -0.375 . . . . 2.98 110.772 175.333 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 83.73 -18.45 20.29 Favored Glycine 0 N--CA 1.448 -0.52 0 CA-C-N 115.906 -0.588 . . . . 0.97 113.513 177.13 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 17.8 m -104.74 -36.8 7.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 117.325 0.563 . . . . 1.63 110.831 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 532' ' ' CYS . . . . . 0.747 ' SG ' ' HD2' ' A' ' 528' ' ' PRO . 73.5 m -87.8 124.98 34.18 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.753 0.311 . . . . 1.73 110.214 174.349 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 59.2 p -108.37 171.13 7.59 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.375 -0.375 . . . . 1.27 110.227 178.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -52.21 -46.94 65.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.032 0.444 . . . . 1.32 110.24 178.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -59.56 -43.13 93.65 Favored 'General case' 0 C--O 1.223 -0.294 0 CA-C-N 115.448 -0.796 . . . . 2.62 111.599 -177.475 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 536' ' ' ASP . . . . . 0.499 ' O ' ' HG ' ' A' ' 540' ' ' LEU . 60.8 m-20 -61.29 -47.64 85.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.837 0.351 . . . . 0.52 111.127 -174.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 537' ' ' VAL . . . . . 0.436 HG13 HD13 ' A' ' 524' ' ' ILE . 57.6 t -65.65 -44.39 93.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.723 -0.671 . . . . 1.07 110.628 -177.108 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 93.0 mt -67.0 -43.15 89.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.757 -0.656 . . . . 1.07 110.903 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 539' ' ' ASN . . . . . 0.66 ' O ' ' HD3' ' A' ' 543' ' ' PRO . 7.2 m-20 -64.4 -28.48 69.71 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.904 -0.589 . . . . 1.74 111.744 -179.301 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 540' ' ' LEU . . . . . 0.499 ' HG ' ' O ' ' A' ' 536' ' ' ASP . 37.5 mt -74.43 -28.65 61.15 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.447 0.536 . . . . 1.08 112.447 -178.562 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -79.64 -34.65 30.9 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 119.867 -1.159 . . . . 0.26 111.71 177.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 542' ' ' LEU . . . . . . . . . . . . . 66.1 mt -57.43 -35.23 32.6 Favored Pre-proline 0 CA--C 1.549 0.924 0 N-CA-C 115.835 1.791 . . . . 1.11 115.835 -174.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 543' ' ' PRO . . . . . 0.66 ' HD3' ' O ' ' A' ' 539' ' ' ASN . 86.1 Cg_exo -56.27 -34.34 93.47 Favored 'Trans proline' 0 C--N 1.354 0.849 0 CA-C-N 121.645 1.623 . . . . 0.22 114.904 -175.646 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -111.84 -18.2 12.76 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 113.307 0.854 . . . . 0.42 113.307 178.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 545' ' ' GLY . . . . . 0.469 ' HA3' ' CE ' ' A' ' 572' ' ' MET . . . -134.24 -162.54 9.97 Favored Glycine 0 C--O 1.224 -0.489 0 C-N-CA 120.776 -0.726 . . . . 1.14 113.354 178.223 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 546' ' ' LYS . . . . . 0.676 ' O ' ' HA ' ' A' ' 563' ' ' MET . 56.9 tptt -128.75 127.63 42.42 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 122.706 -0.29 . . . . 2.18 110.596 -179.755 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 547' ' ' VAL . . . . . 0.525 ' HA ' ' O ' ' A' ' 562' ' ' GLU . 99.5 t -91.16 130.53 40.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 123.363 0.414 . . . . 1.06 110.838 179.791 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 548' ' ' THR . . . . . 0.443 ' CG2' ' HB3' ' A' ' 564' ' ' ALA . 34.0 p -107.64 -39.16 5.68 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.911 -0.586 . . . . 1.05 111.57 176.608 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 73.0 m-20 -147.78 165.45 30.51 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.452 -0.795 . . . . 1.46 109.451 -175.319 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 17.4 p90 -153.39 148.35 26.6 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.074 0.464 . . . . 0.99 111.212 177.323 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 15.6 mt -130.2 123.48 56.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 108.887 -0.783 . . . . 1.19 108.887 175.239 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 552' ' ' LEU . . . . . . . . . . . . . 77.2 mt -111.29 113.73 26.42 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 116.022 -0.535 . . . . 1.21 111.37 -174.171 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 54.7 mtt -108.4 84.86 2.01 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.423 -0.584 . . . . 1.46 109.423 175.369 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -68.5 -30.5 69.34 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.884 -0.598 . . . . 1.98 111.201 -177.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 71.7 p -60.7 -30.3 69.87 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.207 -0.451 . . . . 1.26 111.4 -179.56 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 556' ' ' THR . . . . . 0.512 ' O ' ' HG2' ' A' ' 558' ' ' GLN . 67.7 p -108.25 8.97 28.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.466 -0.334 . . . . 1.41 111.639 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 56.84 42.08 27.05 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 115.949 -0.569 . . . . 2.35 111.457 -179.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 558' ' ' GLN . . . . . 0.512 ' HG2' ' O ' ' A' ' 556' ' ' THR . 13.8 mm100 -136.25 148.78 48.2 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.77 0.319 . . . . 2.3 110.635 -174.599 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -134.83 144.81 47.8 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.311 -0.404 . . . . 1.06 110.839 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 560' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -123.35 126.79 47.49 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.07 -0.514 . . . . 0.45 109.664 179.289 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 15.5 tp -124.08 130.48 52.62 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.034 -0.53 . . . . 1.06 109.8 -174.16 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 562' ' ' GLU . . . . . 0.525 ' O ' ' HA ' ' A' ' 547' ' ' VAL . 39.3 tt0 -101.13 139.58 36.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.782 0.325 . . . . 1.85 111.57 -175.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 563' ' ' MET . . . . . 0.744 ' HE3' ' SD ' ' A' ' 572' ' ' MET . 0.6 OUTLIER -114.19 135.21 54.3 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.893 -0.594 . . . . 1.16 111.147 179.144 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 564' ' ' ALA . . . . . 0.443 ' HB3' ' CG2' ' A' ' 548' ' ' THR . . . -60.86 -29.48 69.55 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-N 115.053 -0.976 . . . . 1.13 111.175 -178.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -126.2 133.21 51.6 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 114.967 -1.015 . . . . 1.44 108.544 -177.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 5.1 t -63.67 -31.29 72.41 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.871 0.367 . . . . 1.18 110.576 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -66.66 -33.05 74.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 1.91 110.478 176.33 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 568' ' ' ALA . . . . . 0.456 ' HB2' ' CA ' ' A' ' 545' ' ' GLY . . . -65.4 -43.67 89.88 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.048 -0.524 . . . . 1.07 110.193 178.546 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 569' ' ' ALA . . . . . 0.41 ' HB1' ' HB2' ' A' ' 563' ' ' MET . . . -67.69 -46.24 72.86 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.733 -0.667 . . . . 1.06 111.233 -179.804 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 570' ' ' GLN . . . . . 0.446 ' O ' ' HG2' ' A' ' 574' ' ' GLN . 48.8 mt-30 -66.62 -45.47 78.99 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.112 -0.495 . . . . 1.35 111.147 -177.762 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -66.55 -37.82 85.79 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.559 -0.291 . . . . 1.09 111.701 -176.247 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 572' ' ' MET . . . . . 0.744 ' SD ' ' HE3' ' A' ' 563' ' ' MET . 15.8 ptp -68.08 -43.68 78.0 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.572 -0.451 . . . . 1.11 109.994 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 573' ' ' VAL . . . . . 0.445 ' N ' ' HG3' ' A' ' 572' ' ' MET . 78.1 t -66.5 -35.27 74.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.959 -0.564 . . . . 1.05 111.387 -178.506 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 574' ' ' GLN . . . . . 0.446 ' HG2' ' O ' ' A' ' 570' ' ' GLN . 29.2 mm-40 -58.02 -38.19 75.73 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.451 -0.574 . . . . 2.38 109.451 175.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 575' ' ' TYR . . . . . 0.452 ' HD2' ' CD2' ' A' ' 576' ' ' TYR . 78.5 t80 -69.77 -49.79 49.57 Favored 'General case' 0 C--O 1.218 -0.553 0 CA-C-N 115.88 -0.6 . . . . 0.99 111.117 173.262 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 576' ' ' TYR . . . . . 0.477 ' CB ' ' HB ' ' A' ' 590' ' ' ILE . 20.1 m-85 -75.91 -17.57 59.72 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 113.41 0.893 . . . . 0.38 113.41 -170.34 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -76.18 -33.26 59.31 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 119.996 -0.682 . . . . 1.86 110.71 173.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -95.59 -37.55 10.8 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.155 -0.475 . . . . 2.07 111.077 -178.054 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -130.06 76.26 78.27 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.0 -0.545 . . . . 2.57 109.8 177.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_exo -70.2 159.37 53.33 Favored 'Trans proline' 0 C--O 1.234 0.324 0 C-N-CA 123.356 2.704 . . . . 0.21 113.051 -174.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -93.32 153.12 18.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.662 -0.699 . . . . 1.02 110.813 -174.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 582' ' ' ILE . . . . . 0.415 HG12 ' HG2' ' A' ' 587' ' ' LYS . 49.3 mt -115.61 132.9 63.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 120.973 0.416 . . . . 1.16 111.974 -172.412 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 583' ' ' ILE . . . . . 0.472 HD12 HD11 ' A' ' 588' ' ' LEU . 22.6 mt -122.04 116.57 49.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.963 -0.562 . . . . 1.42 110.546 172.246 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 47.0 m-80 50.69 45.35 27.1 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 116.07 -0.514 . . . . 1.7 112.19 -179.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 83.52 1.14 90.2 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.773 -0.727 . . . . 0.69 113.344 175.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 586' ' ' GLU . . . . . 0.406 ' O ' ' HA ' ' A' ' 582' ' ' ILE . 23.9 mm-40 -102.81 126.47 49.96 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.905 0.353 . . . . 1.93 110.193 178.13 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 587' ' ' LYS . . . . . 0.415 ' HG2' HG12 ' A' ' 582' ' ' ILE . 98.9 mttt -84.95 107.57 17.15 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.865 -0.42 . . . . 2.64 109.865 177.521 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 588' ' ' LEU . . . . . 0.472 HD11 HD12 ' A' ' 583' ' ' ILE . 35.6 mt -83.22 128.59 34.62 Favored 'General case' 0 CA--C 1.501 -0.916 0 CA-C-N 116.326 -0.397 . . . . 1.09 110.332 -177.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 32.8 tp -84.06 106.85 16.04 Favored 'General case' 0 N--CA 1.433 -1.296 0 N-CA-C 108.133 -1.062 . . . . 1.1 108.133 171.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 590' ' ' ILE . . . . . 0.477 ' HB ' ' CB ' ' A' ' 576' ' ' TYR . 63.8 mt -96.26 115.31 35.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 N-CA-C 107.867 -1.161 . . . . 1.04 107.867 177.325 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 591' ' ' ARG . . . . . 0.435 ' HA ' HG12 ' A' ' 573' ' ' VAL . 19.9 ptt180 -147.32 165.31 30.52 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 112.392 0.515 . . . . 3.66 112.392 -171.007 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 592' ' ' MET . . . . . 0.445 ' HG2' HG11 ' A' ' 573' ' ' VAL . 0.1 OUTLIER -63.15 143.3 57.91 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.499 -0.773 . . . . 1.06 110.637 -173.508 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 38.3 t -86.89 134.95 33.48 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.828 0.347 . . . . 1.57 110.381 176.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 10.8 m -99.03 -17.2 18.39 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.41 0.624 . . . . 2.17 109.807 174.216 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -85.24 -40.83 16.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.718 -0.674 . . . . 3.39 111.283 -176.473 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 43.0 m-85 -114.07 134.01 55.15 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.245 0.545 . . . . 1.27 111.385 -178.047 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -90.5 -35.61 14.99 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.109 -0.951 . . . . 3.84 109.434 173.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -153.61 148.92 27.04 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.204 -0.907 . . . . 2.02 109.365 -179.068 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 599' ' ' LEU . . . . . 0.413 HD13 ' HB2' ' A' ' 562' ' ' GLU . 91.5 mt . . . . . 0 C--N 1.32 -0.697 0 N-CA-C 109.568 -0.53 . . . . 1.09 109.568 175.287 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 76.5 t . . . . . 0 N--CA 1.448 -0.543 0 CA-C-O 120.95 0.405 . . . . 1.08 110.093 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 522' ' ' VAL . . . . . 0.408 HG12 ' CG2' ' A' ' 590' ' ' ILE . 83.3 t -100.93 133.1 45.26 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 CA-C-N 115.991 -0.55 . . . . 1.07 110.294 176.808 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 19.3 t-160 -106.84 117.94 35.37 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.394 -0.965 . . . . 2.21 108.394 178.182 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 524' ' ' ILE . . . . . 0.434 HD13 HG12 ' A' ' 537' ' ' VAL . 82.0 mt -101.43 129.57 52.33 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.913 0 CA-C-O 121.032 0.444 . . . . 1.06 110.474 -173.645 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 525' ' ' CYS . . . . . 0.592 ' HA ' ' OE1' ' A' ' 558' ' ' GLN . 8.5 m -114.01 171.5 7.56 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 114.959 -1.019 . . . . 2.22 110.587 -174.503 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 67.31 26.22 8.58 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.835 -0.62 . . . . 1.74 110.771 178.122 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 82.2 mt -81.78 132.43 54.54 Favored Pre-proline 0 C--N 1.321 -0.639 0 CA-C-N 115.758 -0.655 . . . . 1.09 110.486 179.196 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 528' ' ' PRO . . . . . 0.53 ' HD2' ' SG ' ' A' ' 532' ' ' CYS . 37.4 Cg_endo -69.53 132.36 23.53 Favored 'Trans proline' 0 C--O 1.238 0.502 0 C-N-CA 122.279 1.986 . . . . 0.88 111.361 171.24 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -67.29 125.15 25.18 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.145 -0.48 . . . . 2.98 111.617 -177.322 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 77.36 -18.22 4.57 Favored Glycine 0 CA--C 1.519 0.339 0 CA-C-N 116.02 -0.536 . . . . 0.97 114.046 172.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 8.5 t -82.84 -33.98 26.95 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 117.274 0.537 . . . . 1.63 110.265 -177.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 532' ' ' CYS . . . . . 0.53 ' SG ' ' HD2' ' A' ' 528' ' ' PRO . 56.1 m -68.96 143.48 54.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.938 -0.574 . . . . 1.73 110.383 178.568 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 44.7 p -105.91 169.19 8.63 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.501 -0.555 . . . . 1.27 109.501 174.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -62.44 -37.71 86.92 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.485 0.66 . . . . 1.32 109.393 175.461 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -68.45 -44.17 75.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 114.951 -1.022 . . . . 2.62 111.732 -174.149 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 536' ' ' ASP . . . . . 0.458 ' O ' ' HG ' ' A' ' 540' ' ' LEU . 40.7 m-20 -60.59 -47.57 85.62 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 120.852 0.358 . . . . 0.52 111.65 -175.436 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 537' ' ' VAL . . . . . 0.434 HG12 HD13 ' A' ' 524' ' ' ILE . 76.9 t -62.5 -42.27 95.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.85 -0.614 . . . . 1.07 110.65 -176.76 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 538' ' ' ILE . . . . . 0.472 ' O ' ' HG ' ' A' ' 542' ' ' LEU . 85.2 mt -67.24 -44.95 87.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 116.097 -0.502 . . . . 1.07 110.4 177.573 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 539' ' ' ASN . . . . . 0.423 ' O ' ' HD3' ' A' ' 543' ' ' PRO . 84.7 m-20 -60.48 -28.89 68.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.796 -0.638 . . . . 1.74 111.523 -179.232 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 540' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 536' ' ' ASP . 43.3 mt -75.12 -34.31 61.67 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.013 0.375 . . . . 1.08 112.013 178.589 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -75.33 -42.81 27.06 Favored Glycine 0 N--CA 1.453 -0.195 0 C-N-CA 120.218 -0.991 . . . . 0.26 112.221 -178.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 542' ' ' LEU . . . . . 0.526 ' HA ' ' O ' ' A' ' 545' ' ' GLY . 82.1 mt -48.11 -44.31 60.42 Favored Pre-proline 0 CA--C 1.546 0.814 0 N-CA-C 114.963 1.468 . . . . 1.11 114.963 -174.372 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 543' ' ' PRO . . . . . 0.444 ' HD2' ' O ' ' A' ' 540' ' ' LEU . 44.9 Cg_exo -48.02 -34.74 23.81 Favored 'Trans proline' 0 C--N 1.36 1.176 0 C-N-CA 122.451 2.1 . . . . 0.22 115.75 -173.089 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 544' ' ' PHE . . . . . 0.517 ' HB2' ' CB ' ' A' ' 572' ' ' MET . 93.9 m-85 -112.67 -18.9 12.24 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 119.825 -0.75 . . . . 0.42 112.954 176.419 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 545' ' ' GLY . . . . . 0.543 ' CA ' ' HB1' ' A' ' 568' ' ' ALA . . . -147.64 140.37 8.43 Favored Glycine 0 C--O 1.226 -0.396 0 C-N-CA 120.672 -0.775 . . . . 1.14 112.982 176.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 546' ' ' LYS . . . . . 0.464 ' O ' ' HA ' ' A' ' 563' ' ' MET . 23.9 tptm -76.64 134.7 39.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.943 0.402 . . . . 2.18 111.507 -178.666 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 547' ' ' VAL . . . . . 0.514 ' HA ' ' O ' ' A' ' 562' ' ' GLU . 96.5 t -94.55 136.49 25.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.406 -0.816 . . . . 1.06 110.579 -179.751 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 37.4 p -100.02 -40.81 7.45 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.138 -0.483 . . . . 1.05 111.496 177.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -163.15 168.86 20.2 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.022 -0.733 . . . . 1.46 109.022 -178.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 550' ' ' TYR . . . . . 0.439 ' CD2' HD12 ' A' ' 538' ' ' ILE . 51.0 p90 -141.4 152.08 44.02 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.979 0.418 . . . . 0.99 111.578 -174.744 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 46.4 mt -122.34 121.57 64.14 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.578 0 N-CA-C 108.119 -1.067 . . . . 1.19 108.119 167.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 552' ' ' LEU . . . . . . . . . . . . . 50.7 mt -111.62 111.29 22.18 Favored 'General case' 0 C--N 1.311 -1.098 0 CA-C-N 116.282 -0.417 . . . . 1.21 110.517 -177.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 60.9 mtt -107.13 85.06 2.07 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 109.199 -0.667 . . . . 1.46 109.199 176.352 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.52 -28.73 69.39 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 108.768 -0.827 . . . . 1.98 108.768 179.167 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 62.1 p -58.21 -23.94 57.41 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 114.609 -1.178 . . . . 1.26 112.223 176.136 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 77.4 p -107.7 3.85 25.1 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-O 121.24 0.543 . . . . 1.41 109.952 179.109 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 52.2 t30 54.56 41.24 32.07 Favored 'General case' 0 N--CA 1.456 -0.156 0 CA-C-N 114.705 -1.134 . . . . 2.35 110.556 -176.191 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 558' ' ' GLN . . . . . 0.592 ' OE1' ' HA ' ' A' ' 525' ' ' CYS . 13.7 mm100 -147.09 164.88 31.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.753 -0.658 . . . . 2.3 109.782 -175.383 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -132.87 149.88 52.21 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.811 0.339 . . . . 1.06 111.78 -178.475 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 560' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 -124.42 128.69 49.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.775 -0.648 . . . . 0.45 109.289 176.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 15.2 tp -131.75 131.46 43.0 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 110.19 -0.3 . . . . 1.06 110.19 -173.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 562' ' ' GLU . . . . . 0.514 ' O ' ' HA ' ' A' ' 547' ' ' VAL . 33.3 tt0 -100.78 138.89 37.24 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-O 120.99 0.424 . . . . 1.85 111.095 -178.792 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 563' ' ' MET . . . . . 0.764 ' HE1' ' SD ' ' A' ' 572' ' ' MET . 0.9 OUTLIER -112.43 139.91 47.61 Favored 'General case' 0 N--CA 1.444 -0.741 0 CA-C-N 115.722 -0.672 . . . . 1.16 110.368 177.469 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -60.82 -19.15 59.19 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.129 -0.941 . . . . 1.13 111.244 -178.137 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 29.4 m-85 -133.79 137.19 44.99 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 115.363 -0.835 . . . . 1.44 109.048 -178.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 566' ' ' THR . . . . . 0.526 ' O ' ' HG3' ' A' ' 570' ' ' GLN . 8.9 t -65.65 -34.43 78.21 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.357 -0.608 . . . . 1.18 109.357 176.322 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 567' ' ' GLU . . . . . 0.472 ' CD ' ' H ' ' A' ' 567' ' ' GLU . 1.2 mp0 -62.05 -39.23 91.68 Favored 'General case' 0 CA--C 1.515 -0.382 0 CA-C-N 115.964 -0.562 . . . . 1.91 110.482 174.723 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 568' ' ' ALA . . . . . 0.543 ' HB1' ' CA ' ' A' ' 545' ' ' GLY . . . -62.48 -43.76 98.03 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.474 -0.784 . . . . 1.07 110.772 179.407 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -67.59 -45.94 74.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.017 -0.538 . . . . 1.06 111.235 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 570' ' ' GLN . . . . . 0.526 ' HG3' ' O ' ' A' ' 566' ' ' THR . 75.7 mt-30 -64.61 -45.18 88.03 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.198 -0.456 . . . . 1.35 110.713 -179.213 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -62.01 -41.46 98.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.906 -0.588 . . . . 1.09 111.592 -175.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 572' ' ' MET . . . . . 0.764 ' SD ' ' HE1' ' A' ' 563' ' ' MET . 15.9 ptp -69.11 -44.47 72.36 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.778 -0.369 . . . . 1.11 110.479 -178.377 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 573' ' ' VAL . . . . . 0.441 ' N ' ' HG3' ' A' ' 572' ' ' MET . 69.7 t -66.95 -37.83 80.17 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.531 0 CA-C-N 116.196 -0.456 . . . . 1.05 111.397 -175.345 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 574' ' ' GLN . . . . . 0.457 ' HA ' ' OE1' ' A' ' 574' ' ' GLN . 14.4 mm-40 -59.65 -36.57 76.68 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.975 -0.38 . . . . 2.38 109.975 177.145 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 575' ' ' TYR . . . . . 0.428 ' HD2' ' CD2' ' A' ' 576' ' ' TYR . 89.4 t80 -68.62 -49.65 57.56 Favored 'General case' 0 C--O 1.218 -0.565 0 CA-C-N 115.987 -0.551 . . . . 0.99 110.806 172.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 576' ' ' TYR . . . . . 0.465 ' CB ' ' HB ' ' A' ' 590' ' ' ILE . 23.5 m-85 -73.61 -16.74 61.23 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 112.935 0.717 . . . . 0.38 112.935 -172.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -78.39 -28.04 46.87 Favored 'General case' 0 C--N 1.317 -0.842 0 O-C-N 121.806 -0.559 . . . . 1.86 110.596 175.219 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -97.73 -39.12 9.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.018 0.437 . . . . 2.07 111.156 177.269 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 30.6 mtpp -130.29 80.63 70.22 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-N 115.927 -0.579 . . . . 2.57 109.635 176.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -69.32 159.86 52.1 Favored 'Trans proline' 0 CA--C 1.529 0.252 0 C-N-CA 123.65 2.9 . . . . 0.21 113.329 -172.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -92.69 153.62 18.84 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.802 -0.636 . . . . 1.02 110.456 -175.242 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 582' ' ' ILE . . . . . 0.466 HG12 ' HG3' ' A' ' 587' ' ' LYS . 17.5 mt -117.32 133.08 65.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 112.691 0.626 . . . . 1.16 112.691 -167.213 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 583' ' ' ILE . . . . . 0.426 HG13 HD11 ' A' ' 540' ' ' LEU . 35.2 mt -128.41 128.7 68.54 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.115 0 CA-C-N 115.846 -0.616 . . . . 1.42 109.67 169.748 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 11.1 m120 59.77 33.72 21.8 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 122.766 0.427 . . . . 1.7 111.044 178.12 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 76.5 5.66 82.92 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.779 -0.724 . . . . 0.69 112.118 -179.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -105.79 127.83 53.34 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.778 0.323 . . . . 1.93 110.176 -178.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 587' ' ' LYS . . . . . 0.466 ' HG3' HG12 ' A' ' 582' ' ' ILE . 0.1 OUTLIER -84.2 111.09 19.05 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.978 0.418 . . . . 2.64 110.121 -177.821 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 588' ' ' LEU . . . . . 0.407 HD12 ' CD1' ' A' ' 540' ' ' LEU . 32.8 mt -81.83 134.1 35.39 Favored 'General case' 0 CA--C 1.508 -0.644 0 CA-C-N 115.845 -0.616 . . . . 1.09 110.294 -176.575 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 54.7 tp -84.7 107.36 16.85 Favored 'General case' 0 C--N 1.312 -1.036 0 N-CA-C 108.558 -0.905 . . . . 1.1 108.558 171.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 590' ' ' ILE . . . . . 0.465 ' HB ' ' CB ' ' A' ' 576' ' ' TYR . 59.7 mt -96.9 115.11 35.57 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 N-CA-C 108.15 -1.055 . . . . 1.04 108.15 177.609 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 591' ' ' ARG . . . . . 0.431 ' HA ' ' CG1' ' A' ' 573' ' ' VAL . 3.8 ptp180 -135.09 161.4 35.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.202 0.525 . . . . 3.66 112.021 -172.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 592' ' ' MET . . . . . 0.431 ' HG2' HG12 ' A' ' 573' ' ' VAL . 0.1 OUTLIER -66.47 133.79 51.13 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.417 -0.811 . . . . 1.06 109.916 179.035 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 32.7 t -83.78 132.29 34.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.817 0.341 . . . . 1.57 111.091 -177.044 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 11.1 t -98.96 -7.79 26.46 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.158 -0.473 . . . . 2.17 110.046 173.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 88.1 mtt180 -82.46 -39.25 22.81 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.208 -0.451 . . . . 3.39 110.438 -179.467 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -131.55 134.46 46.11 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.199 -0.455 . . . . 1.27 110.545 -179.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 5.3 tppp? -86.81 -36.77 18.34 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.741 -0.837 . . . . 3.84 108.741 171.397 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -140.17 153.41 46.62 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 114.809 -1.087 . . . . 2.02 109.261 178.543 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 599' ' ' LEU . . . . . . . . . . . . . 90.3 mt . . . . . 0 C--N 1.324 -0.511 0 CA-C-O 121.547 0.689 . . . . 1.09 109.969 178.826 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 71.0 t . . . . . 0 N--CA 1.446 -0.645 0 CA-C-O 121.098 0.475 . . . . 1.08 109.799 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 522' ' ' VAL . . . . . . . . . . . . . 57.4 t -102.04 134.7 41.88 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.026 0 CA-C-N 115.933 -0.576 . . . . 1.07 109.716 177.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 10.7 t-160 -105.42 118.88 37.7 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.658 -0.497 . . . . 2.21 109.658 -176.109 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 524' ' ' ILE . . . . . . . . . . . . . 68.3 mt -102.62 127.72 56.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 115.864 -0.607 . . . . 1.06 109.792 -178.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 8.3 m -114.77 169.85 8.76 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.634 -0.712 . . . . 2.22 111.354 -171.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 66.84 33.37 6.09 Favored 'General case' 0 N--CA 1.464 0.249 0 O-C-N 123.878 0.737 . . . . 1.74 111.456 174.239 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 79.9 mt -86.29 121.28 72.57 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 116.191 -0.458 . . . . 1.09 111.572 -176.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 528' ' ' PRO . . . . . 0.47 ' HD2' ' SG ' ' A' ' 532' ' ' CYS . 37.3 Cg_endo -69.27 132.1 23.37 Favored 'Trans proline' 0 C--O 1.237 0.464 0 C-N-CA 122.601 2.201 . . . . 0.88 111.877 174.43 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -67.49 125.59 26.64 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.097 -0.501 . . . . 2.98 111.5 -178.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 80.59 -17.77 10.08 Favored Glycine 0 N--CA 1.451 -0.308 0 CA-C-N 115.997 -0.547 . . . . 0.97 113.482 175.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 11.4 m -84.86 -36.84 21.3 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 117.091 0.446 . . . . 1.63 110.67 -177.587 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 532' ' ' CYS . . . . . 0.47 ' SG ' ' HD2' ' A' ' 528' ' ' PRO . 76.2 m -87.11 139.18 30.83 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.41 -0.359 . . . . 1.73 110.147 176.04 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 65.1 p -106.0 166.86 10.19 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.806 -0.442 . . . . 1.27 109.806 175.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 534' ' ' GLU . . . . . 0.504 ' HG2' ' CD1' ' A' ' 552' ' ' LEU . 42.9 mt-10 -54.81 -45.45 74.38 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.411 0.624 . . . . 1.32 109.954 179.551 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 13.8 t30 -59.61 -38.46 81.34 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 114.791 -1.095 . . . . 2.62 111.712 -177.508 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 536' ' ' ASP . . . . . 0.522 ' O ' ' HG ' ' A' ' 540' ' ' LEU . 56.4 m-20 -64.39 -48.6 74.81 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 120.982 0.42 . . . . 0.52 110.723 -179.356 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 59.2 t -63.53 -44.02 98.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.414 -0.812 . . . . 1.07 110.9 -174.321 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 87.7 mt -65.28 -45.83 92.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.793 -0.64 . . . . 1.07 110.97 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 539' ' ' ASN . . . . . 0.669 ' O ' ' HD3' ' A' ' 543' ' ' PRO . 89.5 m-20 -66.22 -27.67 68.15 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.978 -0.556 . . . . 1.74 112.201 -175.487 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 540' ' ' LEU . . . . . 0.522 ' HG ' ' O ' ' A' ' 536' ' ' ASP . 29.6 mt -65.21 -36.26 83.61 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.341 0.497 . . . . 1.08 112.341 -179.291 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -79.56 -32.42 37.79 Favored Glycine 0 CA--C 1.516 0.128 0 C-N-CA 120.273 -0.965 . . . . 0.26 112.261 -179.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 542' ' ' LEU . . . . . . . . . . . . . 75.5 mt -52.81 -37.99 53.58 Favored Pre-proline 0 CA--C 1.554 1.097 0 N-CA-C 115.704 1.742 . . . . 1.11 115.704 -175.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 543' ' ' PRO . . . . . 0.669 ' HD3' ' O ' ' A' ' 539' ' ' ASN . 71.3 Cg_exo -50.66 -33.51 39.98 Favored 'Trans proline' 0 C--N 1.354 0.862 0 C-N-CA 121.592 1.528 . . . . 0.22 115.351 -175.564 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 544' ' ' PHE . . . . . 0.553 ' HB2' ' CB ' ' A' ' 572' ' ' MET . 82.5 m-85 -111.56 -19.97 12.34 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 113.055 0.761 . . . . 0.42 113.055 176.679 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 545' ' ' GLY . . . . . 0.584 ' CA ' ' HB1' ' A' ' 568' ' ' ALA . . . -135.31 -161.77 9.46 Favored Glycine 0 C--O 1.223 -0.542 0 C-N-CA 120.421 -0.895 . . . . 1.14 114.005 179.785 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 546' ' ' LYS . . . . . 0.552 ' O ' ' HA ' ' A' ' 563' ' ' MET . 16.7 tppt? -132.55 135.54 46.01 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 122.474 -0.427 . . . . 2.18 110.967 -178.669 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 547' ' ' VAL . . . . . 0.572 ' HA ' ' O ' ' A' ' 562' ' ' GLU . 95.2 t -100.14 133.63 42.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.907 -0.588 . . . . 1.06 110.923 -178.655 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 548' ' ' THR . . . . . 0.413 ' HG1' ' HG3' ' A' ' 562' ' ' GLU . 72.5 p -108.28 -32.3 7.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.104 0.478 . . . . 1.05 110.784 176.178 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 33.1 m-80 -149.06 166.62 28.19 Favored 'General case' 0 CA--C 1.515 -0.372 0 CA-C-N 115.702 -0.681 . . . . 1.46 109.525 -174.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 37.9 p90 -155.44 149.14 25.27 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.856 0.36 . . . . 0.99 110.472 175.587 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 551' ' ' ILE . . . . . 0.457 HD12 HD21 ' A' ' 599' ' ' LEU . 24.2 mt -131.28 123.78 53.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 108.955 -0.757 . . . . 1.19 108.955 175.677 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 552' ' ' LEU . . . . . 0.504 ' CD1' ' HG2' ' A' ' 534' ' ' GLU . 85.1 mt -111.35 114.1 27.02 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.143 -0.48 . . . . 1.21 111.734 -172.51 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 25.4 mmt -108.08 86.13 2.24 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.874 -0.787 . . . . 1.46 108.874 172.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.94 -34.97 77.61 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.132 -0.485 . . . . 1.98 110.675 -174.71 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 62.6 p -64.79 -28.1 69.34 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.936 -0.575 . . . . 1.26 112.049 -177.235 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 556' ' ' THR . . . . . 0.462 ' O ' ' HG2' ' A' ' 558' ' ' GLN . 75.6 p -98.84 4.13 47.49 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.06 0.457 . . . . 1.41 110.525 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 14.5 m120 56.91 40.44 28.85 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.092 -0.958 . . . . 2.35 110.885 -179.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 558' ' ' GLN . . . . . 0.462 ' HG2' ' O ' ' A' ' 556' ' ' THR . 15.0 mm100 -143.48 148.77 36.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 2.3 110.466 -175.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -133.99 152.67 51.94 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.904 0.383 . . . . 1.06 111.066 178.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 560' ' ' PHE . . . . . . . . . . . . . 55.6 m-85 -119.12 126.34 51.39 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.86 -0.793 . . . . 0.45 108.86 177.05 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 14.7 tp -121.79 129.06 52.38 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 109.761 -0.459 . . . . 1.06 109.761 -176.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 562' ' ' GLU . . . . . 0.572 ' O ' ' HA ' ' A' ' 547' ' ' VAL . 10.0 tp10 -99.64 138.51 36.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.498 -0.319 . . . . 1.85 111.044 -173.03 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 563' ' ' MET . . . . . 0.653 ' HE3' ' SD ' ' A' ' 572' ' ' MET . 21.2 mmt -116.06 135.19 54.18 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.656 0.741 . . . . 1.16 111.688 -172.665 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -65.95 -33.8 76.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 114.826 -1.079 . . . . 1.13 111.245 -178.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 565' ' ' TYR . . . . . 0.437 ' HB2' ' CB ' ' A' ' 568' ' ' ALA . 17.5 m-85 -124.4 134.67 53.04 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.721 -0.844 . . . . 1.44 108.721 -175.3 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 9.7 t -68.07 -35.4 78.14 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.346 -0.388 . . . . 1.18 110.808 -177.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -67.13 -35.48 79.83 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-O 121.022 0.439 . . . . 1.91 110.56 175.113 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 568' ' ' ALA . . . . . 0.584 ' HB1' ' CA ' ' A' ' 545' ' ' GLY . . . -62.61 -43.96 97.51 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.646 -0.707 . . . . 1.07 110.504 178.112 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -63.47 -45.73 89.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.708 -0.678 . . . . 1.06 111.195 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 570' ' ' GLN . . . . . 0.587 ' O ' ' HG2' ' A' ' 574' ' ' GLN . 45.9 mt-30 -67.57 -46.21 73.33 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.943 -0.571 . . . . 1.35 111.379 -178.846 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -61.89 -42.13 98.7 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.201 -0.454 . . . . 1.09 111.535 -175.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 572' ' ' MET . . . . . 0.653 ' SD ' ' HE3' ' A' ' 563' ' ' MET . 17.2 ptp -66.29 -44.97 82.03 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.036 0.446 . . . . 1.11 110.222 -179.342 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 573' ' ' VAL . . . . . 0.545 ' CG1' ' HA ' ' A' ' 591' ' ' ARG . 57.7 t -67.29 -36.86 77.86 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.691 0 CA-C-N 115.711 -0.677 . . . . 1.05 111.958 -175.412 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 574' ' ' GLN . . . . . 0.587 ' HG2' ' O ' ' A' ' 570' ' ' GLN . 29.4 mm-40 -59.05 -37.35 76.8 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.538 -0.541 . . . . 2.38 109.538 178.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 89.1 t80 -69.14 -49.68 54.73 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-N 115.769 -0.65 . . . . 0.99 111.149 172.248 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 576' ' ' TYR . . . . . 0.458 ' CB ' ' HB ' ' A' ' 590' ' ' ILE . 22.9 m-85 -72.24 -23.08 61.17 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 113.502 0.927 . . . . 0.38 113.502 -171.375 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -70.04 -30.9 68.29 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 120.132 -0.627 . . . . 1.86 110.562 175.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 50.9 mm-40 -97.52 -38.96 9.37 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.14 0.495 . . . . 2.07 111.312 179.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -126.32 81.94 66.62 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 115.741 -0.663 . . . . 2.57 109.958 175.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_exo -72.32 159.92 48.28 Favored 'Trans proline' 0 C--O 1.234 0.293 0 C-N-CA 123.522 2.815 . . . . 0.21 112.429 -176.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -93.23 144.67 25.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.28 -0.418 . . . . 1.02 110.752 -174.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 65.8 mt -108.89 131.31 59.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 116.333 -0.394 . . . . 1.16 111.794 -173.384 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 583' ' ' ILE . . . . . . . . . . . . . 37.9 mt -122.51 116.66 49.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.124 -0.489 . . . . 1.42 110.499 172.269 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 55.33 43.99 28.07 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.848 -0.614 . . . . 1.7 111.724 175.214 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 86.1 -4.54 85.85 Favored Glycine 0 N--CA 1.45 -0.376 0 CA-C-N 115.917 -0.583 . . . . 0.69 113.47 176.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -102.68 126.26 49.71 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 117.147 0.473 . . . . 1.93 110.256 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -84.69 107.37 16.85 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.52 -0.548 . . . . 2.64 109.52 178.091 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 588' ' ' LEU . . . . . 0.435 HD12 ' CD1' ' A' ' 540' ' ' LEU . 39.9 mt -84.8 124.36 31.48 Favored 'General case' 0 CA--C 1.506 -0.74 0 CA-C-N 116.467 -0.333 . . . . 1.09 110.38 -178.12 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 33.1 tp -83.28 108.56 16.58 Favored 'General case' 0 C--N 1.313 -0.998 0 N-CA-C 108.584 -0.895 . . . . 1.1 108.584 173.269 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 590' ' ' ILE . . . . . 0.458 ' HB ' ' CB ' ' A' ' 576' ' ' TYR . 41.7 mt -96.48 115.47 35.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 108.273 -1.01 . . . . 1.04 108.273 177.655 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 591' ' ' ARG . . . . . 0.545 ' HA ' ' CG1' ' A' ' 573' ' ' VAL . 33.3 ptt180 -145.34 164.76 30.48 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 113.285 0.846 . . . . 3.66 113.285 -174.357 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 592' ' ' MET . . . . . 0.48 ' HG2' HG11 ' A' ' 573' ' ' VAL . 0.6 OUTLIER -68.19 129.35 39.67 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.009 -0.996 . . . . 1.06 111.303 -175.301 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 33.0 t -86.92 129.7 34.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.006 0.432 . . . . 1.57 110.539 176.25 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 8.1 m -98.52 -6.86 29.38 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.696 0.76 . . . . 2.17 109.769 175.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 79.4 mtp180 -88.28 -41.33 12.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.641 -0.709 . . . . 3.39 111.118 -177.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -106.69 134.06 50.41 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.844 0.354 . . . . 1.27 110.587 -179.508 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -90.97 -41.83 10.9 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.812 -0.631 . . . . 3.84 110.373 176.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 598' ' ' GLU . . . . . 0.465 ' HA ' ' OE2' ' A' ' 562' ' ' GLU . 11.1 pt-20 -154.05 146.55 24.05 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.476 -0.784 . . . . 2.02 109.843 -178.575 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 599' ' ' LEU . . . . . 0.457 HD21 HD12 ' A' ' 551' ' ' ILE . 76.1 mt . . . . . 0 C--N 1.323 -0.583 0 CA-C-O 121.238 0.542 . . . . 1.09 111.462 179.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 58.7 t . . . . . 0 N--CA 1.463 0.22 0 CA-C-O 120.466 0.174 . . . . 1.08 111.007 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 522' ' ' VAL . . . . . 0.453 HG22 ' HE3' ' A' ' 592' ' ' MET . 40.3 t -100.45 134.31 40.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 N-CA-C 109.889 -0.412 . . . . 1.07 109.889 178.144 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 523' ' ' HIS . . . . . 0.431 ' HB3' ' OG ' ' A' ' 593' ' ' SER . 14.4 p-80 -115.05 140.16 49.28 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.183 0.516 . . . . 2.21 110.116 177.283 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 524' ' ' ILE . . . . . 0.428 HD13 HG12 ' A' ' 537' ' ' VAL . 67.1 mt -106.12 128.89 60.14 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.054 0 CA-C-N 115.595 -0.73 . . . . 1.06 110.099 179.248 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 525' ' ' CYS . . . . . 0.438 ' O ' ' HB2' ' A' ' 526' ' ' ASN . 12.6 p -124.29 174.98 7.36 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.825 -0.625 . . . . 2.22 110.144 -177.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 526' ' ' ASN . . . . . 0.482 HD21 ' N ' ' A' ' 526' ' ' ASN . 0.8 OUTLIER 69.33 26.19 5.38 Favored 'General case' 0 N--CA 1.469 0.506 0 O-C-N 123.699 0.624 . . . . 1.74 109.896 -175.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 527' ' ' LEU . . . . . 0.479 ' HB3' ' SG ' ' A' ' 532' ' ' CYS . 82.4 mt -79.14 130.31 69.86 Favored Pre-proline 0 C--N 1.324 -0.541 0 CA-C-N 115.319 -0.855 . . . . 1.09 110.788 -177.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 528' ' ' PRO . . . . . 0.405 ' HD2' ' SG ' ' A' ' 532' ' ' CYS . 37.5 Cg_endo -68.15 133.13 27.84 Favored 'Trans proline' 0 C--O 1.235 0.359 0 C-N-CA 122.391 2.06 . . . . 0.88 111.385 174.237 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -66.84 124.38 22.79 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.279 -0.419 . . . . 2.98 111.116 -175.225 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 80.56 -18.05 9.48 Favored Glycine 0 N--CA 1.452 -0.289 0 CA-C-N 116.091 -0.504 . . . . 0.97 113.514 175.106 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 14.6 m -88.2 -15.68 35.33 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.032 0.444 . . . . 1.63 111.142 -177.033 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 532' ' ' CYS . . . . . 0.479 ' SG ' ' HB3' ' A' ' 527' ' ' LEU . 56.8 m -85.21 135.34 33.99 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.278 -0.419 . . . . 1.73 110.732 -179.635 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 30.0 p -108.32 169.56 8.56 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.591 -0.522 . . . . 1.27 109.591 177.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -63.11 -46.89 85.19 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.35 0.595 . . . . 1.32 109.684 175.075 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -66.36 -44.2 83.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 114.984 -1.007 . . . . 2.62 111.852 -171.13 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 536' ' ' ASP . . . . . 0.538 ' O ' ' HG ' ' A' ' 540' ' ' LEU . 16.5 m-20 -63.95 -45.39 89.37 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 120.724 0.297 . . . . 0.52 111.357 -176.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 537' ' ' VAL . . . . . 0.428 HG12 HD13 ' A' ' 524' ' ' ILE . 98.0 t -61.96 -42.68 95.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.007 -0.542 . . . . 1.07 110.359 -177.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 82.9 mt -67.17 -42.31 87.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.494 . . . . 1.07 110.765 177.272 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 539' ' ' ASN . . . . . 0.437 ' O ' ' HD3' ' A' ' 543' ' ' PRO . 81.2 m-20 -61.47 -30.06 70.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.992 -0.549 . . . . 1.74 112.233 -177.26 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 540' ' ' LEU . . . . . 0.538 ' HG ' ' O ' ' A' ' 536' ' ' ASP . 46.1 mt -69.36 -37.05 77.43 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.068 0.395 . . . . 1.08 112.068 -176.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -75.47 -36.71 43.22 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.258 -0.972 . . . . 0.26 112.233 -178.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 542' ' ' LEU . . . . . 0.501 ' HA ' ' O ' ' A' ' 545' ' ' GLY . 91.3 mt -48.4 -46.76 69.18 Favored Pre-proline 0 CA--C 1.542 0.67 0 N-CA-C 114.522 1.305 . . . . 1.11 114.522 -172.563 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 543' ' ' PRO . . . . . 0.437 ' HD3' ' O ' ' A' ' 539' ' ' ASN . 41.6 Cg_exo -46.7 -34.01 14.69 Favored 'Trans proline' 0 C--N 1.358 1.071 0 C-N-CA 122.484 2.122 . . . . 0.22 115.833 -173.459 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 544' ' ' PHE . . . . . 0.515 ' HB2' ' CB ' ' A' ' 572' ' ' MET . 79.3 m-85 -111.55 -19.1 12.65 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.041 -0.663 . . . . 0.42 112.687 176.552 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 545' ' ' GLY . . . . . 0.501 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . -149.76 132.86 4.17 Favored Glycine 0 CA--C 1.522 0.505 0 C-N-CA 120.911 -0.662 . . . . 1.14 113.088 177.538 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 546' ' ' LYS . . . . . 0.489 ' O ' ' HA ' ' A' ' 563' ' ' MET . 23.7 tptm -71.04 144.23 50.47 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.677 0.275 . . . . 2.18 111.103 178.574 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 547' ' ' VAL . . . . . 0.536 ' HA ' ' O ' ' A' ' 562' ' ' GLU . 92.8 t -95.0 127.94 46.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.821 -0.627 . . . . 1.06 111.377 178.631 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 28.9 p -94.54 -39.58 10.31 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.387 -0.37 . . . . 1.05 111.782 176.049 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 549' ' ' ASN . . . . . 0.425 ' O ' ' HB3' ' A' ' 562' ' ' GLU . 55.5 m-80 -149.56 165.69 31.46 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.75 -0.833 . . . . 1.46 108.75 -179.797 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 12.2 p90 -148.78 149.79 31.97 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 120.626 -0.429 . . . . 0.99 110.588 -179.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 29.0 mt -131.29 121.26 48.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 N-CA-C 108.975 -0.75 . . . . 1.19 108.975 173.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 552' ' ' LEU . . . . . . . . . . . . . 50.1 mt -112.43 115.12 28.18 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 115.533 -0.758 . . . . 1.21 111.111 -177.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 62.4 mtt -107.48 83.69 1.85 Allowed 'General case' 0 N--CA 1.445 -0.684 0 N-CA-C 108.628 -0.879 . . . . 1.46 108.628 173.212 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -69.75 -29.46 66.83 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.046 -0.979 . . . . 1.98 110.464 -176.227 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 62.5 p -66.34 -22.94 66.28 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.58 -0.736 . . . . 1.26 111.613 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 68.9 p -105.28 3.82 30.37 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-O 121.282 0.563 . . . . 1.41 110.167 177.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 64.9 t30 56.39 41.55 28.8 Favored 'General case' 0 CA--C 1.521 -0.153 0 CA-C-N 114.674 -1.148 . . . . 2.35 110.893 -178.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -137.86 149.38 46.24 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.047 -0.524 . . . . 2.3 109.869 -177.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -130.2 142.92 50.53 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.38 -0.373 . . . . 1.06 111.259 -176.398 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 560' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -126.59 126.13 43.11 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.761 -0.654 . . . . 0.45 109.412 177.539 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 561' ' ' LEU . . . . . 0.405 HD22 ' HE3' ' A' ' 563' ' ' MET . 15.4 tp -126.54 129.09 47.93 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 116.011 -0.54 . . . . 1.06 110.082 -174.227 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 562' ' ' GLU . . . . . 0.536 ' O ' ' HA ' ' A' ' 547' ' ' VAL . 37.5 tt0 -103.15 137.92 40.66 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.342 -0.39 . . . . 1.85 111.302 -176.082 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 563' ' ' MET . . . . . 0.738 ' HE1' ' SD ' ' A' ' 572' ' ' MET . 13.3 mmt -107.8 159.55 16.42 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.838 -0.619 . . . . 1.16 110.442 -177.106 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -75.72 -22.53 56.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.699 -0.682 . . . . 1.13 112.251 -175.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -137.65 150.65 47.54 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.872 0.368 . . . . 1.44 110.795 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 9.0 t -61.69 -38.06 86.43 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.77 -0.65 . . . . 1.18 110.313 176.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -67.23 -35.34 79.35 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 116.174 -0.466 . . . . 1.91 110.778 175.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 568' ' ' ALA . . . . . 0.47 ' HB1' ' CA ' ' A' ' 545' ' ' GLY . . . -62.48 -42.56 99.57 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.094 0.473 . . . . 1.07 110.311 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 569' ' ' ALA . . . . . 0.414 ' O ' HG22 ' A' ' 573' ' ' VAL . . . -68.44 -46.99 68.38 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.694 -0.685 . . . . 1.06 111.514 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 570' ' ' GLN . . . . . 0.46 ' O ' ' HG3' ' A' ' 574' ' ' GLN . 48.2 mt-30 -68.86 -46.14 69.23 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.29 -0.413 . . . . 1.35 111.923 -177.649 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -62.11 -38.01 87.29 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.675 0.274 . . . . 1.09 111.392 -175.425 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 572' ' ' MET . . . . . 0.738 ' SD ' ' HE1' ' A' ' 563' ' ' MET . 14.0 ptp -69.11 -45.6 69.77 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 120.655 -0.418 . . . . 1.11 110.365 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 573' ' ' VAL . . . . . 0.487 HG13 ' HG2' ' A' ' 592' ' ' MET . 91.9 t -67.32 -36.88 77.89 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.566 0 CA-C-N 116.192 -0.458 . . . . 1.05 111.259 -176.358 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 574' ' ' GLN . . . . . 0.46 ' HG3' ' O ' ' A' ' 570' ' ' GLN . 52.0 mt-30 -58.96 -37.17 76.17 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.541 -0.54 . . . . 2.38 109.541 175.784 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 54.2 t80 -69.56 -49.66 52.13 Favored 'General case' 0 C--O 1.219 -0.534 0 CA-C-N 115.856 -0.611 . . . . 0.99 110.68 174.012 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 576' ' ' TYR . . . . . 0.438 ' CE1' ' HB2' ' A' ' 572' ' ' MET . 21.7 m-85 -74.84 -17.22 60.64 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.925 0.713 . . . . 0.38 112.925 -172.624 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -74.38 -30.69 62.07 Favored 'General case' 0 C--N 1.319 -0.722 0 O-C-N 122.091 -0.381 . . . . 1.86 110.557 174.122 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -97.54 -40.19 8.77 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.02 0.438 . . . . 2.07 110.97 178.212 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 49.9 mtpt -127.9 79.45 73.69 Favored Pre-proline 0 C--N 1.327 -0.4 0 CA-C-N 115.695 -0.684 . . . . 2.57 109.917 179.037 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_exo -71.67 160.41 48.23 Favored 'Trans proline' 0 C--O 1.235 0.373 0 C-N-CA 123.372 2.714 . . . . 0.21 112.803 -174.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -92.47 150.61 20.67 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.135 -0.484 . . . . 1.02 110.354 -175.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 582' ' ' ILE . . . . . 0.428 ' HA ' ' O ' ' A' ' 586' ' ' GLU . 65.3 mt -117.2 127.87 74.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 N-CA-C 112.112 0.412 . . . . 1.16 112.112 -171.196 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 583' ' ' ILE . . . . . . . . . . . . . 52.4 mt -122.18 120.6 61.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.001 -0.545 . . . . 1.42 110.447 172.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 59.27 40.38 21.43 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.862 -0.608 . . . . 1.7 111.307 177.327 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 80.43 0.92 88.03 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.982 -0.628 . . . . 0.69 112.818 178.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 586' ' ' GLU . . . . . 0.428 ' O ' ' HA ' ' A' ' 582' ' ' ILE . 17.1 mm-40 -101.14 126.37 47.84 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 110.183 -0.302 . . . . 1.93 110.183 -178.732 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 36.3 mtmm -83.21 107.36 15.7 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.704 -0.48 . . . . 2.64 109.704 177.269 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 588' ' ' LEU . . . . . 0.51 HD13 ' CD1' ' A' ' 540' ' ' LEU . 32.3 mt -86.29 121.74 29.29 Favored 'General case' 0 CA--C 1.502 -0.869 0 CA-C-N 115.792 -0.64 . . . . 1.09 110.183 -177.631 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 589' ' ' LEU . . . . . 0.419 ' HG ' ' HG3' ' A' ' 591' ' ' ARG . 18.6 tp -83.61 109.0 17.07 Favored 'General case' 0 N--CA 1.434 -1.244 0 N-CA-C 108.415 -0.957 . . . . 1.1 108.415 175.248 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 590' ' ' ILE . . . . . . . . . . . . . 49.5 mt -95.12 117.1 38.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 108.69 -0.856 . . . . 1.04 108.69 -179.397 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 591' ' ' ARG . . . . . 0.419 ' HG3' ' HG ' ' A' ' 589' ' ' LEU . 66.1 mtm180 -132.33 162.29 31.43 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 113.528 0.936 . . . . 3.66 113.528 -170.151 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 592' ' ' MET . . . . . 0.487 ' HG2' HG13 ' A' ' 573' ' ' VAL . 0.1 OUTLIER -76.15 129.61 37.03 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 114.783 -1.099 . . . . 1.06 110.792 -177.775 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 593' ' ' SER . . . . . 0.431 ' OG ' ' HB3' ' A' ' 523' ' ' HIS . 16.7 m -87.68 126.45 34.98 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.664 0.269 . . . . 1.57 110.777 175.83 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 14.8 t -98.3 -7.23 29.4 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.576 0.703 . . . . 2.17 109.561 176.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 60.8 mtp180 -91.63 -11.11 38.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.425 -0.807 . . . . 3.39 111.363 -179.124 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 58.1 m-85 -131.96 132.67 43.71 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.8 0.333 . . . . 1.27 110.697 -178.01 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -92.48 -41.5 10.25 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.569 0.699 . . . . 3.84 110.261 170.374 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -156.21 149.62 24.62 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.931 -0.577 . . . . 2.02 110.757 -178.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 599' ' ' LEU . . . . . . . . . . . . . 94.5 mt . . . . . 0 C--N 1.319 -0.737 0 CA-C-N 115.556 -0.747 . . . . 1.09 110.592 -177.147 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 60.7 t . . . . . 0 CA--C 1.518 -0.284 0 N-CA-C 109.927 -0.398 . . . . 1.08 109.927 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 522' ' ' VAL . . . . . . . . . . . . . 89.3 t -99.11 130.92 47.32 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.877 0 CA-C-O 121.227 0.537 . . . . 1.07 110.312 179.228 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -106.04 123.27 47.73 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.476 -0.783 . . . . 2.21 109.747 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 524' ' ' ILE . . . . . 0.421 HD12 HG12 ' A' ' 537' ' ' VAL . 77.5 mt -103.76 132.1 50.93 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.891 0 CA-C-N 115.426 -0.807 . . . . 1.06 109.325 179.695 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 525' ' ' CYS . . . . . 0.458 ' SG ' ' HB3' ' A' ' 589' ' ' LEU . 2.1 p -126.75 172.27 10.48 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.154 -0.476 . . . . 2.22 111.276 -174.352 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 68.59 25.96 6.48 Favored 'General case' 0 N--CA 1.468 0.436 0 O-C-N 124.116 0.885 . . . . 1.74 110.59 -176.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 85.0 mt -81.6 121.99 80.23 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 115.863 -0.608 . . . . 1.09 110.56 -178.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 528' ' ' PRO . . . . . 0.473 ' HD2' ' SG ' ' A' ' 532' ' ' CYS . 32.2 Cg_endo -67.28 130.55 22.82 Favored 'Trans proline' 0 N--CA 1.46 -0.466 0 C-N-CA 121.706 1.604 . . . . 0.88 111.313 176.188 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -68.51 125.72 27.39 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.063 -0.517 . . . . 2.98 111.607 -176.514 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 85.29 -16.41 39.25 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 121.044 -0.598 . . . . 0.97 112.699 176.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 18.1 m -91.83 -25.86 18.79 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.965 0.412 . . . . 1.63 110.659 -179.408 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 532' ' ' CYS . . . . . 0.473 ' SG ' ' HD2' ' A' ' 528' ' ' PRO . 38.0 m -85.94 138.91 31.66 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.141 -0.481 . . . . 1.73 110.507 179.055 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 44.1 p -110.68 169.84 8.49 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.75 -0.463 . . . . 1.27 109.75 175.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -61.33 -42.66 99.05 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.315 -0.624 . . . . 1.32 109.315 175.286 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -61.9 -43.88 97.93 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.162 -0.926 . . . . 2.62 111.747 -175.539 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 536' ' ' ASP . . . . . 0.603 ' O ' ' HG ' ' A' ' 540' ' ' LEU . 13.7 m-20 -64.05 -48.05 77.78 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.817 0.341 . . . . 0.52 111.071 -176.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 537' ' ' VAL . . . . . 0.421 HG12 HD12 ' A' ' 524' ' ' ILE . 96.1 t -63.7 -45.0 98.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.939 -0.573 . . . . 1.07 111.302 -175.684 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 538' ' ' ILE . . . . . 0.461 ' O ' ' HG ' ' A' ' 542' ' ' LEU . 90.4 mt -67.12 -45.78 85.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.394 -0.366 . . . . 1.07 111.014 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 539' ' ' ASN . . . . . 0.541 ' O ' ' HD3' ' A' ' 543' ' ' PRO . 23.7 m-80 -66.25 -26.65 67.46 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.394 0.516 . . . . 1.74 112.394 -178.042 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 540' ' ' LEU . . . . . 0.603 ' HG ' ' O ' ' A' ' 536' ' ' ASP . 35.2 mt -68.01 -35.2 77.9 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.75 -0.38 . . . . 1.08 111.665 177.159 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -79.02 -37.78 24.52 Favored Glycine 0 N--CA 1.453 -0.18 0 C-N-CA 120.394 -0.907 . . . . 0.26 112.329 -178.687 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 542' ' ' LEU . . . . . 0.525 ' HA ' ' O ' ' A' ' 545' ' ' GLY . 96.9 mt -47.78 -45.08 60.0 Favored Pre-proline 0 CA--C 1.545 0.78 0 N-CA-C 115.112 1.523 . . . . 1.11 115.112 -175.139 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 543' ' ' PRO . . . . . 0.541 ' HD3' ' O ' ' A' ' 539' ' ' ASN . 30.6 Cg_exo -47.01 -35.07 17.98 Favored 'Trans proline' 0 C--N 1.361 1.206 0 C-N-CA 122.656 2.237 . . . . 0.22 115.67 -172.747 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 544' ' ' PHE . . . . . 0.427 ' HB2' ' CB ' ' A' ' 572' ' ' MET . 88.8 m-85 -111.79 -18.03 12.82 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 119.927 -0.709 . . . . 0.42 112.684 177.211 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 545' ' ' GLY . . . . . 0.525 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . -150.05 138.09 6.55 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.692 -0.766 . . . . 1.14 112.955 178.555 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 58.4 tptt -76.01 138.51 40.95 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.88 0.371 . . . . 2.18 111.37 -179.029 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 547' ' ' VAL . . . . . 0.479 ' HA ' ' O ' ' A' ' 562' ' ' GLU . 95.6 t -93.54 136.53 24.99 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.572 0 CA-C-N 115.35 -0.841 . . . . 1.06 110.812 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 39.9 p -104.31 -40.13 6.22 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.257 0.551 . . . . 1.05 111.597 179.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 68.1 m-80 -149.08 166.72 27.89 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.515 -0.92 . . . . 1.46 108.515 -178.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 41.4 p90 -146.64 149.84 34.28 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.535 -0.466 . . . . 0.99 111.04 177.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 24.8 mt -130.85 123.31 54.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 109.003 -0.74 . . . . 1.19 109.003 173.307 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 552' ' ' LEU . . . . . . . . . . . . . 70.8 mt -111.27 114.41 27.58 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 115.905 -0.588 . . . . 1.21 110.708 -176.178 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 60.0 mtt -107.46 85.13 2.07 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.402 -0.592 . . . . 1.46 109.402 176.108 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.15 -30.42 69.55 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.538 -0.542 . . . . 1.98 109.538 -179.468 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 64.5 p -66.45 -31.27 71.91 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.301 -0.863 . . . . 1.26 111.965 -178.188 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 76.7 p -105.04 10.79 33.92 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-O 121.197 0.522 . . . . 1.41 110.23 -178.197 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 4.9 t30 57.34 42.44 24.96 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 114.81 -1.087 . . . . 2.35 110.843 177.218 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -147.13 152.99 39.38 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.067 0.46 . . . . 2.3 111.188 -175.466 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -130.57 146.19 52.04 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.378 -0.374 . . . . 1.06 110.349 175.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 560' ' ' PHE . . . . . 0.4 ' HB3' HD23 ' A' ' 599' ' ' LEU . 71.7 m-85 -124.8 128.85 49.36 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.959 -0.564 . . . . 0.45 109.569 179.613 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 561' ' ' LEU . . . . . 0.415 ' HB3' ' HE2' ' A' ' 563' ' ' MET . 15.1 tp -124.49 137.01 54.46 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.199 -0.455 . . . . 1.06 110.2 -172.604 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 562' ' ' GLU . . . . . 0.479 ' O ' ' HA ' ' A' ' 547' ' ' VAL . 28.3 tt0 -107.13 139.33 41.74 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 122.421 0.289 . . . . 1.85 110.434 -175.55 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 563' ' ' MET . . . . . 0.732 ' HE1' ' SD ' ' A' ' 572' ' ' MET . 0.6 OUTLIER -114.4 153.3 30.11 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.569 0.699 . . . . 1.16 111.917 -176.105 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -75.25 -29.95 60.35 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 115.186 -0.915 . . . . 1.13 111.776 -176.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -127.87 144.14 51.1 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.171 -0.677 . . . . 1.44 109.171 -177.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 2.2 t -61.67 -35.98 79.55 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.105 -0.498 . . . . 1.18 110.921 -179.548 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -67.66 -32.96 74.01 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.718 -0.673 . . . . 1.91 110.841 176.017 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 568' ' ' ALA . . . . . 0.505 ' HB1' ' CA ' ' A' ' 545' ' ' GLY . . . -61.93 -44.54 96.57 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.15 -0.477 . . . . 1.07 110.389 -176.63 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -68.1 -46.31 71.29 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.904 -0.589 . . . . 1.06 111.277 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 570' ' ' GLN . . . . . 0.5 ' O ' ' HG2' ' A' ' 574' ' ' GLN . 46.0 mt-30 -68.76 -46.01 69.92 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.378 -0.374 . . . . 1.35 111.774 -177.207 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -63.8 -41.74 97.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.385 -0.37 . . . . 1.09 111.593 -175.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 572' ' ' MET . . . . . 0.732 ' SD ' ' HE1' ' A' ' 563' ' ' MET . 14.9 ptp -65.34 -44.6 87.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.027 0.441 . . . . 1.11 109.949 179.74 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 573' ' ' VAL . . . . . 0.492 ' N ' ' HG3' ' A' ' 572' ' ' MET . 51.6 t -67.04 -37.59 79.64 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.655 0 CA-C-N 115.787 -0.642 . . . . 1.05 111.617 -176.116 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 574' ' ' GLN . . . . . 0.5 ' HG2' ' O ' ' A' ' 570' ' ' GLN . 28.9 mm-40 -60.13 -36.98 78.68 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.574 -0.528 . . . . 2.38 109.574 176.519 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -68.57 -47.53 66.57 Favored 'General case' 0 C--O 1.218 -0.58 0 CA-C-N 115.715 -0.675 . . . . 0.99 110.693 174.161 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 576' ' ' TYR . . . . . 0.468 ' CB ' ' HB ' ' A' ' 590' ' ' ILE . 21.1 m-85 -76.75 -17.84 58.82 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 113.18 0.807 . . . . 0.38 113.18 -173.2 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 62.0 mt-30 -79.06 -26.89 43.04 Favored 'General case' 0 C--N 1.318 -0.804 0 C-N-CA 120.013 -0.675 . . . . 1.86 110.932 174.399 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -96.7 -38.59 9.86 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.172 0.51 . . . . 2.07 110.715 177.466 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -129.94 82.32 66.8 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-N 115.692 -0.685 . . . . 2.57 109.548 176.008 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 580' ' ' PRO . . . . . 0.438 ' HB3' ' O ' ' A' ' 588' ' ' LEU . 14.7 Cg_exo -71.65 159.19 51.69 Favored 'Trans proline' 0 CA--C 1.529 0.272 0 C-N-CA 123.429 2.753 . . . . 0.21 112.87 -174.432 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -93.42 153.08 18.7 Favored 'General case' 0 C--O 1.222 -0.345 0 CA-C-N 116.142 -0.481 . . . . 1.02 110.284 -176.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 582' ' ' ILE . . . . . 0.447 HG12 ' HG2' ' A' ' 587' ' ' LYS . 56.8 mt -114.45 127.42 71.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 112.411 0.523 . . . . 1.16 112.411 -170.545 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 583' ' ' ILE . . . . . . . . . . . . . 16.9 mt -122.5 123.41 68.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.867 -0.606 . . . . 1.42 110.459 171.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 53.8 m-80 51.71 45.74 27.65 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 115.905 -0.589 . . . . 1.7 112.109 -178.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 78.01 8.31 87.39 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.981 -0.628 . . . . 0.69 113.683 173.249 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -116.39 133.41 56.05 Favored 'General case' 0 N--CA 1.433 -1.32 0 CA-C-N 117.305 0.552 . . . . 1.93 109.86 178.386 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 587' ' ' LYS . . . . . 0.447 ' HG2' HG12 ' A' ' 582' ' ' ILE . 52.2 mtmt -83.51 107.87 16.27 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.016 -0.538 . . . . 2.64 110.152 179.261 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 588' ' ' LEU . . . . . 0.438 ' O ' ' HB3' ' A' ' 580' ' ' PRO . 37.6 mt -77.63 128.73 34.58 Favored 'General case' 0 CA--C 1.505 -0.776 0 CA-C-N 115.764 -0.653 . . . . 1.09 110.403 -176.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 589' ' ' LEU . . . . . 0.458 ' HB3' ' SG ' ' A' ' 525' ' ' CYS . 53.4 tp -82.8 108.16 15.94 Favored 'General case' 0 C--N 1.309 -1.164 0 N-CA-C 108.01 -1.107 . . . . 1.1 108.01 171.326 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 590' ' ' ILE . . . . . 0.468 ' HB ' ' CB ' ' A' ' 576' ' ' TYR . 59.4 mt -96.7 114.71 34.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 N-CA-C 107.412 -1.329 . . . . 1.04 107.412 177.631 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 591' ' ' ARG . . . . . 0.44 ' HA ' ' CG1' ' A' ' 573' ' ' VAL . 12.7 ptt180 -142.06 165.05 28.5 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.367 0.506 . . . . 3.66 112.367 -169.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 592' ' ' MET . . . . . 0.421 ' HG2' HG13 ' A' ' 573' ' ' VAL . 0.3 OUTLIER -72.2 128.33 35.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.532 -0.758 . . . . 1.06 110.506 -175.421 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 45.7 t -87.52 133.91 33.7 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.686 0.279 . . . . 1.57 110.513 178.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 2.9 p -98.84 -8.24 26.1 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.065 0.459 . . . . 2.17 110.881 174.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -77.13 -36.49 55.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.012 -0.54 . . . . 3.39 110.426 -179.266 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -119.1 135.51 54.62 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.191 0.519 . . . . 1.27 111.633 178.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 34.4 mtmm -90.47 -21.67 21.76 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.692 -0.855 . . . . 3.84 108.692 168.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -160.21 158.29 29.78 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.791 -1.095 . . . . 2.02 108.998 178.585 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 599' ' ' LEU . . . . . 0.44 HD13 ' HB2' ' A' ' 562' ' ' GLU . 98.6 mt . . . . . 0 C--N 1.318 -0.777 0 N-CA-C 109.286 -0.635 . . . . 1.09 109.286 175.623 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 521' ' ' VAL . . . . . 0.454 ' O ' ' HB3' ' A' ' 593' ' ' SER . 61.5 t . . . . . 0 C--O 1.223 -0.34 0 N-CA-C 109.025 -0.732 . . . . 1.08 109.025 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 522' ' ' VAL . . . . . . . . . . . . . 86.1 t -99.58 133.89 40.8 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.871 0 CA-C-O 120.61 0.243 . . . . 1.07 110.426 -178.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 3.8 p-80 -110.69 140.05 45.41 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.655 -0.418 . . . . 2.21 109.934 178.385 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 524' ' ' ILE . . . . . 0.434 HD13 HG11 ' A' ' 537' ' ' VAL . 77.8 mt -112.12 130.04 66.52 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 115.812 -0.631 . . . . 1.06 110.774 -178.72 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 66.7 m -111.1 174.9 5.64 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.675 -0.693 . . . . 2.22 110.894 -177.604 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 13.6 m120 68.82 27.05 5.82 Favored 'General case' 0 N--CA 1.467 0.422 0 O-C-N 123.724 0.64 . . . . 1.74 111.599 177.541 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 85.7 mt -88.4 119.6 70.23 Favored Pre-proline 0 C--N 1.321 -0.636 0 CA-C-N 116.524 -0.307 . . . . 1.09 111.229 -177.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 528' ' ' PRO . . . . . 0.821 ' HD2' ' SG ' ' A' ' 532' ' ' CYS . 22.3 Cg_exo -68.34 130.81 21.91 Favored 'Trans proline' 0 C--O 1.237 0.462 0 C-N-CA 122.157 1.905 . . . . 0.88 112.028 169.373 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.33 139.76 52.08 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.009 -0.541 . . . . 2.98 111.042 176.732 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 80.14 -19.47 6.64 Favored Glycine 0 CA--C 1.518 0.228 0 CA-C-N 116.168 -0.469 . . . . 0.97 113.808 173.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 9.5 t -100.79 -34.28 9.89 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 117.169 0.484 . . . . 1.63 110.701 -177.452 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 532' ' ' CYS . . . . . 0.821 ' SG ' ' HD2' ' A' ' 528' ' ' PRO . 58.3 m -80.85 142.53 33.56 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.706 -0.479 . . . . 1.73 109.706 176.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 62.0 p -105.87 159.02 16.35 Favored 'General case' 0 N--CA 1.442 -0.834 0 C-N-CA 120.346 -0.542 . . . . 1.27 109.614 176.015 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 534' ' ' GLU . . . . . 0.459 ' HG2' ' CD1' ' A' ' 552' ' ' LEU . 24.5 mt-10 -55.55 -38.13 68.88 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 109.127 -0.694 . . . . 1.32 109.127 175.643 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -61.48 -43.83 98.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.614 -1.175 . . . . 2.62 111.358 -177.305 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 536' ' ' ASP . . . . . 0.594 ' O ' ' HG ' ' A' ' 540' ' ' LEU . 25.8 m-20 -62.13 -47.45 84.49 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 121.033 0.445 . . . . 0.52 110.82 -178.846 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 537' ' ' VAL . . . . . 0.434 HG11 HD13 ' A' ' 524' ' ' ILE . 85.8 t -62.2 -43.34 97.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.63 -0.714 . . . . 1.07 110.911 -177.653 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 97.0 mt -66.84 -41.93 88.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.988 -0.551 . . . . 1.07 110.64 177.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 539' ' ' ASN . . . . . 0.62 ' O ' ' HD3' ' A' ' 543' ' ' PRO . 75.3 m-20 -64.26 -29.32 70.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.838 -0.619 . . . . 1.74 112.138 -179.097 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 540' ' ' LEU . . . . . 0.594 ' HG ' ' O ' ' A' ' 536' ' ' ASP . 30.5 mt -64.51 -38.64 91.73 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 111.997 0.369 . . . . 1.08 111.997 -177.51 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -79.4 -35.68 28.87 Favored Glycine 0 CA--C 1.518 0.246 0 C-N-CA 120.515 -0.85 . . . . 0.26 112.746 -177.261 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 542' ' ' LEU . . . . . . . . . . . . . 69.6 mt -49.02 -44.43 71.81 Favored Pre-proline 0 CA--C 1.549 0.916 0 N-CA-C 115.323 1.601 . . . . 1.11 115.323 -175.625 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 543' ' ' PRO . . . . . 0.62 ' HD3' ' O ' ' A' ' 539' ' ' ASN . 70.8 Cg_exo -50.22 -33.38 35.93 Favored 'Trans proline' 0 C--N 1.355 0.886 0 C-N-CA 122.088 1.859 . . . . 0.22 115.527 -172.549 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -111.02 -17.72 13.21 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 113.214 0.82 . . . . 0.42 113.214 177.556 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -131.03 -148.53 6.28 Favored Glycine 0 C--O 1.227 -0.303 0 C-N-CA 120.803 -0.713 . . . . 1.14 113.314 -179.074 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 546' ' ' LYS . . . . . 0.601 ' O ' ' HA ' ' A' ' 563' ' ' MET . 60.1 tptt -143.95 139.51 29.15 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 109.7 -0.482 . . . . 2.18 109.7 178.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 547' ' ' VAL . . . . . 0.453 ' HA ' ' O ' ' A' ' 562' ' ' GLU . 90.3 t -104.81 118.78 52.73 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.591 0 CA-C-O 121.124 0.488 . . . . 1.06 110.428 -178.812 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 31.5 p -94.0 -38.56 11.1 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 115.59 -0.732 . . . . 1.05 111.012 178.212 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -147.64 166.08 28.5 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.434 -0.803 . . . . 1.46 109.449 -175.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 3.2 p90 -149.79 148.81 29.64 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.988 -0.375 . . . . 0.99 109.988 174.354 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 551' ' ' ILE . . . . . 0.409 HD13 HD22 ' A' ' 599' ' ' LEU . 17.1 mt -137.61 123.13 25.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 121.357 0.599 . . . . 1.19 109.591 176.473 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 552' ' ' LEU . . . . . 0.459 ' CD1' ' HG2' ' A' ' 534' ' ' GLU . 84.0 mt -105.27 115.6 30.54 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.575 -0.739 . . . . 1.21 110.985 -177.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 24.4 mmt -101.82 84.33 2.53 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.644 -0.873 . . . . 1.46 108.644 173.46 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 31.1 mmtp -69.56 -29.07 66.55 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.879 -0.6 . . . . 1.98 110.913 -178.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 67.1 p -58.56 -35.8 72.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.837 -0.62 . . . . 1.26 111.183 177.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 69.4 p -101.17 5.49 42.71 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.172 0.511 . . . . 1.41 110.554 177.456 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 6.3 t30 56.93 42.64 25.99 Favored 'General case' 0 C--O 1.226 -0.164 0 CA-C-N 114.996 -1.002 . . . . 2.35 111.002 179.284 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -140.22 155.36 46.93 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.842 0.353 . . . . 2.3 110.581 -175.407 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -129.93 143.84 51.01 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.778 0.323 . . . . 1.06 111.086 -177.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 560' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -122.91 137.13 55.03 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.759 -0.655 . . . . 0.45 109.91 178.119 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 15.4 tp -127.04 133.51 50.49 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.18 -0.464 . . . . 1.06 109.928 -175.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 562' ' ' GLU . . . . . 0.453 ' O ' ' HA ' ' A' ' 547' ' ' VAL . 28.1 tt0 -100.97 139.1 37.13 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-O 120.733 0.302 . . . . 1.85 110.6 -177.499 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 563' ' ' MET . . . . . 0.658 ' HE3' ' SD ' ' A' ' 572' ' ' MET . 0.7 OUTLIER -110.96 155.16 23.09 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.07 -0.514 . . . . 1.16 111.31 -179.171 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -66.32 -45.87 78.84 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.002 -0.545 . . . . 1.13 111.455 -177.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -133.53 155.92 48.73 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.793 -0.64 . . . . 1.44 109.612 -178.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 9.4 t -56.43 -35.06 67.41 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.765 0.317 . . . . 1.18 110.444 179.348 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -61.89 -33.97 75.19 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-N 115.979 -0.555 . . . . 1.91 111.064 177.519 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 568' ' ' ALA . . . . . 0.416 ' HB3' ' H ' ' A' ' 546' ' ' LYS . . . -67.67 -46.57 71.96 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.105 0.478 . . . . 1.07 110.101 -179.648 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 569' ' ' ALA . . . . . 0.436 ' HA ' ' HG2' ' A' ' 563' ' ' MET . . . -69.42 -46.98 65.52 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.481 -0.781 . . . . 1.06 111.949 -178.183 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 570' ' ' GLN . . . . . 0.421 HE21 ' HB3' ' A' ' 570' ' ' GLN . 1.5 pt20 -69.34 -42.22 75.59 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.614 -0.266 . . . . 1.35 111.207 -175.324 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -62.51 -45.08 94.64 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 120.709 0.29 . . . . 1.09 111.162 -177.399 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 572' ' ' MET . . . . . 0.658 ' SD ' ' HE3' ' A' ' 563' ' ' MET . 19.7 ptp -66.46 -45.45 79.69 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 116.153 -0.476 . . . . 1.11 110.255 -178.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 573' ' ' VAL . . . . . 0.477 ' N ' ' HG3' ' A' ' 572' ' ' MET . 70.8 t -67.3 -36.73 77.47 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.471 0 CA-C-N 116.271 -0.422 . . . . 1.05 111.744 -176.128 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 25.8 mm-40 -58.59 -37.54 76.03 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.563 -0.532 . . . . 2.38 109.563 176.566 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 73.2 t80 -69.41 -49.92 50.67 Favored 'General case' 0 C--O 1.217 -0.611 0 CA-C-N 115.784 -0.643 . . . . 0.99 110.928 172.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 576' ' ' TYR . . . . . 0.509 ' CE1' ' HB2' ' A' ' 572' ' ' MET . 21.2 m-85 -72.89 -23.96 60.78 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 113.039 0.755 . . . . 0.38 113.039 -171.611 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -69.24 -30.45 68.59 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.307 -0.557 . . . . 1.86 110.51 174.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 39.7 mm-40 -97.39 -39.34 9.24 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.102 -0.499 . . . . 2.07 111.162 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -129.26 78.94 75.13 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 115.834 -0.621 . . . . 2.57 109.539 178.433 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -69.54 159.59 52.99 Favored 'Trans proline' 0 CA--C 1.533 0.431 0 C-N-CA 123.716 2.944 . . . . 0.21 113.733 -173.364 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -92.33 153.97 18.87 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 115.543 -0.753 . . . . 1.02 110.906 -174.127 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 582' ' ' ILE . . . . . 0.447 HG12 ' HG2' ' A' ' 587' ' ' LYS . 75.6 mt -112.84 129.06 69.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 113.277 0.843 . . . . 1.16 113.277 -169.113 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 583' ' ' ILE . . . . . 0.404 HD13 HD13 ' A' ' 588' ' ' LEU . 18.2 mt -124.19 127.47 73.36 Favored 'Isoleucine or valine' 0 C--O 1.234 0.282 0 CA-C-N 115.298 -0.865 . . . . 1.42 109.418 167.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 59.71 33.77 21.93 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 122.873 0.469 . . . . 1.7 111.787 -179.567 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 82.21 -4.12 78.05 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.782 -0.723 . . . . 0.69 113.541 176.427 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -107.15 138.2 43.77 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 117.162 0.481 . . . . 1.93 110.328 179.785 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 587' ' ' LYS . . . . . 0.447 ' HG2' HG12 ' A' ' 582' ' ' ILE . 28.8 mtpp -82.97 117.23 22.65 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.954 -0.566 . . . . 2.64 110.317 -178.81 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 588' ' ' LEU . . . . . 0.41 HD12 ' CD1' ' A' ' 540' ' ' LEU . 38.2 mt -85.68 136.28 33.42 Favored 'General case' 0 CA--C 1.509 -0.633 0 CA-C-N 115.583 -0.735 . . . . 1.09 109.698 178.75 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 50.5 tp -83.26 109.76 17.51 Favored 'General case' 0 C--N 1.313 -0.98 0 C-N-CA 120.002 -0.679 . . . . 1.1 109.183 173.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 590' ' ' ILE . . . . . 0.451 ' HB ' ' CB ' ' A' ' 576' ' ' TYR . 44.1 mt -97.26 114.98 35.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 N-CA-C 107.463 -1.31 . . . . 1.04 107.463 176.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 591' ' ' ARG . . . . . 0.451 ' HA ' ' CG1' ' A' ' 573' ' ' VAL . 13.5 ptm180 -143.28 156.77 44.8 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.274 0.559 . . . . 3.66 112.469 -170.234 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 592' ' ' MET . . . . . 0.47 ' HG2' HG12 ' A' ' 573' ' ' VAL . 0.6 OUTLIER -64.03 125.02 23.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.067 -0.97 . . . . 1.06 109.997 -178.004 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 593' ' ' SER . . . . . 0.454 ' HB3' ' O ' ' A' ' 521' ' ' VAL . 29.9 t -89.57 135.84 33.37 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.874 0.369 . . . . 1.57 110.188 177.585 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 16.7 p -97.43 -4.05 38.96 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.381 0.61 . . . . 2.17 110.182 175.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -84.35 -25.25 29.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.37 -0.832 . . . . 3.39 111.376 -176.288 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 47.4 m-85 -131.3 132.88 44.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.041 0.448 . . . . 1.27 111.295 177.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 28.6 ttpp -92.03 -29.17 16.73 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.563 -0.744 . . . . 3.84 109.711 172.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -157.71 145.53 18.72 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 114.975 -1.011 . . . . 2.02 109.396 -178.441 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 599' ' ' LEU . . . . . 0.409 HD22 HD13 ' A' ' 551' ' ' ILE . 77.2 mt . . . . . 0 C--N 1.323 -0.544 0 CA-C-O 121.497 0.665 . . . . 1.09 111.0 -179.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 95.0 t . . . . . 0 N--CA 1.449 -0.478 0 CA-C-O 121.25 0.547 . . . . 1.08 110.541 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 522' ' ' VAL . . . . . . . . . . . . . 48.0 t -107.84 133.92 51.22 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.941 0 CA-C-N 115.638 -0.71 . . . . 1.07 109.272 176.388 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 523' ' ' HIS . . . . . 0.562 ' HB3' ' OG ' ' A' ' 593' ' ' SER . 8.2 p-80 -111.91 140.29 46.69 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.281 0.562 . . . . 2.21 110.481 -178.508 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 524' ' ' ILE . . . . . . . . . . . . . 76.7 mt -113.32 130.46 67.24 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.86 0 CA-C-N 115.193 -0.912 . . . . 1.06 110.365 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 22.0 p -120.27 175.31 6.01 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.959 -0.564 . . . . 2.22 110.274 -179.005 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 18.6 m120 67.11 29.78 7.69 Favored 'General case' 0 N--CA 1.467 0.385 0 O-C-N 123.533 0.52 . . . . 1.74 110.755 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 78.5 mt -80.73 122.08 81.8 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 115.785 -0.643 . . . . 1.09 110.799 -176.267 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 528' ' ' PRO . . . . . 0.481 ' HD2' ' SG ' ' A' ' 532' ' ' CYS . 39.9 Cg_endo -68.26 130.21 20.82 Favored 'Trans proline' 0 N--CA 1.459 -0.528 0 C-N-CA 121.821 1.68 . . . . 0.88 111.421 177.788 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -68.45 125.41 26.39 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.654 -0.703 . . . . 2.98 110.88 -177.524 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 82.28 -15.89 26.25 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.98 -0.628 . . . . 0.97 113.659 176.378 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 46.6 t -89.93 -36.7 14.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 117.41 0.605 . . . . 1.63 110.938 -177.662 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 532' ' ' CYS . . . . . 0.481 ' SG ' ' HD2' ' A' ' 528' ' ' PRO . 74.6 m -87.01 138.95 31.06 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.633 -0.258 . . . . 1.73 110.733 176.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 81.5 p -105.68 169.82 8.25 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.44 -0.578 . . . . 1.27 109.44 174.093 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 534' ' ' GLU . . . . . 0.521 ' HG3' ' CD1' ' A' ' 552' ' ' LEU . 1.6 mp0 -57.0 -44.34 82.68 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.04 0.447 . . . . 1.32 110.342 -179.748 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -61.86 -41.88 98.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.652 -0.704 . . . . 2.62 111.698 -176.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 536' ' ' ASP . . . . . 0.461 ' O ' ' HG ' ' A' ' 540' ' ' LEU . 60.6 m-20 -58.9 -47.53 84.65 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 120.961 0.41 . . . . 0.52 110.655 -176.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 48.4 t -63.35 -45.69 97.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.457 -0.792 . . . . 1.07 110.532 -177.356 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 92.6 mt -62.93 -40.42 88.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.777 -0.647 . . . . 1.07 111.005 178.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 539' ' ' ASN . . . . . 0.615 ' O ' ' HD3' ' A' ' 543' ' ' PRO . 0.9 OUTLIER -69.27 -28.75 66.57 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.906 -0.588 . . . . 1.74 112.104 -176.846 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 540' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' A' ' 536' ' ' ASP . 24.2 mt -64.11 -33.07 74.94 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.678 0.622 . . . . 1.08 112.678 -176.414 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -78.27 -32.1 44.49 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 119.906 -1.14 . . . . 0.26 111.953 179.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 542' ' ' LEU . . . . . 0.442 HD12 ' HA ' ' A' ' 539' ' ' ASN . 96.1 mt -53.82 -39.42 73.1 Favored Pre-proline 0 CA--C 1.549 0.922 0 N-CA-C 115.406 1.632 . . . . 1.11 115.406 -173.344 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 543' ' ' PRO . . . . . 0.615 ' HD3' ' O ' ' A' ' 539' ' ' ASN . 79.7 Cg_exo -53.39 -34.24 70.19 Favored 'Trans proline' 0 C--N 1.355 0.916 0 CA-C-N 121.258 1.485 . . . . 0.22 115.05 -174.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 544' ' ' PHE . . . . . 0.482 ' HB2' ' CB ' ' A' ' 572' ' ' MET . 90.6 m-85 -111.26 -18.47 12.94 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 113.094 0.775 . . . . 0.42 113.094 177.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 545' ' ' GLY . . . . . 0.489 ' CA ' ' HB2' ' A' ' 568' ' ' ALA . . . -131.61 -159.6 9.51 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.718 -0.753 . . . . 1.14 113.38 -179.434 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 546' ' ' LYS . . . . . 0.615 ' O ' ' HA ' ' A' ' 563' ' ' MET . 55.8 tttp -136.44 137.84 40.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 122.595 -0.356 . . . . 2.18 110.391 175.234 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 547' ' ' VAL . . . . . 0.497 ' HA ' ' O ' ' A' ' 562' ' ' GLU . 94.0 t -95.67 133.4 36.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 123.509 0.505 . . . . 1.06 111.049 -178.131 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 36.4 p -107.86 -38.14 5.91 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.759 -0.655 . . . . 1.05 111.288 175.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 43.9 m-20 -148.71 165.78 30.35 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.898 -0.592 . . . . 1.46 110.095 -176.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 7.8 p90 -147.82 148.59 31.06 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.055 0.455 . . . . 0.99 111.05 177.026 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 25.8 mt -133.14 121.48 43.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 108.59 -0.893 . . . . 1.19 108.59 171.453 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 552' ' ' LEU . . . . . 0.521 ' CD1' ' HG3' ' A' ' 534' ' ' GLU . 77.3 mt -112.1 115.55 29.06 Favored 'General case' 0 C--N 1.312 -1.026 0 CA-C-N 116.02 -0.537 . . . . 1.21 111.585 -175.853 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 66.7 mtt -108.36 84.66 1.98 Allowed 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.094 -0.706 . . . . 1.46 109.094 173.628 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 27.8 mmtp -68.26 -35.54 78.05 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.311 -0.859 . . . . 1.98 110.634 -175.588 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 65.1 p -68.5 -23.07 64.51 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.595 -0.73 . . . . 1.26 112.123 -177.457 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 76.6 p -107.09 10.28 30.23 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.946 -0.302 . . . . 1.41 111.342 179.201 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 57.17 44.06 22.92 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 115.633 -0.712 . . . . 2.35 110.872 178.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -140.97 148.7 40.76 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.083 0.468 . . . . 2.3 110.831 -178.366 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 559' ' ' ALA . . . . . 0.479 ' O ' ' HA ' ' A' ' 523' ' ' HIS . . . -134.92 143.37 46.88 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 116.01 -0.541 . . . . 1.06 110.021 177.346 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 560' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -125.95 127.02 45.3 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.834 -0.432 . . . . 0.45 109.834 178.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 561' ' ' LEU . . . . . 0.412 HD23 ' HE3' ' A' ' 563' ' ' MET . 14.5 tp -126.72 129.95 49.4 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.026 -0.534 . . . . 1.06 109.782 -175.319 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 562' ' ' GLU . . . . . 0.497 ' O ' ' HA ' ' A' ' 547' ' ' VAL . 40.8 tt0 -99.21 137.97 36.97 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-O 120.647 0.261 . . . . 1.85 110.481 -174.517 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 563' ' ' MET . . . . . 0.721 ' HE1' ' SD ' ' A' ' 572' ' ' MET . 20.3 mmt -113.61 136.37 52.9 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.011 -0.54 . . . . 1.16 111.624 -175.194 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -65.05 -21.2 66.79 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-N 114.956 -1.02 . . . . 1.13 112.183 -176.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -130.78 139.89 50.26 Favored 'General case' 0 C--N 1.315 -0.933 0 N-CA-C 109.229 -0.656 . . . . 1.44 109.229 -177.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 15.0 t -66.85 -29.39 69.29 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.523 -0.547 . . . . 1.18 109.523 176.132 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -66.21 -40.5 90.4 Favored 'General case' 0 CA--C 1.511 -0.521 0 CA-C-N 115.837 -0.62 . . . . 1.91 110.019 173.052 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 568' ' ' ALA . . . . . 0.489 ' HB2' ' CA ' ' A' ' 545' ' ' GLY . . . -61.33 -46.33 90.71 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.407 -0.815 . . . . 1.07 110.687 -177.249 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 569' ' ' ALA . . . . . 0.423 ' O ' HG22 ' A' ' 573' ' ' VAL . . . -67.92 -47.7 68.01 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.192 -0.458 . . . . 1.06 111.693 -177.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 570' ' ' GLN . . . . . 0.579 ' O ' ' HG2' ' A' ' 574' ' ' GLN . 47.7 mt-30 -68.73 -45.79 70.59 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.564 -0.289 . . . . 1.35 111.334 -176.762 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -63.9 -45.37 89.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.511 -0.313 . . . . 1.09 111.625 -175.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 572' ' ' MET . . . . . 0.721 ' SD ' ' HE1' ' A' ' 563' ' ' MET . 18.6 ptp -62.2 -43.76 98.1 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.053 0.454 . . . . 1.11 110.076 -178.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 573' ' ' VAL . . . . . 0.468 HG12 ' HG2' ' A' ' 592' ' ' MET . 93.8 t -66.91 -35.96 76.01 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.752 0 CA-C-N 115.753 -0.658 . . . . 1.05 111.261 -178.116 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 574' ' ' GLN . . . . . 0.579 ' HG2' ' O ' ' A' ' 570' ' ' GLN . 29.1 mm-40 -58.63 -37.43 75.89 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.504 -0.554 . . . . 2.38 109.504 177.187 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 83.3 t80 -68.91 -49.6 56.74 Favored 'General case' 0 C--O 1.218 -0.563 0 CA-C-N 115.788 -0.642 . . . . 0.99 110.944 172.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 576' ' ' TYR . . . . . 0.468 ' CB ' ' HB ' ' A' ' 590' ' ' ILE . 25.4 m-85 -74.0 -17.02 61.04 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 112.894 0.702 . . . . 0.38 112.894 -172.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 17.7 mm-40 -73.96 -29.84 62.21 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-O 120.976 0.417 . . . . 1.86 110.231 173.121 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -98.25 -40.34 8.4 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.092 -0.503 . . . . 2.07 111.541 179.632 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -130.44 81.06 69.06 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-N 115.707 -0.679 . . . . 2.57 109.534 176.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_exo -67.74 159.9 50.66 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 123.515 2.81 . . . . 0.21 111.926 -175.497 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -91.71 135.93 33.52 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.927 0.394 . . . . 1.02 110.692 -172.421 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 45.3 mt -106.69 129.95 59.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-N 115.995 -0.548 . . . . 1.16 111.148 -173.33 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 583' ' ' ILE . . . . . . . . . . . . . 47.7 mt -121.81 117.95 54.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.353 -0.385 . . . . 1.42 110.367 176.026 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 52.85 44.73 29.96 Favored 'General case' 0 N--CA 1.464 0.262 0 O-C-N 123.703 0.627 . . . . 1.7 111.416 176.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 85.88 -4.11 86.28 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.98 -0.629 . . . . 0.69 113.386 176.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 60.2 mm-40 -101.94 126.58 48.89 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 117.19 0.495 . . . . 1.93 110.763 -179.245 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -84.48 107.14 16.57 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.772 -0.455 . . . . 2.64 109.772 178.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 588' ' ' LEU . . . . . 0.435 HD11 ' CD1' ' A' ' 540' ' ' LEU . 42.2 mt -89.17 123.22 33.22 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.178 -0.465 . . . . 1.09 110.297 -179.507 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 36.2 tp -83.03 109.2 16.9 Favored 'General case' 0 N--CA 1.437 -1.08 0 N-CA-C 108.47 -0.937 . . . . 1.1 108.47 174.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 590' ' ' ILE . . . . . 0.468 ' HB ' ' CB ' ' A' ' 576' ' ' TYR . 35.2 mt -95.94 115.24 34.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 N-CA-C 107.834 -1.173 . . . . 1.04 107.834 178.755 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 591' ' ' ARG . . . . . 0.46 ' HA ' ' CG1' ' A' ' 573' ' ' VAL . 13.5 ptm180 -142.35 158.78 43.34 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 113.055 0.761 . . . . 3.66 113.055 -169.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 592' ' ' MET . . . . . 0.468 ' HG2' HG12 ' A' ' 573' ' ' VAL . 0.1 OUTLIER -64.12 134.33 54.69 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.006 -0.997 . . . . 1.06 111.395 -174.89 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 593' ' ' SER . . . . . 0.562 ' OG ' ' HB3' ' A' ' 523' ' ' HIS . 19.3 m -88.78 127.1 35.6 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.624 0.25 . . . . 1.57 111.407 176.161 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 9.3 t -95.14 -23.34 17.34 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.244 -0.65 . . . . 2.17 109.244 171.663 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 39.6 mmt180 -71.4 -32.53 68.53 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.462 -0.79 . . . . 3.39 111.127 -178.257 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -124.78 130.95 53.39 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 110.25 -0.278 . . . . 1.27 110.25 179.002 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 44.0 mmtm -93.49 -35.52 12.91 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.303 0.573 . . . . 3.84 109.689 172.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -147.04 148.93 32.16 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.236 -0.893 . . . . 2.02 109.922 178.701 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 599' ' ' LEU . . . . . . . . . . . . . 80.1 mt . . . . . 0 C--N 1.322 -0.624 0 N-CA-C 109.702 -0.481 . . . . 1.09 109.702 175.456 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 71.6 t . . . . . 0 N--CA 1.448 -0.574 0 N-CA-C 108.44 -0.948 . . . . 1.08 108.44 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 522' ' ' VAL . . . . . . . . . . . . . 68.0 t -98.73 127.36 51.39 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.024 0 N-CA-C 109.865 -0.42 . . . . 1.07 109.865 -176.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 523' ' ' HIS . . . . . 0.45 ' HA ' ' O ' ' A' ' 559' ' ' ALA . 2.5 p-80 -106.37 138.29 42.82 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.23 0.538 . . . . 2.21 110.375 -179.701 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 524' ' ' ILE . . . . . 0.408 HD11 HG13 ' A' ' 537' ' ' VAL . 79.3 mt -112.1 137.7 43.82 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-N 115.351 -0.84 . . . . 1.06 110.056 -179.6 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 63.5 m -124.46 172.03 9.49 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.875 -0.602 . . . . 2.22 110.872 -174.361 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 63.9 37.7 9.37 Favored 'General case' 0 N--CA 1.467 0.38 0 O-C-N 123.72 0.637 . . . . 1.74 110.753 179.083 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 80.4 mt -90.14 122.27 67.79 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 115.962 -0.563 . . . . 1.09 110.751 -177.223 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 528' ' ' PRO . . . . . 0.484 ' HD2' ' SG ' ' A' ' 532' ' ' CYS . 32.8 Cg_endo -68.45 129.18 18.52 Favored 'Trans proline' 0 C--O 1.237 0.469 0 C-N-CA 121.622 1.548 . . . . 0.88 111.793 174.293 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -68.7 126.65 30.4 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.681 -0.69 . . . . 2.98 110.43 178.045 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 88.54 -17.79 46.71 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.709 -0.758 . . . . 0.97 113.526 174.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 7.6 t -99.03 -37.44 9.36 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 117.454 0.627 . . . . 1.63 110.888 -177.309 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 532' ' ' CYS . . . . . 0.484 ' SG ' ' HD2' ' A' ' 528' ' ' PRO . 76.5 m -87.9 135.58 33.34 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 110.093 -0.336 . . . . 1.73 110.093 173.71 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 69.3 p -105.83 170.42 7.91 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.889 -0.325 . . . . 1.27 110.133 178.557 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -52.64 -44.21 65.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.316 0.579 . . . . 1.32 109.73 175.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -59.8 -43.49 94.42 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 114.965 -1.016 . . . . 2.62 112.065 -175.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 536' ' ' ASP . . . . . 0.7 ' O ' ' HG ' ' A' ' 540' ' ' LEU . 27.8 m-20 -62.27 -46.54 88.32 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 120.68 -0.408 . . . . 0.52 110.45 -177.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 537' ' ' VAL . . . . . 0.408 HG13 HD11 ' A' ' 524' ' ' ILE . 52.3 t -61.64 -45.61 98.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.764 -0.653 . . . . 1.07 110.285 -177.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 95.8 mt -67.07 -41.39 87.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.77 -0.65 . . . . 1.07 111.02 178.572 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 539' ' ' ASN . . . . . 0.603 ' O ' ' HD3' ' A' ' 543' ' ' PRO . 85.9 m-20 -63.94 -28.35 69.77 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-N 116.197 -0.456 . . . . 1.74 111.816 -178.527 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 540' ' ' LEU . . . . . 0.7 ' HG ' ' O ' ' A' ' 536' ' ' ASP . 51.7 mt -68.26 -36.95 80.23 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.132 0.419 . . . . 1.08 112.132 -177.472 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -75.46 -38.64 37.73 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.144 -1.027 . . . . 0.26 112.323 -179.052 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 542' ' ' LEU . . . . . . . . . . . . . 98.0 mt -49.69 -42.59 68.82 Favored Pre-proline 0 CA--C 1.552 1.028 0 N-CA-C 115.284 1.587 . . . . 1.11 115.284 -173.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 543' ' ' PRO . . . . . 0.603 ' HD3' ' O ' ' A' ' 539' ' ' ASN . 90.0 Cg_exo -52.4 -34.53 61.51 Favored 'Trans proline' 0 C--N 1.356 0.957 0 C-N-CA 121.892 1.728 . . . . 0.22 115.457 -173.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 544' ' ' PHE . . . . . 0.488 ' HB2' ' CB ' ' A' ' 572' ' ' MET . 82.4 m-85 -110.84 -17.63 13.29 Favored 'General case' 0 N--CA 1.466 0.351 0 O-C-N 121.569 -0.707 . . . . 0.42 112.799 177.264 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 545' ' ' GLY . . . . . 0.413 ' HA3' ' CE ' ' A' ' 572' ' ' MET . . . -131.41 -147.75 6.06 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.936 -0.649 . . . . 1.14 113.103 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 546' ' ' LYS . . . . . 0.624 ' O ' ' HA ' ' A' ' 563' ' ' MET . 59.9 tttp -148.77 143.84 26.63 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.649 -0.5 . . . . 2.18 109.649 174.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 547' ' ' VAL . . . . . 0.474 ' HA ' ' O ' ' A' ' 562' ' ' GLU . 97.0 t -100.35 130.2 49.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.039 0.447 . . . . 1.06 110.859 -177.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 26.6 p -103.36 -39.54 6.75 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.67 -0.696 . . . . 1.05 111.335 175.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 64.6 m-80 -148.96 166.23 29.24 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.896 -0.593 . . . . 1.46 109.864 -179.139 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 10.9 p90 -148.05 150.35 33.78 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.594 -0.276 . . . . 0.99 110.408 176.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 14.2 mt -134.26 123.31 43.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 N-CA-C 109.008 -0.738 . . . . 1.19 109.008 173.463 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 552' ' ' LEU . . . . . . . . . . . . . 75.3 mt -111.78 113.6 26.06 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 116.316 -0.402 . . . . 1.21 111.549 -176.399 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 55.6 mtt -107.67 85.75 2.18 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.023 -0.732 . . . . 1.46 109.023 174.547 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp -67.97 -30.34 69.6 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.704 -0.68 . . . . 1.98 111.03 -176.258 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 67.1 p -63.25 -36.04 82.33 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.054 -0.521 . . . . 1.26 111.544 -178.655 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 73.6 p -98.62 10.28 41.39 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.723 0.297 . . . . 1.41 111.363 -178.445 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 57.72 42.55 23.47 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.632 -0.713 . . . . 2.35 110.724 -179.675 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 -135.88 148.7 48.72 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.189 0.519 . . . . 2.3 111.288 -174.661 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 559' ' ' ALA . . . . . 0.45 ' O ' ' HA ' ' A' ' 523' ' ' HIS . . . -132.87 143.83 49.78 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.786 -0.643 . . . . 1.06 109.897 175.427 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 560' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 -124.74 126.48 45.74 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 109.557 -0.534 . . . . 0.45 109.557 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 561' ' ' LEU . . . . . 0.453 HD21 ' HE1' ' A' ' 563' ' ' MET . 14.4 tp -125.47 130.18 51.28 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.306 -0.406 . . . . 1.06 109.986 -176.452 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 562' ' ' GLU . . . . . 0.474 ' O ' ' HA ' ' A' ' 547' ' ' VAL . 37.6 tt0 -100.08 138.14 37.56 Favored 'General case' 0 CA--C 1.515 -0.386 0 CA-C-N 116.416 -0.357 . . . . 1.85 110.42 -176.399 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 563' ' ' MET . . . . . 0.675 ' HE2' ' SD ' ' A' ' 572' ' ' MET . 16.4 mmt -112.55 135.67 52.99 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.063 -0.517 . . . . 1.16 110.805 -175.286 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -60.81 -24.01 65.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.466 -0.788 . . . . 1.13 112.84 -173.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -137.02 147.84 46.47 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.594 -0.275 . . . . 1.44 110.399 -177.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 15.2 t -58.88 -37.91 77.62 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.343 0.592 . . . . 1.18 110.316 177.542 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -67.21 -34.38 77.36 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.35 -0.841 . . . . 1.91 110.745 175.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 568' ' ' ALA . . . . . . . . . . . . . . . -61.94 -46.73 88.03 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.961 0.41 . . . . 1.07 109.952 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 569' ' ' ALA . . . . . 0.465 ' HA ' ' HG3' ' A' ' 563' ' ' MET . . . -68.55 -46.63 68.98 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.712 -0.677 . . . . 1.06 111.613 -179.605 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 570' ' ' GLN . . . . . 0.433 ' O ' ' HG2' ' A' ' 574' ' ' GLN . 48.3 mt-30 -68.8 -45.97 69.88 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.466 -0.334 . . . . 1.35 111.354 -175.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -62.14 -43.33 99.08 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 120.705 0.288 . . . . 1.09 111.38 -176.363 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 572' ' ' MET . . . . . 0.675 ' SD ' ' HE2' ' A' ' 563' ' ' MET . 19.0 ptp -68.25 -47.21 68.36 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.608 -0.437 . . . . 1.11 110.628 -177.571 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 573' ' ' VAL . . . . . 0.485 HG12 ' HG2' ' A' ' 592' ' ' MET . 91.2 t -67.39 -36.54 76.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.543 0 CA-C-N 116.326 -0.397 . . . . 1.05 111.773 -176.127 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 574' ' ' GLN . . . . . 0.433 ' HG2' ' O ' ' A' ' 570' ' ' GLN . 27.2 mm-40 -58.85 -37.91 77.54 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.577 -0.527 . . . . 2.38 109.577 176.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 66.6 t80 -69.54 -49.66 52.29 Favored 'General case' 0 C--O 1.219 -0.531 0 CA-C-N 115.895 -0.593 . . . . 0.99 111.01 173.073 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 576' ' ' TYR . . . . . 0.439 ' CE1' ' HB2' ' A' ' 572' ' ' MET . 22.2 m-85 -72.82 -16.47 61.61 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 112.935 0.717 . . . . 0.38 112.935 -172.422 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -79.27 -27.53 42.31 Favored 'General case' 0 C--N 1.314 -0.952 0 C-N-CA 120.284 -0.566 . . . . 1.86 110.607 173.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -96.49 -39.21 9.67 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.047 0.451 . . . . 2.07 110.855 178.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 42.5 mtpt -130.07 82.83 65.17 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 115.772 -0.649 . . . . 2.57 109.565 173.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_exo -68.04 161.75 42.94 Favored 'Trans proline' 0 C--O 1.234 0.278 0 C-N-CA 123.667 2.912 . . . . 0.21 112.224 -176.491 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -90.49 141.34 28.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.002 0.43 . . . . 1.02 110.254 -173.175 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 582' ' ' ILE . . . . . 0.444 HG12 ' HG2' ' A' ' 587' ' ' LYS . 44.6 mt -115.29 123.56 70.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.878 -0.601 . . . . 1.16 111.742 -169.099 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 583' ' ' ILE . . . . . 0.406 HD11 HD21 ' A' ' 540' ' ' LEU . 3.3 mp -121.06 124.25 71.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.946 -0.57 . . . . 1.42 109.982 174.48 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 11.8 m120 60.19 33.9 21.07 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 121.126 0.488 . . . . 1.7 110.861 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 76.86 7.23 86.24 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.779 -0.724 . . . . 0.69 112.141 -179.152 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 586' ' ' GLU . . . . . 0.403 ' O ' ' HA ' ' A' ' 582' ' ' ILE . 45.2 mt-10 -103.24 126.52 50.45 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.776 0.322 . . . . 1.93 110.315 179.749 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 587' ' ' LYS . . . . . 0.444 ' HG2' HG12 ' A' ' 582' ' ' ILE . 98.3 mttt -82.8 115.16 21.58 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.382 -0.372 . . . . 2.64 110.315 179.272 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 588' ' ' LEU . . . . . . . . . . . . . 41.8 mt -90.13 123.01 33.61 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 109.408 -0.59 . . . . 1.09 109.408 174.31 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 45.9 tp -82.6 108.92 16.34 Favored 'General case' 0 C--N 1.311 -1.079 0 N-CA-C 108.633 -0.877 . . . . 1.1 108.633 174.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 590' ' ' ILE . . . . . . . . . . . . . 47.1 mt -94.44 115.32 32.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 N-CA-C 108.119 -1.067 . . . . 1.04 108.119 177.25 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 30.6 ptt180 -140.8 153.72 45.93 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.587 0.588 . . . . 3.66 112.587 -170.494 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 592' ' ' MET . . . . . 0.485 ' HG2' HG12 ' A' ' 573' ' ' VAL . 0.8 OUTLIER -73.16 126.84 30.97 Favored 'General case' 0 CA--C 1.528 0.13 0 CA-C-N 115.226 -0.897 . . . . 1.06 110.156 -172.522 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 6.6 t -89.34 131.56 35.36 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.783 0.325 . . . . 1.57 110.501 178.06 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 17.7 p -94.74 -10.64 30.97 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.254 0.549 . . . . 2.17 110.518 176.244 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -82.13 -19.96 38.98 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.514 -0.766 . . . . 3.39 111.689 -176.256 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -125.75 132.26 52.36 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.093 0.473 . . . . 1.27 110.985 -178.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 51.9 tptt -92.42 -39.43 11.44 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.23 -0.895 . . . . 3.84 110.281 178.089 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -156.76 145.27 19.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.232 -0.894 . . . . 2.02 110.162 -175.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 599' ' ' LEU . . . . . 0.443 HD13 ' HB2' ' A' ' 562' ' ' GLU . 96.7 mt . . . . . 0 C--N 1.323 -0.569 0 CA-C-O 121.118 0.485 . . . . 1.09 110.499 176.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 93.0 t . . . . . 0 N--CA 1.449 -0.503 0 CA-C-O 121.18 0.514 . . . . 1.08 109.914 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 522' ' ' VAL . . . . . . . . . . . . . 67.6 t -105.56 133.95 48.44 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.952 0 CA-C-N 115.461 -0.791 . . . . 1.07 109.366 176.297 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 523' ' ' HIS . . . . . 0.453 ' HA ' ' O ' ' A' ' 559' ' ' ALA . 1.0 OUTLIER -107.52 132.88 52.77 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.735 -0.469 . . . . 2.21 109.735 -179.55 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 524' ' ' ILE . . . . . . . . . . . . . 77.4 mt -110.28 131.46 61.28 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.857 0 CA-C-N 115.69 -0.686 . . . . 1.06 110.427 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 15.0 p -122.37 176.34 5.93 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.707 -0.679 . . . . 2.22 110.474 -178.188 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 19.5 m120 69.06 26.33 5.63 Favored 'General case' 0 N--CA 1.468 0.454 0 O-C-N 123.76 0.663 . . . . 1.74 110.621 -178.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 79.3 mt -81.36 121.16 79.88 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 115.909 -0.587 . . . . 1.09 111.056 -175.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 528' ' ' PRO . . . . . 0.538 ' HD2' ' SG ' ' A' ' 532' ' ' CYS . 36.2 Cg_endo -68.12 131.88 24.75 Favored 'Trans proline' 0 C--O 1.237 0.461 0 C-N-CA 122.287 1.992 . . . . 0.88 111.62 175.595 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -68.4 124.37 23.35 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.895 -0.593 . . . . 2.98 110.93 -177.208 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 84.03 -15.0 40.68 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 121.004 -0.617 . . . . 0.97 113.685 176.03 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 531' ' ' SER . . . . . 0.5 ' HB3' ' OD1' ' A' ' 584' ' ' ASN . 13.1 m -91.2 -35.76 14.33 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 117.324 0.562 . . . . 1.63 111.363 -176.516 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 532' ' ' CYS . . . . . 0.538 ' SG ' ' HD2' ' A' ' 528' ' ' PRO . 86.0 m -86.54 134.32 33.67 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.518 -0.31 . . . . 1.73 110.472 176.828 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 53.4 p -103.62 167.4 9.82 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.538 -0.542 . . . . 1.27 109.538 177.361 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -54.13 -46.34 72.18 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.229 0.537 . . . . 1.32 110.308 -178.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -61.14 -42.98 99.52 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.015 -0.993 . . . . 2.62 111.485 -176.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -59.79 -47.4 85.83 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 120.919 0.39 . . . . 0.52 111.59 -175.361 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 51.6 t -62.61 -40.33 87.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.805 -0.634 . . . . 1.07 110.301 -177.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 85.8 mt -66.87 -42.29 88.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.632 -0.713 . . . . 1.07 110.343 177.075 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 539' ' ' ASN . . . . . 0.674 ' O ' ' HD3' ' A' ' 543' ' ' PRO . 11.1 m120 -61.21 -29.21 69.68 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 115.614 -0.721 . . . . 1.74 111.787 -178.798 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 540' ' ' LEU . . . . . 0.466 ' CD1' HD11 ' A' ' 588' ' ' LEU . 27.7 mt -69.0 -36.03 77.36 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.281 0.474 . . . . 1.08 112.281 -176.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -79.4 -33.9 33.88 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.156 -1.021 . . . . 0.26 111.971 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 542' ' ' LEU . . . . . . . . . . . . . 84.1 mt -53.85 -36.22 38.01 Favored Pre-proline 0 CA--C 1.55 0.963 0 N-CA-C 115.702 1.742 . . . . 1.11 115.702 -174.603 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 543' ' ' PRO . . . . . 0.674 ' HD3' ' O ' ' A' ' 539' ' ' ASN . 89.2 Cg_exo -55.87 -34.1 90.57 Favored 'Trans proline' 0 C--N 1.354 0.849 0 CA-C-N 121.498 1.571 . . . . 0.22 114.587 -176.57 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 -111.72 -18.35 12.77 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 113.21 0.819 . . . . 0.42 113.21 177.127 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 545' ' ' GLY . . . . . 0.51 ' CA ' ' HB3' ' A' ' 568' ' ' ALA . . . -134.04 -164.8 10.78 Favored Glycine 0 C--O 1.225 -0.418 0 C-N-CA 120.581 -0.819 . . . . 1.14 113.391 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 546' ' ' LYS . . . . . 0.557 ' O ' ' HA ' ' A' ' 563' ' ' MET . 23.9 tptm -136.7 143.11 43.21 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 110.209 -0.293 . . . . 2.18 110.209 179.286 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 547' ' ' VAL . . . . . 0.511 ' HA ' ' O ' ' A' ' 562' ' ' GLU . 89.7 t -104.91 136.06 40.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 123.4 0.438 . . . . 1.06 111.44 -174.378 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 58.0 p -101.96 -35.26 9.04 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 121.148 0.499 . . . . 1.05 110.841 176.375 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 549' ' ' ASN . . . . . 0.444 ' N ' HD21 ' A' ' 549' ' ' ASN . 0.0 OUTLIER -165.25 168.1 17.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.815 -0.63 . . . . 1.46 109.887 175.751 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 22.3 p90 -141.17 151.1 43.57 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.842 0.354 . . . . 0.99 110.82 -175.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 32.9 mt -128.11 120.93 54.76 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 N-CA-C 108.675 -0.861 . . . . 1.19 108.675 171.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 552' ' ' LEU . . . . . . . . . . . . . 71.1 mt -111.56 110.77 21.35 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 116.029 -0.532 . . . . 1.21 111.517 -177.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 62.8 mtt -108.16 85.36 2.1 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.512 0.673 . . . . 1.46 109.715 174.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -67.68 -29.99 69.41 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.289 -0.869 . . . . 1.98 110.297 -178.335 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 67.2 p -63.68 -30.95 71.99 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.545 -0.752 . . . . 1.26 111.417 -179.455 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 71.9 p -101.78 8.67 41.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.783 0.325 . . . . 1.41 111.118 178.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 56.66 42.13 27.39 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.422 -0.808 . . . . 2.35 111.104 179.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -142.46 149.2 38.92 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.999 0.428 . . . . 2.3 110.591 -176.353 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 559' ' ' ALA . . . . . 0.453 ' O ' ' HA ' ' A' ' 523' ' ' HIS . . . -130.82 143.85 51.03 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.132 -0.486 . . . . 1.06 110.318 177.527 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 560' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 -124.59 126.15 45.32 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.994 0.426 . . . . 0.45 109.851 177.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 561' ' ' LEU . . . . . 0.415 HD21 ' HE2' ' A' ' 563' ' ' MET . 15.5 tp -123.98 127.21 47.59 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.994 -0.548 . . . . 1.06 109.884 -176.306 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 562' ' ' GLU . . . . . 0.511 ' O ' ' HA ' ' A' ' 547' ' ' VAL . 9.8 tp10 -99.78 138.32 37.03 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-O 120.654 0.264 . . . . 1.85 110.964 -174.193 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 563' ' ' MET . . . . . 0.604 ' HE3' ' SD ' ' A' ' 572' ' ' MET . 19.4 mmt -111.61 139.23 47.23 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.417 0.627 . . . . 1.16 111.535 -173.388 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -68.54 -22.34 64.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.087 -0.961 . . . . 1.13 111.44 -178.315 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -132.55 143.38 49.68 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.829 -0.804 . . . . 1.44 108.829 -179.062 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 566' ' ' THR . . . . . 0.537 ' O ' ' HG3' ' A' ' 570' ' ' GLN . 14.0 t -67.27 -37.98 84.34 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.941 -0.392 . . . . 1.18 109.941 178.497 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -66.51 -32.84 74.45 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-N 115.848 -0.615 . . . . 1.91 110.332 177.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 568' ' ' ALA . . . . . 0.51 ' HB3' ' CA ' ' A' ' 545' ' ' GLY . . . -62.21 -44.57 96.28 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.991 -0.549 . . . . 1.07 109.665 177.288 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -68.41 -46.28 70.39 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.654 -0.703 . . . . 1.06 111.546 178.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 570' ' ' GLN . . . . . 0.537 ' HG3' ' O ' ' A' ' 566' ' ' THR . 73.3 mt-30 -67.51 -46.88 71.59 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.51 -0.314 . . . . 1.35 111.258 -176.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -66.28 -39.08 89.16 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 116.424 -0.353 . . . . 1.09 111.43 -175.232 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 572' ' ' MET . . . . . 0.604 ' SD ' ' HE3' ' A' ' 563' ' ' MET . 14.7 ptp -67.59 -45.92 74.1 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 109.902 -0.407 . . . . 1.11 109.902 -179.553 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 573' ' ' VAL . . . . . 0.482 ' N ' ' HG3' ' A' ' 572' ' ' MET . 55.0 t -67.08 -37.5 79.41 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.559 0 CA-C-N 116.188 -0.46 . . . . 1.05 111.549 -177.02 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -59.29 -37.42 77.66 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.608 -0.515 . . . . 2.38 109.608 175.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 575' ' ' TYR . . . . . 0.407 ' HD2' ' CD2' ' A' ' 576' ' ' TYR . 72.6 t80 -69.1 -48.81 61.59 Favored 'General case' 0 C--O 1.216 -0.693 0 CA-C-N 115.906 -0.588 . . . . 0.99 111.276 173.779 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 576' ' ' TYR . . . . . 0.497 ' CB ' ' HB ' ' A' ' 590' ' ' ILE . 19.4 m-85 -75.93 -25.49 56.02 Favored 'General case' 0 C--O 1.222 -0.39 0 N-CA-C 112.873 0.694 . . . . 0.38 112.873 -171.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 2.4 mm100 -70.92 -26.4 63.19 Favored 'General case' 0 C--N 1.318 -0.763 0 O-C-N 121.952 -0.468 . . . . 1.86 110.361 174.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -97.41 -39.89 8.96 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.949 -0.569 . . . . 2.07 111.326 178.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -131.86 83.93 55.62 Favored Pre-proline 0 C--N 1.327 -0.41 0 N-CA-C 109.617 -0.512 . . . . 2.57 109.617 176.361 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_exo -73.24 159.74 46.51 Favored 'Trans proline' 0 CA--C 1.533 0.475 0 C-N-CA 123.5 2.8 . . . . 0.21 113.259 -173.036 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -93.68 153.86 18.13 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 115.883 -0.599 . . . . 1.02 111.35 -172.262 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 582' ' ' ILE . . . . . 0.443 HG12 ' HG2' ' A' ' 587' ' ' LYS . 64.0 mt -115.55 128.01 72.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 111.943 0.349 . . . . 1.16 111.943 -174.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 583' ' ' ILE . . . . . . . . . . . . . 48.2 mt -123.22 121.4 62.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.185 -0.461 . . . . 1.42 110.36 171.456 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 584' ' ' ASN . . . . . 0.5 ' OD1' ' HB3' ' A' ' 531' ' ' SER . 0.8 OUTLIER 59.38 34.51 22.8 Favored 'General case' 0 N--CA 1.469 0.52 0 O-C-N 123.433 0.458 . . . . 1.7 111.501 176.556 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 85.95 -0.23 87.63 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.915 -0.659 . . . . 0.69 113.156 178.192 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 36.6 mm-40 -102.2 127.28 49.21 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 110.002 -0.37 . . . . 1.93 110.002 179.513 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 587' ' ' LYS . . . . . 0.443 ' HG2' HG12 ' A' ' 582' ' ' ILE . 27.6 mtpp -85.02 107.47 17.15 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.251 -0.648 . . . . 2.64 109.251 177.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 588' ' ' LEU . . . . . 0.466 HD11 ' CD1' ' A' ' 540' ' ' LEU . 47.9 mt -88.06 130.74 34.9 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.849 -0.614 . . . . 1.09 110.584 -175.765 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 49.8 tp -83.98 109.23 17.47 Favored 'General case' 0 N--CA 1.44 -0.957 0 N-CA-C 108.863 -0.792 . . . . 1.1 108.863 173.427 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 590' ' ' ILE . . . . . 0.497 ' HB ' ' CB ' ' A' ' 576' ' ' TYR . 43.1 mt -96.88 115.08 35.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 N-CA-C 108.343 -0.984 . . . . 1.04 108.343 178.336 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 591' ' ' ARG . . . . . 0.461 ' HA ' ' CG1' ' A' ' 573' ' ' VAL . 10.3 ptm180 -145.6 164.6 31.18 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.978 0.418 . . . . 3.66 111.972 -174.274 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 592' ' ' MET . . . . . 0.41 ' HG2' HG11 ' A' ' 573' ' ' VAL . 0.8 OUTLIER -62.46 143.12 57.48 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.739 -0.664 . . . . 1.06 110.161 -174.838 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 24.6 t -87.65 126.77 35.15 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.764 0.316 . . . . 1.57 110.421 179.499 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 12.5 p -94.63 -22.41 18.18 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.242 0.544 . . . . 2.17 110.246 176.388 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 25.8 mtp180 -79.25 -40.77 29.78 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.527 -0.76 . . . . 3.39 111.017 -178.134 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -116.35 131.53 56.92 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.925 0.393 . . . . 1.27 110.519 178.588 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 597' ' ' LYS . . . . . 0.432 ' N ' ' HD3' ' A' ' 597' ' ' LYS . 0.0 OUTLIER -93.2 -27.12 17.06 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.62 -0.718 . . . . 3.84 110.104 175.788 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 598' ' ' GLU . . . . . 0.469 ' HA ' ' OE2' ' A' ' 562' ' ' GLU . 8.0 pt-20 -154.25 145.04 22.49 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.605 -0.725 . . . . 2.02 109.943 -177.775 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 599' ' ' LEU . . . . . . . . . . . . . 64.1 mt . . . . . 0 C--N 1.325 -0.498 0 CA-C-O 121.001 0.429 . . . . 1.09 110.994 178.428 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 97.7 t . . . . . 0 N--CA 1.452 -0.356 0 CA-C-O 121.404 0.621 . . . . 1.08 111.844 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 522' ' ' VAL . . . . . . . . . . . . . 85.0 t -106.15 135.65 43.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 115.008 -0.996 . . . . 1.07 109.699 173.639 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 14.0 t-160 -105.57 126.95 52.73 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.03 0.443 . . . . 2.21 110.088 -177.472 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 524' ' ' ILE . . . . . . . . . . . . . 69.3 mt -105.11 133.66 48.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.756 -0.656 . . . . 1.06 110.416 179.316 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 75.1 m -116.86 175.5 5.55 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.998 -0.546 . . . . 2.22 111.228 -177.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 12.8 m120 70.05 28.68 4.04 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 115.563 -0.744 . . . . 1.74 110.945 177.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 527' ' ' LEU . . . . . 0.419 HD22 ' SG ' ' A' ' 532' ' ' CYS . 81.2 mt -90.59 122.72 66.76 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 115.644 -0.707 . . . . 1.09 111.585 -176.495 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 528' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -68.9 136.18 34.61 Favored 'Trans proline' 0 C--O 1.235 0.362 0 C-N-CA 123.052 2.501 . . . . 0.88 112.391 175.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -63.54 124.95 22.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.365 -0.379 . . . . 2.98 111.257 -177.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 76.9 -18.25 4.07 Favored Glycine 0 CA--C 1.52 0.393 0 CA-C-N 116.207 -0.451 . . . . 0.97 114.107 174.244 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 30.5 t -88.2 -11.26 47.26 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 117.192 0.496 . . . . 1.63 110.494 -177.446 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 532' ' ' CYS . . . . . 0.419 ' SG ' HD22 ' A' ' 527' ' ' LEU . 60.8 m -85.25 137.16 33.17 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.997 -0.547 . . . . 1.73 110.483 179.083 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 35.0 p -105.96 159.49 16.0 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.59 -0.522 . . . . 1.27 109.59 177.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -63.91 -47.73 79.39 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.083 0.468 . . . . 1.32 110.249 177.467 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -64.82 -44.1 90.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.529 -0.759 . . . . 2.62 112.37 -171.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 536' ' ' ASP . . . . . 0.493 ' O ' ' HG ' ' A' ' 540' ' ' LEU . 24.8 m-20 -65.5 -45.62 82.86 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.662 -0.415 . . . . 0.52 111.25 -175.567 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 95.3 t -62.72 -41.79 93.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.276 -0.42 . . . . 1.07 110.892 -178.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 98.9 mt -66.94 -45.96 86.06 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 CA-C-N 116.363 -0.381 . . . . 1.07 110.869 178.526 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 539' ' ' ASN . . . . . 0.58 ' O ' ' HD3' ' A' ' 543' ' ' PRO . 24.3 m-80 -62.98 -26.34 68.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.059 -0.518 . . . . 1.74 112.267 179.192 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 540' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' ' 536' ' ' ASP . 22.2 mt -66.78 -36.73 83.1 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 111.799 0.296 . . . . 1.08 111.799 176.714 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -77.58 -42.1 18.52 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.219 -0.991 . . . . 0.26 112.247 -179.398 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 542' ' ' LEU . . . . . 0.531 ' HA ' ' O ' ' A' ' 545' ' ' GLY . 60.4 mt -47.62 -40.65 30.87 Favored Pre-proline 0 CA--C 1.551 1.002 0 N-CA-C 115.815 1.783 . . . . 1.11 115.815 -173.234 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 543' ' ' PRO . . . . . 0.58 ' HD3' ' O ' ' A' ' 539' ' ' ASN . 67.6 Cg_exo -50.21 -35.65 43.79 Favored 'Trans proline' 0 C--N 1.359 1.13 0 C-N-CA 122.035 1.823 . . . . 0.22 115.611 -173.857 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -112.13 -19.39 12.3 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.0 -0.68 . . . . 0.42 112.684 177.484 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 545' ' ' GLY . . . . . 0.55 ' CA ' ' HB2' ' A' ' 568' ' ' ALA . . . -144.87 136.41 6.6 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.447 -0.882 . . . . 1.14 113.369 177.316 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 546' ' ' LYS . . . . . 0.426 ' O ' ' HA ' ' A' ' 563' ' ' MET . 43.5 tttp -72.16 141.99 49.08 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.896 0.379 . . . . 2.18 111.033 -179.001 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 95.5 t -100.71 136.3 32.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.646 -0.707 . . . . 1.06 110.477 -178.6 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 39.6 p -107.06 -38.5 6.0 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.664 -0.698 . . . . 1.05 111.382 179.4 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -155.16 167.06 31.61 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.061 -0.518 . . . . 1.46 110.266 -178.022 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 54.1 p90 -144.97 151.05 38.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.999 0.428 . . . . 0.99 111.711 179.526 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 46.2 mt -127.34 120.72 55.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 108.072 -1.084 . . . . 1.19 108.072 167.269 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 552' ' ' LEU . . . . . . . . . . . . . 83.3 mt -113.98 111.22 21.32 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 116.483 -0.326 . . . . 1.21 111.338 -176.555 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 64.9 mtt -108.01 82.59 1.66 Allowed 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.768 -0.827 . . . . 1.46 108.768 173.558 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -70.01 -32.87 71.27 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.396 -0.82 . . . . 1.98 111.207 -174.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 65.5 p -68.8 -27.31 65.75 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.005 -0.543 . . . . 1.26 111.766 -178.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 556' ' ' THR . . . . . 0.449 ' O ' ' HG3' ' A' ' 558' ' ' GLN . 78.1 p -103.96 12.45 34.23 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.735 0.302 . . . . 1.41 111.049 -178.681 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 16.5 m120 58.68 42.72 19.9 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 115.688 -0.687 . . . . 2.35 111.928 179.066 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 558' ' ' GLN . . . . . 0.449 ' HG3' ' O ' ' A' ' 556' ' ' THR . 46.1 mt-30 -139.47 148.12 42.28 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.089 0.471 . . . . 2.3 111.386 -176.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -140.72 142.91 34.78 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.699 -0.482 . . . . 1.06 109.699 172.397 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 560' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 -127.32 125.3 40.57 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 108.8 -0.815 . . . . 0.45 108.8 177.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 561' ' ' LEU . . . . . 0.45 ' HB3' ' HE2' ' A' ' 563' ' ' MET . 15.0 tp -122.21 135.7 54.8 Favored 'General case' 0 C--N 1.313 -0.996 0 N-CA-C 109.218 -0.66 . . . . 1.06 109.218 -173.71 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 562' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -100.22 127.73 46.43 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.989 0.423 . . . . 1.85 110.608 -176.272 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 563' ' ' MET . . . . . 0.74 ' HG2' ' SD ' ' A' ' 572' ' ' MET . 0.6 OUTLIER -104.94 134.24 48.39 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.488 -0.778 . . . . 1.16 110.429 -179.492 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -63.78 -31.97 73.32 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.045 -0.979 . . . . 1.13 111.998 -174.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -124.56 133.86 53.16 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.107 -0.497 . . . . 1.44 109.777 -171.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 3.7 t -61.61 -37.48 84.1 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.833 -0.621 . . . . 1.18 110.646 178.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -66.95 -33.93 76.65 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-O 120.92 0.391 . . . . 1.91 110.137 176.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 568' ' ' ALA . . . . . 0.55 ' HB2' ' CA ' ' A' ' 545' ' ' GLY . . . -65.35 -46.65 79.38 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.77 -0.65 . . . . 1.07 109.994 178.009 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 569' ' ' ALA . . . . . 0.815 ' HA ' ' SD ' ' A' ' 572' ' ' MET . . . -67.0 -45.7 76.78 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.602 -0.726 . . . . 1.06 111.747 -176.705 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 570' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -68.1 -43.85 77.54 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.186 -0.461 . . . . 1.35 111.141 -176.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -69.05 -43.28 74.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.4 -0.364 . . . . 1.09 111.818 -177.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 572' ' ' MET . . . . . 0.815 ' SD ' ' HA ' ' A' ' 569' ' ' ALA . 6.7 ptm -59.73 -44.56 93.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.953 0.406 . . . . 1.11 110.517 -176.108 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 573' ' ' VAL . . . . . . . . . . . . . 61.0 t -66.97 -36.36 76.96 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.698 0 CA-C-N 115.976 -0.557 . . . . 1.05 111.008 -178.386 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -59.36 -36.74 76.3 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.887 -0.325 . . . . 2.38 110.213 177.078 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 79.2 t80 -68.02 -49.72 59.76 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.307 -0.406 . . . . 0.99 110.921 172.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 576' ' ' TYR . . . . . 0.403 ' CB ' ' HB ' ' A' ' 590' ' ' ILE . 24.5 m-85 -73.64 -16.3 61.23 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.537 0.569 . . . . 0.38 112.537 -173.772 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 80.9 mm-40 -79.47 -27.0 41.56 Favored 'General case' 0 C--N 1.317 -0.837 0 O-C-N 122.134 -0.354 . . . . 1.86 110.859 174.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -97.06 -39.73 9.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.244 0.545 . . . . 2.07 111.065 177.172 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -130.36 80.22 70.9 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 115.633 -0.712 . . . . 2.57 109.486 177.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 14.4 Cg_exo -70.92 159.09 53.64 Favored 'Trans proline' 0 C--O 1.233 0.259 0 C-N-CA 123.555 2.837 . . . . 0.21 113.255 -172.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 581' ' ' ALA . . . . . 0.434 ' HB2' HD22 ' A' ' 540' ' ' LEU . . . -93.93 154.48 17.67 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.616 -0.72 . . . . 1.02 110.819 -174.849 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 64.5 mt -119.86 137.52 53.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 112.02 0.378 . . . . 1.16 112.02 -171.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 583' ' ' ILE . . . . . 0.446 ' CD1' ' HB3' ' A' ' 536' ' ' ASP . 29.4 mm -121.97 117.77 53.44 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.216 0 CA-C-N 116.223 -0.444 . . . . 1.42 110.309 172.153 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 57.4 37.24 27.85 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 120.795 0.331 . . . . 1.7 111.515 175.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 84.07 0.73 89.68 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.517 -0.849 . . . . 0.69 112.818 179.547 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -101.03 126.11 47.69 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.591 -0.522 . . . . 1.93 109.591 179.29 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 27.3 mtpp -83.29 107.47 15.84 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.128 0.49 . . . . 2.64 110.228 -177.563 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 588' ' ' LEU . . . . . 0.429 HD13 ' CG1' ' A' ' 583' ' ' ILE . 31.8 mt -84.29 139.46 32.3 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.702 -0.681 . . . . 1.09 110.611 -176.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 31.3 tp -95.36 110.08 22.15 Favored 'General case' 0 C--N 1.31 -1.12 0 N-CA-C 108.692 -0.855 . . . . 1.1 108.692 171.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 590' ' ' ILE . . . . . 0.403 ' HB ' ' CB ' ' A' ' 576' ' ' TYR . 38.0 mt -95.96 115.26 34.69 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 N-CA-C 108.139 -1.06 . . . . 1.04 108.139 178.186 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -135.53 160.25 39.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.018 0.437 . . . . 3.66 111.786 -170.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 592' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -64.47 126.76 28.85 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.128 -0.693 . . . . 1.06 109.128 177.611 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 32.9 t -75.04 127.0 32.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.074 0.464 . . . . 1.57 111.062 -174.094 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 13.3 t -98.53 4.05 48.18 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.68 -0.691 . . . . 2.17 109.671 175.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 35.2 mmt180 -103.78 -39.36 6.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.834 -0.621 . . . . 3.39 110.873 -177.379 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 65.2 m-85 -124.8 135.4 52.91 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.342 -0.39 . . . . 1.27 110.695 -177.161 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -89.85 -41.43 11.82 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.231 -0.655 . . . . 3.84 109.231 172.38 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -143.45 155.59 44.41 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.049 -0.978 . . . . 2.02 109.218 176.487 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 599' ' ' LEU . . . . . . . . . . . . . 93.4 mt . . . . . 0 C--N 1.321 -0.662 0 CA-C-O 121.11 0.481 . . . . 1.09 110.548 -179.196 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 521' ' ' VAL . . . . . 0.421 ' HB ' ' O ' ' A' ' 596' ' ' TYR . 78.3 t . . . . . 0 N--CA 1.451 -0.382 0 CA-C-O 121.21 0.529 . . . . 1.08 110.814 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 522' ' ' VAL . . . . . . . . . . . . . 49.4 t -101.96 135.42 38.88 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-N 115.447 -0.797 . . . . 1.07 109.495 175.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 20.3 t-80 -105.35 116.67 32.34 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.048 0.451 . . . . 2.21 110.544 -176.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 524' ' ' ILE . . . . . . . . . . . . . 73.6 mt -108.64 123.73 64.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 115.483 -0.78 . . . . 1.06 109.773 177.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 525' ' ' CYS . . . . . 0.407 ' SG ' ' HG2' ' A' ' 558' ' ' GLN . 23.7 t -121.22 176.32 5.67 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.207 -0.451 . . . . 2.22 110.075 -177.611 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 68.1 30.81 5.7 Favored 'General case' 0 C--N 1.331 -0.229 0 O-C-N 123.775 0.672 . . . . 1.74 110.599 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 87.4 mt -86.34 120.24 72.07 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 116.086 -0.506 . . . . 1.09 110.763 -178.306 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 528' ' ' PRO . . . . . 0.542 ' HD2' ' SG ' ' A' ' 532' ' ' CYS . 37.3 Cg_endo -69.74 130.45 19.39 Favored 'Trans proline' 0 C--O 1.237 0.453 0 C-N-CA 122.019 1.813 . . . . 0.88 111.766 175.344 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.57 139.34 53.7 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.178 -0.465 . . . . 2.98 110.797 177.799 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 82.17 -18.7 12.41 Favored Glycine 0 N--CA 1.449 -0.462 0 CA-C-N 115.795 -0.639 . . . . 0.97 113.262 177.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 531' ' ' SER . . . . . 0.45 ' HB3' HD21 ' A' ' 584' ' ' ASN . 17.2 m -99.6 -38.32 8.79 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 117.181 0.49 . . . . 1.63 110.676 179.038 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 532' ' ' CYS . . . . . 0.542 ' SG ' ' HD2' ' A' ' 528' ' ' PRO . 71.6 m -89.17 126.26 35.4 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.283 -0.417 . . . . 1.73 110.556 174.427 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 39.2 p -105.9 170.88 7.65 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.702 -0.481 . . . . 1.27 109.702 176.367 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 534' ' ' GLU . . . . . 0.506 ' HG2' ' CD1' ' A' ' 552' ' ' LEU . 34.1 mt-10 -53.07 -46.38 68.56 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.096 0.474 . . . . 1.32 110.468 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -62.98 -42.65 99.9 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.176 -0.92 . . . . 2.62 111.986 -174.337 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 536' ' ' ASP . . . . . 0.555 ' O ' ' HG ' ' A' ' 540' ' ' LEU . 48.2 m-20 -59.65 -46.06 90.15 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 120.845 0.355 . . . . 0.52 111.126 -175.411 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 60.7 t -61.89 -42.78 95.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.812 -0.631 . . . . 1.07 110.183 -178.18 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 538' ' ' ILE . . . . . 0.43 ' O ' ' HG ' ' A' ' 542' ' ' LEU . 85.1 mt -66.1 -45.63 89.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.758 -0.655 . . . . 1.07 110.588 178.119 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -61.23 -28.37 69.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.611 -0.722 . . . . 1.74 111.85 -178.072 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 540' ' ' LEU . . . . . 0.555 ' HG ' ' O ' ' A' ' 536' ' ' ASP . 52.9 mt -73.84 -33.38 64.09 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 111.612 0.227 . . . . 1.08 111.612 179.125 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -78.9 -40.4 17.34 Favored Glycine 0 N--CA 1.453 -0.173 0 C-N-CA 120.366 -0.921 . . . . 0.26 112.565 -177.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 542' ' ' LEU . . . . . 0.547 ' HA ' ' O ' ' A' ' 545' ' ' GLY . 87.7 mt -47.65 -46.29 60.5 Favored Pre-proline 0 CA--C 1.546 0.81 0 N-CA-C 114.706 1.372 . . . . 1.11 114.706 -174.504 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -46.9 -34.48 16.33 Favored 'Trans proline' 0 C--N 1.361 1.186 0 C-N-CA 122.612 2.208 . . . . 0.22 115.59 -172.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 544' ' ' PHE . . . . . 0.488 ' HB2' ' CB ' ' A' ' 572' ' ' MET . 74.1 m-85 -111.83 -18.15 12.77 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.158 -0.617 . . . . 0.42 112.633 175.141 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 545' ' ' GLY . . . . . 0.547 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . -150.45 133.98 4.57 Favored Glycine 0 C--O 1.225 -0.435 0 C-N-CA 120.65 -0.786 . . . . 1.14 113.243 179.02 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -70.56 137.97 50.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.976 0.417 . . . . 2.18 111.386 179.376 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 91.1 t -94.69 136.27 26.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.276 -0.875 . . . . 1.06 110.89 -177.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 33.6 p -104.99 -42.06 5.43 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.043 -0.526 . . . . 1.05 112.133 178.181 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 67.6 m-80 -149.48 165.79 31.09 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.699 -0.482 . . . . 1.46 109.699 -177.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 33.3 p90 -148.96 149.48 31.25 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.11 0.481 . . . . 0.99 111.082 178.427 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 15.7 mt -128.96 124.54 61.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 109.021 -0.733 . . . . 1.19 109.021 173.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 552' ' ' LEU . . . . . 0.506 ' CD1' ' HG2' ' A' ' 534' ' ' GLU . 85.1 mt -110.32 111.01 22.03 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 116.283 -0.417 . . . . 1.21 111.245 -176.282 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 65.1 mtt -107.58 84.31 1.94 Allowed 'General case' 0 N--CA 1.446 -0.64 0 CA-C-O 121.876 0.846 . . . . 1.46 108.741 173.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 30.1 mmtp -67.79 -29.2 68.33 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.488 -1.233 . . . . 1.98 110.508 -176.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 66.0 p -55.41 -32.46 62.68 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.519 -0.764 . . . . 1.26 111.049 176.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 556' ' ' THR . . . . . 0.499 ' O ' ' HG3' ' A' ' 558' ' ' GLN . 71.2 p -104.83 4.41 32.12 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.332 -0.394 . . . . 1.41 111.307 -179.313 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 18.2 m120 57.11 41.31 27.48 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 115.492 -0.776 . . . . 2.35 111.147 -176.136 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 558' ' ' GLN . . . . . 0.499 ' HG3' ' O ' ' A' ' 556' ' ' THR . 75.2 mt-30 -139.48 149.88 44.5 Favored 'General case' 0 N--CA 1.443 -0.819 0 CA-C-O 121.122 0.486 . . . . 2.3 111.184 -175.026 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -130.68 145.94 52.04 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.732 -0.667 . . . . 1.06 110.534 178.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 560' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 -116.45 125.25 51.72 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 109.037 -0.727 . . . . 0.45 109.037 175.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 561' ' ' LEU . . . . . 0.423 HD23 ' HE1' ' A' ' 563' ' ' MET . 14.8 tp -122.55 121.76 37.28 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 116.226 -0.443 . . . . 1.06 109.877 -173.315 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 562' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -99.64 137.82 37.59 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.732 0.301 . . . . 1.85 110.624 -174.605 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 563' ' ' MET . . . . . 0.696 ' HE2' ' SD ' ' A' ' 572' ' ' MET . 17.5 mmt -113.75 145.02 42.0 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.929 -0.578 . . . . 1.16 111.266 -174.436 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -64.78 -21.57 66.8 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.029 -0.987 . . . . 1.13 112.179 -176.159 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -134.23 145.03 48.78 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.057 -0.519 . . . . 1.44 110.371 -176.559 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 5.9 t -63.11 -36.99 85.45 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.458 -0.792 . . . . 1.18 109.988 174.441 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -66.87 -37.49 84.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.085 -0.507 . . . . 1.91 111.021 175.608 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 568' ' ' ALA . . . . . 0.523 ' HB2' ' CA ' ' A' ' 545' ' ' GLY . . . -61.8 -46.09 91.03 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.063 -0.517 . . . . 1.07 110.404 -177.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -67.98 -45.81 73.11 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.627 -0.715 . . . . 1.06 111.56 -179.446 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 570' ' ' GLN . . . . . 0.492 ' O ' ' HG2' ' A' ' 574' ' ' GLN . 49.9 mt-30 -68.16 -45.84 72.41 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.476 -0.329 . . . . 1.35 111.541 -177.19 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -62.34 -42.96 99.81 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.66 -0.246 . . . . 1.09 111.223 -176.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 572' ' ' MET . . . . . 0.696 ' SD ' ' HE2' ' A' ' 563' ' ' MET . 14.4 ptp -64.49 -45.15 88.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.39 -0.368 . . . . 1.11 110.23 -179.577 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 573' ' ' VAL . . . . . 0.523 ' CG1' ' HA ' ' A' ' 591' ' ' ARG . 61.6 t -66.91 -37.82 80.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 116.108 -0.497 . . . . 1.05 111.555 -176.816 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 574' ' ' GLN . . . . . 0.492 ' HG2' ' O ' ' A' ' 570' ' ' GLN . 83.4 mm-40 -59.44 -37.17 77.43 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.606 -0.516 . . . . 2.38 109.606 177.569 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 59.3 t80 -69.41 -50.14 48.7 Favored 'General case' 0 C--O 1.219 -0.521 0 CA-C-N 116.113 -0.494 . . . . 0.99 111.041 173.654 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 576' ' ' TYR . . . . . 0.445 ' CB ' ' HB ' ' A' ' 590' ' ' ILE . 19.8 m-85 -74.26 -16.76 60.94 Favored 'General case' 0 C--O 1.222 -0.378 0 N-CA-C 113.001 0.741 . . . . 0.38 113.001 -171.762 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 90.8 mt-30 -75.79 -28.92 58.57 Favored 'General case' 0 C--N 1.317 -0.822 0 C-N-CA 120.042 -0.663 . . . . 1.86 110.756 173.629 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -97.62 -38.31 9.58 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.041 0.448 . . . . 2.07 111.236 177.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 26.8 mmmt -129.47 81.46 69.9 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-O 121.265 0.555 . . . . 2.57 110.167 174.453 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -69.71 159.4 53.58 Favored 'Trans proline' 0 C--O 1.235 0.341 0 C-N-CA 123.532 2.822 . . . . 0.21 112.632 -176.228 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -92.76 147.6 22.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.972 -0.558 . . . . 1.02 110.553 -175.608 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 582' ' ' ILE . . . . . 0.417 HG12 ' HG2' ' A' ' 587' ' ' LYS . 54.3 mt -116.19 131.76 67.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 116.115 -0.493 . . . . 1.16 111.556 -170.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 583' ' ' ILE . . . . . . . . . . . . . 47.5 mt -121.23 117.33 52.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.149 -0.478 . . . . 1.42 110.131 172.482 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 584' ' ' ASN . . . . . 0.45 HD21 ' HB3' ' A' ' 531' ' ' SER . 93.7 m-20 54.98 42.27 31.19 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.864 -0.607 . . . . 1.7 111.798 176.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 84.86 -2.64 88.09 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.708 -0.758 . . . . 0.69 113.205 176.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 -101.13 125.64 47.76 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.698 -0.482 . . . . 1.93 109.698 179.361 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 587' ' ' LYS . . . . . 0.417 ' HG2' HG12 ' A' ' 582' ' ' ILE . 53.3 mtpt -86.48 110.13 19.55 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.779 -0.452 . . . . 2.64 109.779 179.534 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 588' ' ' LEU . . . . . 0.416 HD11 ' CD1' ' A' ' 540' ' ' LEU . 41.0 mt -84.9 125.44 32.64 Favored 'General case' 0 CA--C 1.504 -0.812 0 N-CA-C 109.706 -0.479 . . . . 1.09 109.706 179.579 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 55.8 tp -82.33 107.86 15.32 Favored 'General case' 0 N--CA 1.434 -1.24 0 N-CA-C 107.768 -1.197 . . . . 1.1 107.768 172.087 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 590' ' ' ILE . . . . . 0.445 ' HB ' ' CB ' ' A' ' 576' ' ' TYR . 64.9 mt -95.42 115.07 33.45 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.908 0 N-CA-C 108.081 -1.081 . . . . 1.04 108.081 179.018 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 591' ' ' ARG . . . . . 0.523 ' HA ' ' CG1' ' A' ' 573' ' ' VAL . 14.8 ptt180 -141.95 162.24 35.98 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.022 0.439 . . . . 3.66 112.029 -171.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 592' ' ' MET . . . . . 0.447 ' HG2' HG12 ' A' ' 573' ' ' VAL . 0.1 OUTLIER -65.93 132.84 49.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.72 -0.673 . . . . 1.06 110.283 -176.804 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 32.1 t -80.93 127.11 32.2 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.022 0.439 . . . . 1.57 110.55 -178.427 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 8.8 t -97.63 5.7 49.03 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.53 0.681 . . . . 2.17 109.547 174.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 92.0 mtt180 -96.63 -41.15 8.66 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.639 -0.709 . . . . 3.39 110.165 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 596' ' ' TYR . . . . . 0.421 ' O ' ' HB ' ' A' ' 521' ' ' VAL . 33.4 m-85 -131.93 134.47 45.69 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.078 -0.51 . . . . 1.27 110.304 179.601 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -90.54 -27.21 19.32 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.355 -0.609 . . . . 3.84 109.355 172.293 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -149.44 150.92 33.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.385 -0.825 . . . . 2.02 109.893 177.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 599' ' ' LEU . . . . . . . . . . . . . 96.1 mt . . . . . 0 C--N 1.322 -0.624 0 CA-C-N 116.096 -0.502 . . . . 1.09 109.877 179.755 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 94.7 t . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 121.375 0.607 . . . . 1.08 111.086 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 522' ' ' VAL . . . . . . . . . . . . . 96.8 t -106.85 134.72 47.68 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 CA-C-N 115.352 -0.84 . . . . 1.07 109.452 174.279 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 523' ' ' HIS . . . . . 0.499 ' HA ' ' O ' ' A' ' 559' ' ' ALA . 5.8 p-80 -110.14 134.26 52.38 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.259 0.552 . . . . 2.21 110.101 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 524' ' ' ILE . . . . . 0.404 HD11 HG12 ' A' ' 537' ' ' VAL . 97.2 mt -111.06 137.05 45.18 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-N 115.59 -0.732 . . . . 1.06 110.779 -176.154 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 62.3 m -117.8 175.13 5.8 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.016 -0.538 . . . . 2.22 111.234 -175.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 17.5 m120 68.87 26.29 5.92 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.31 -0.859 . . . . 1.74 111.098 176.55 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 79.2 mt -87.9 119.42 70.49 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 116.152 -0.476 . . . . 1.09 111.423 -176.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 528' ' ' PRO . . . . . 0.522 ' HD2' ' SG ' ' A' ' 532' ' ' CYS . 36.7 Cg_endo -69.69 130.09 18.8 Favored 'Trans proline' 0 N--CA 1.46 -0.499 0 C-N-CA 121.7 1.6 . . . . 0.88 111.453 172.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -69.71 139.17 53.38 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.172 -0.467 . . . . 2.98 111.031 177.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 80.47 -17.95 9.5 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 121.019 -0.61 . . . . 0.97 113.647 175.392 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 14.0 t -98.72 -34.23 10.61 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.936 0.398 . . . . 1.63 110.698 -178.139 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 532' ' ' CYS . . . . . 0.522 ' SG ' ' HD2' ' A' ' 528' ' ' PRO . 59.3 m -80.35 142.09 34.78 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.35 -0.386 . . . . 1.73 110.217 178.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 52.7 p -105.42 165.91 10.8 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.862 -0.422 . . . . 1.27 109.862 176.544 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -62.93 -36.89 84.9 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.066 0.46 . . . . 1.32 109.785 177.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -62.33 -44.13 97.22 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.472 -0.786 . . . . 2.62 111.865 179.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 536' ' ' ASP . . . . . 0.523 ' O ' ' HG ' ' A' ' 540' ' ' LEU . 65.2 m-20 -61.53 -48.08 82.67 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 120.773 0.321 . . . . 0.52 111.489 -173.534 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 537' ' ' VAL . . . . . 0.404 HG12 HD11 ' A' ' 524' ' ' ILE . 86.1 t -65.0 -42.14 93.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.992 -0.549 . . . . 1.07 110.967 -176.047 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 83.2 mt -66.17 -43.75 91.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 121.23 0.538 . . . . 1.07 110.123 177.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 539' ' ' ASN . . . . . 0.452 ' O ' ' HD3' ' A' ' 543' ' ' PRO . 76.4 m-20 -62.71 -26.14 68.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.485 -0.779 . . . . 1.74 112.11 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 540' ' ' LEU . . . . . 0.523 ' HG ' ' O ' ' A' ' 536' ' ' ASP . 29.8 mt -69.91 -39.55 76.12 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.902 -0.319 . . . . 1.08 111.655 177.039 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -77.14 -41.14 22.74 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.306 -0.949 . . . . 0.26 112.449 -177.128 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 542' ' ' LEU . . . . . 0.46 ' HA ' ' O ' ' A' ' 545' ' ' GLY . 69.4 mt -48.36 -44.5 64.33 Favored Pre-proline 0 CA--C 1.549 0.906 0 N-CA-C 115.114 1.524 . . . . 1.11 115.114 -173.443 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 543' ' ' PRO . . . . . 0.452 ' HD3' ' O ' ' A' ' 539' ' ' ASN . 75.8 Cg_exo -51.16 -34.47 48.24 Favored 'Trans proline' 0 C--N 1.359 1.103 0 C-N-CA 122.558 2.172 . . . . 0.22 115.77 -173.017 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 544' ' ' PHE . . . . . 0.464 ' HB2' ' CB ' ' A' ' 572' ' ' MET . 96.1 m-85 -111.1 -18.41 13.02 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.038 -0.665 . . . . 0.42 112.379 177.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 545' ' ' GLY . . . . . 0.501 ' CA ' ' HB1' ' A' ' 568' ' ' ALA . . . -148.81 136.99 6.1 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.779 -0.724 . . . . 1.14 112.952 178.032 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 23.6 tptm -69.09 143.36 54.22 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.744 0.307 . . . . 2.18 111.143 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 88.9 t -105.07 135.22 44.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.83 -0.623 . . . . 1.06 110.907 -179.102 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 28.4 p -104.69 -40.24 6.06 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.982 -0.554 . . . . 1.05 112.046 178.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 67.6 m-80 -150.1 167.06 27.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.379 -0.373 . . . . 1.46 110.144 -178.064 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 38.9 p90 -148.82 150.48 33.1 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.883 0.373 . . . . 0.99 111.152 179.4 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 29.2 mt -134.24 121.49 37.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 108.596 -0.89 . . . . 1.19 108.596 170.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 552' ' ' LEU . . . . . . . . . . . . . 83.0 mt -112.55 110.07 20.01 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 116.332 -0.395 . . . . 1.21 111.608 -174.413 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 63.8 mtt -109.72 82.41 1.59 Allowed 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.891 -0.781 . . . . 1.46 108.891 171.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 40.2 mttp -69.69 -30.69 68.4 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.425 -0.807 . . . . 1.98 110.903 -171.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 64.5 p -65.21 -22.57 66.91 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.796 -0.638 . . . . 1.26 111.602 -179.223 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 66.4 p -99.48 9.97 42.25 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 111.802 0.297 . . . . 1.41 111.802 178.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 56.87 41.79 27.41 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 121.507 0.67 . . . . 2.35 110.19 -178.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 21.4 mm-40 -146.69 149.37 33.32 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.91 -0.586 . . . . 2.3 110.425 -175.31 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 559' ' ' ALA . . . . . 0.499 ' O ' ' HA ' ' A' ' 523' ' ' HIS . . . -139.39 143.93 37.92 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 116.175 -0.466 . . . . 1.06 109.95 174.237 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 560' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -118.5 125.79 50.63 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 109.468 -0.567 . . . . 0.45 109.468 178.251 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 15.8 tp -125.75 131.21 52.56 Favored 'General case' 0 C--N 1.314 -0.952 0 N-CA-C 109.322 -0.621 . . . . 1.06 109.322 -175.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 562' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -100.48 134.08 43.96 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.887 0.375 . . . . 1.85 110.453 -176.519 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 563' ' ' MET . . . . . 0.788 ' HE2' ' SD ' ' A' ' 572' ' ' MET . 1.1 mpt? -109.55 139.61 44.35 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 121.505 0.669 . . . . 1.16 110.95 -177.829 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -60.97 -41.18 95.88 Favored 'General case' 0 C--O 1.22 -0.458 0 CA-C-N 114.139 -1.391 . . . . 1.13 111.93 -175.208 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 66.1 m-85 -115.22 147.13 40.73 Favored 'General case' 0 C--N 1.317 -0.827 0 C-N-CA 120.818 -0.353 . . . . 1.44 110.478 -175.706 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 6.2 t -58.39 -39.23 79.09 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.872 -0.604 . . . . 1.18 110.636 176.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -67.54 -33.61 75.4 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-N 116.091 -0.504 . . . . 1.91 111.198 177.172 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 568' ' ' ALA . . . . . 0.501 ' HB1' ' CA ' ' A' ' 545' ' ' GLY . . . -62.17 -46.05 90.68 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.206 -0.452 . . . . 1.07 110.764 -175.503 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 569' ' ' ALA . . . . . 0.422 ' HB1' ' HB2' ' A' ' 563' ' ' MET . . . -68.31 -47.23 68.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 1.06 111.584 -178.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 570' ' ' GLN . . . . . 0.565 ' O ' ' HG2' ' A' ' 574' ' ' GLN . 48.7 mt-30 -69.35 -45.65 68.91 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.139 -0.482 . . . . 1.35 111.588 -175.127 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -62.25 -44.14 97.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.341 -0.39 . . . . 1.09 111.431 -176.406 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 572' ' ' MET . . . . . 0.788 ' SD ' ' HE2' ' A' ' 563' ' ' MET . 14.0 ptp -63.37 -44.46 94.73 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.848 0.356 . . . . 1.11 110.463 -178.454 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 573' ' ' VAL . . . . . 0.481 ' CG1' ' HA ' ' A' ' 591' ' ' ARG . 70.0 t -67.27 -37.61 79.42 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.58 0 CA-C-N 116.313 -0.403 . . . . 1.05 111.762 -175.601 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 574' ' ' GLN . . . . . 0.565 ' HG2' ' O ' ' A' ' 570' ' ' GLN . 23.8 mm-40 -60.21 -35.84 76.32 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.401 -0.592 . . . . 2.38 109.401 178.02 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -67.7 -50.04 59.58 Favored 'General case' 0 C--O 1.217 -0.638 0 CA-C-N 115.736 -0.666 . . . . 0.99 110.607 172.421 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 576' ' ' TYR . . . . . 0.485 ' CB ' ' HB ' ' A' ' 590' ' ' ILE . 29.7 m-85 -74.14 -16.56 61.0 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 113.038 0.755 . . . . 0.38 113.038 -173.146 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 577' ' ' GLN . . . . . 0.467 ' NE2' ' HB3' ' A' ' 591' ' ' ARG . 25.5 mm-40 -75.3 -30.3 60.33 Favored 'General case' 0 C--N 1.317 -0.806 0 O-C-N 121.905 -0.497 . . . . 1.86 110.546 174.74 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 -97.83 -39.31 9.08 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.117 0.484 . . . . 2.07 110.731 178.013 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 26.6 mtpp -128.65 82.47 68.59 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 115.674 -0.693 . . . . 2.57 109.932 176.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -70.49 160.16 50.45 Favored 'Trans proline' 0 CA--C 1.532 0.39 0 C-N-CA 123.599 2.866 . . . . 0.21 112.696 -176.178 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -92.51 153.27 19.18 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.203 -0.453 . . . . 1.02 110.803 -173.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 67.2 mt -112.67 127.84 69.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 112.648 0.61 . . . . 1.16 112.648 -170.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 583' ' ' ILE . . . . . 0.437 HD11 HD12 ' A' ' 588' ' ' LEU . 17.9 mt -123.64 129.68 74.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.552 -0.749 . . . . 1.42 110.303 171.154 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 13.8 m120 59.11 33.84 23.05 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 116.032 -0.531 . . . . 1.7 111.093 177.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 76.82 8.83 86.65 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.885 -0.674 . . . . 0.69 112.906 179.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -117.36 130.87 56.79 Favored 'General case' 0 N--CA 1.441 -0.881 0 CA-C-O 120.859 0.362 . . . . 1.93 110.682 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -75.62 119.82 20.18 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.058 -0.519 . . . . 2.64 110.54 178.644 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 588' ' ' LEU . . . . . 0.437 HD12 HD11 ' A' ' 583' ' ' ILE . 52.6 mt -93.72 135.63 34.83 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.992 -0.549 . . . . 1.09 110.004 178.391 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 28.3 tp -84.73 108.91 17.67 Favored 'General case' 0 C--N 1.313 -1.006 0 N-CA-C 109.126 -0.694 . . . . 1.1 109.126 175.623 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 590' ' ' ILE . . . . . 0.485 ' HB ' ' CB ' ' A' ' 576' ' ' TYR . 44.5 mt -97.56 115.97 38.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 108.444 -0.947 . . . . 1.04 108.444 179.092 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 591' ' ' ARG . . . . . 0.481 ' HA ' ' CG1' ' A' ' 573' ' ' VAL . 20.1 ptt180 -140.89 160.36 40.23 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.862 0.69 . . . . 3.66 112.862 -172.823 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 592' ' ' MET . . . . . 0.448 ' HG2' HG13 ' A' ' 573' ' ' VAL . 0.1 OUTLIER -63.39 135.03 56.7 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.399 -0.818 . . . . 1.06 110.384 -175.275 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 593' ' ' SER . . . . . 0.419 ' HA ' ' HD1' ' A' ' 523' ' ' HIS . 15.7 t -88.25 128.39 35.47 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.92 0.39 . . . . 1.57 110.568 178.039 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 7.1 m -98.63 -20.94 16.71 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.895 -0.593 . . . . 2.17 109.701 175.191 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -74.45 -34.39 63.17 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 115.533 -0.758 . . . . 3.39 111.121 -177.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -120.49 134.1 55.32 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.992 0.425 . . . . 1.27 110.714 176.506 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -90.5 -39.87 12.33 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.75 -0.659 . . . . 3.84 109.309 173.577 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -147.44 149.86 33.52 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.031 -0.986 . . . . 2.02 109.21 178.705 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 599' ' ' LEU . . . . . . . . . . . . . 94.0 mt . . . . . 0 C--N 1.321 -0.637 0 CA-C-O 121.26 0.553 . . . . 1.09 110.334 179.677 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 76.6 t . . . . . 0 N--CA 1.447 -0.591 0 CA-C-O 121.026 0.441 . . . . 1.08 110.056 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 522' ' ' VAL . . . . . 0.417 HG22 ' HE3' ' A' ' 592' ' ' MET . 48.1 t -101.61 134.05 43.19 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.047 0 N-CA-C 109.136 -0.69 . . . . 1.07 109.136 177.138 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 3.7 p-80 -111.26 139.58 46.53 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 120.545 -0.462 . . . . 2.21 109.801 -178.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 524' ' ' ILE . . . . . 0.415 HD11 HG12 ' A' ' 537' ' ' VAL . 90.2 mt -115.59 127.84 73.03 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.976 0 CA-C-N 115.775 -0.648 . . . . 1.06 110.178 -179.817 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 6.3 p -115.9 175.27 5.61 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.716 -0.675 . . . . 2.22 110.366 -178.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 40.2 m-80 69.17 27.97 5.08 Favored 'General case' 0 N--CA 1.466 0.367 0 O-C-N 123.707 0.629 . . . . 1.74 110.796 -178.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 80.4 mt -86.71 122.15 71.72 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 115.997 -0.547 . . . . 1.09 111.437 -177.083 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 528' ' ' PRO . . . . . 0.443 ' HD2' ' SG ' ' A' ' 532' ' ' CYS . 40.9 Cg_endo -69.38 130.75 20.37 Favored 'Trans proline' 0 N--CA 1.46 -0.481 0 C-N-CA 122.195 1.93 . . . . 0.88 112.093 173.543 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 529' ' ' GLU . . . . . 0.449 ' HG3' ' ND2' ' A' ' 557' ' ' ASN . 35.9 mt-10 -68.62 125.59 27.01 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.047 -0.524 . . . . 2.98 111.028 176.657 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 92.32 -18.37 54.61 Favored Glycine 0 N--CA 1.45 -0.415 0 CA-C-N 116.02 -0.536 . . . . 0.97 113.619 174.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 17.4 m -94.84 -35.34 12.11 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 117.42 0.61 . . . . 1.63 111.329 -177.2 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 532' ' ' CYS . . . . . 0.443 ' SG ' ' HD2' ' A' ' 528' ' ' PRO . 84.5 m -86.03 133.3 33.91 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.727 0.299 . . . . 1.73 110.827 179.026 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 44.0 p -105.66 170.54 7.83 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 109.844 -0.428 . . . . 1.27 109.844 176.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -56.41 -46.62 80.09 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.892 0.377 . . . . 1.32 110.457 179.385 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -59.8 -44.06 94.16 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.646 -0.706 . . . . 2.62 111.622 -176.629 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 536' ' ' ASP . . . . . 0.565 ' O ' ' HG ' ' A' ' 540' ' ' LEU . 39.8 m-20 -60.05 -47.61 85.13 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-O 120.789 0.328 . . . . 0.52 110.967 -176.17 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 537' ' ' VAL . . . . . 0.415 HG12 HD11 ' A' ' 524' ' ' ILE . 60.1 t -66.56 -45.01 89.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.677 -0.692 . . . . 1.07 110.857 -176.225 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 85.6 mt -65.29 -41.97 92.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.156 -0.475 . . . . 1.07 110.67 179.101 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 539' ' ' ASN . . . . . 0.522 ' O ' ' HD3' ' A' ' 543' ' ' PRO . 8.5 m120 -62.57 -28.01 69.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.903 -0.59 . . . . 1.74 111.752 179.473 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 540' ' ' LEU . . . . . 0.565 ' HG ' ' O ' ' A' ' 536' ' ' ASP . 25.2 mt -68.31 -39.4 82.04 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 111.991 0.367 . . . . 1.08 111.991 -179.43 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -78.45 -35.13 33.88 Favored Glycine 0 N--CA 1.453 -0.197 0 C-N-CA 120.288 -0.958 . . . . 0.26 112.579 -177.253 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 542' ' ' LEU . . . . . . . . . . . . . 39.8 mt -50.36 -47.73 82.47 Favored Pre-proline 0 CA--C 1.548 0.882 0 N-CA-C 115.352 1.612 . . . . 1.11 115.352 -174.098 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 543' ' ' PRO . . . . . 0.522 ' HD3' ' O ' ' A' ' 539' ' ' ASN . 86.0 Cg_exo -51.11 -33.18 42.49 Favored 'Trans proline' 0 C--N 1.357 0.986 0 C-N-CA 122.463 2.109 . . . . 0.22 116.555 -168.671 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 59.4 m-85 -109.2 -18.27 13.66 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 118.878 0.763 . . . . 0.42 112.878 -179.164 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 545' ' ' GLY . . . . . 0.462 ' HA3' ' CE ' ' A' ' 572' ' ' MET . . . -125.04 -142.34 5.84 Favored Glycine 0 C--N 1.318 -0.443 0 C-N-CA 121.207 -0.52 . . . . 1.14 112.657 176.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 546' ' ' LYS . . . . . 0.409 ' O ' ' HA ' ' A' ' 563' ' ' MET . 56.0 tptt -152.77 129.85 11.12 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.624 -0.288 . . . . 2.18 110.475 174.106 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 95.4 t -91.61 135.01 28.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.978 -0.556 . . . . 1.06 111.706 -176.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 27.6 p -108.91 -41.03 4.85 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.954 -0.566 . . . . 1.05 112.289 175.468 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 66.5 m-80 -148.0 166.33 28.04 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.767 -0.457 . . . . 1.46 109.767 -177.156 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 28.1 p90 -148.44 150.82 34.15 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.935 0.398 . . . . 0.99 111.408 -179.053 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 29.1 mt -134.23 121.85 38.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 108.784 -0.821 . . . . 1.19 108.784 171.053 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 552' ' ' LEU . . . . . . . . . . . . . 79.8 mt -112.95 110.38 20.41 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.226 -0.443 . . . . 1.21 111.396 -175.434 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 65.2 mtt -107.37 83.22 1.78 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.598 0.713 . . . . 1.46 109.105 175.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -69.97 -29.66 66.83 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.102 -0.954 . . . . 1.98 110.735 -177.409 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 67.8 p -59.4 -27.13 65.73 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.204 -0.453 . . . . 1.26 111.37 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 556' ' ' THR . . . . . 0.464 ' O ' ' HG2' ' A' ' 558' ' ' GLN . 69.9 p -106.65 11.63 30.19 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.471 -0.331 . . . . 1.41 111.129 178.81 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 557' ' ' ASN . . . . . 0.449 ' ND2' ' HG3' ' A' ' 529' ' ' GLU . 15.8 m120 57.04 41.34 27.66 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 115.743 -0.662 . . . . 2.35 110.898 -177.542 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 558' ' ' GLN . . . . . 0.464 ' HG2' ' O ' ' A' ' 556' ' ' THR . 12.5 mm100 -137.1 157.05 47.57 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.168 0.509 . . . . 2.3 111.625 -172.367 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -143.67 145.6 32.57 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.976 -0.556 . . . . 1.06 110.647 176.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 560' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -128.41 128.29 44.19 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.847 -0.615 . . . . 0.45 109.418 178.149 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 14.2 tp -126.33 128.49 47.17 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.34 -0.391 . . . . 1.06 110.278 -173.547 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 562' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -99.87 138.0 37.56 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-O 120.735 0.303 . . . . 1.85 110.435 -175.172 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 563' ' ' MET . . . . . 0.71 ' HE3' ' SD ' ' A' ' 572' ' ' MET . 19.8 mmt -114.24 144.33 43.39 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.963 -0.562 . . . . 1.16 111.261 -174.571 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -64.42 -26.75 68.59 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-N 115.139 -0.937 . . . . 1.13 111.735 -177.408 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 565' ' ' TYR . . . . . 0.433 ' HB3' ' OE2' ' A' ' 567' ' ' GLU . 75.0 m-85 -132.41 138.49 47.69 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.547 -0.752 . . . . 1.44 109.095 -177.87 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 566' ' ' THR . . . . . 0.563 ' O ' ' HG3' ' A' ' 570' ' ' GLN . 7.1 t -66.03 -37.48 85.98 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.042 -0.526 . . . . 1.18 109.785 179.066 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 567' ' ' GLU . . . . . 0.433 ' OE2' ' HB3' ' A' ' 565' ' ' TYR . 1.4 pm0 -66.88 -33.02 74.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.115 -0.493 . . . . 1.91 110.643 176.3 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 568' ' ' ALA . . . . . . . . . . . . . . . -64.03 -42.49 97.06 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.089 0.471 . . . . 1.07 109.886 176.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -67.44 -45.76 75.1 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.667 -0.697 . . . . 1.06 111.029 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 570' ' ' GLN . . . . . 0.563 ' HG3' ' O ' ' A' ' 566' ' ' THR . 72.0 mt-30 -65.29 -45.61 83.72 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.306 -0.406 . . . . 1.35 110.789 -178.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -62.3 -45.58 92.6 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-N 116.029 -0.532 . . . . 1.09 111.617 -176.041 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 572' ' ' MET . . . . . 0.71 ' SD ' ' HE3' ' A' ' 563' ' ' MET . 17.7 ptp -63.42 -42.78 98.72 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.067 0.461 . . . . 1.11 109.996 -178.726 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 573' ' ' VAL . . . . . 0.486 ' CG1' ' HA ' ' A' ' 591' ' ' ARG . 54.0 t -66.57 -35.95 76.1 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.763 0 CA-C-N 115.607 -0.724 . . . . 1.05 111.294 -178.05 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 574' ' ' GLN . . . . . 0.54 ' HG3' ' O ' ' A' ' 570' ' ' GLN . 29.2 mt-30 -58.57 -37.98 76.89 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.557 -0.534 . . . . 2.38 109.557 177.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 575' ' ' TYR . . . . . 0.47 ' HD2' ' CD2' ' A' ' 576' ' ' TYR . 89.7 t80 -69.55 -50.24 46.74 Favored 'General case' 0 C--O 1.221 -0.439 0 CA-C-N 116.051 -0.522 . . . . 0.99 111.201 173.462 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 576' ' ' TYR . . . . . 0.523 ' CB ' ' HB ' ' A' ' 590' ' ' ILE . 21.5 m-85 -73.67 -17.38 61.15 Favored 'General case' 0 N--CA 1.467 0.375 0 N-CA-C 112.729 0.64 . . . . 0.38 112.729 -171.692 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -77.23 -29.85 54.28 Favored 'General case' 0 C--N 1.318 -0.764 0 C-N-CA 120.577 -0.449 . . . . 1.86 110.913 174.506 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -96.76 -39.21 9.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.933 0.397 . . . . 2.07 111.094 179.282 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -130.47 78.06 74.85 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-N 115.925 -0.579 . . . . 2.57 109.862 178.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_exo -69.83 160.45 49.65 Favored 'Trans proline' 0 CA--C 1.532 0.399 0 C-N-CA 123.886 3.057 . . . . 0.21 113.249 -172.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -93.27 153.3 18.66 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.819 -0.628 . . . . 1.02 111.064 -173.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 582' ' ' ILE . . . . . 0.432 HG12 ' HG2' ' A' ' 587' ' ' LYS . 57.2 mt -114.5 132.76 62.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.058 0.456 . . . . 1.16 112.223 -171.546 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 583' ' ' ILE . . . . . . . . . . . . . 30.5 mt -126.27 120.66 57.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 115.919 -0.582 . . . . 1.42 110.262 172.545 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 584' ' ' ASN . . . . . 0.498 HD21 ' N ' ' A' ' 584' ' ' ASN . 0.8 OUTLIER 59.29 35.13 23.24 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 116.125 -0.489 . . . . 1.7 111.302 177.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 83.13 3.34 90.34 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.802 -0.714 . . . . 0.69 113.027 178.151 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -107.47 127.01 53.22 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.922 0.391 . . . . 1.93 110.44 179.614 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 587' ' ' LYS . . . . . 0.432 ' HG2' HG12 ' A' ' 582' ' ' ILE . 52.9 mtmt -81.32 107.58 14.22 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.9 -0.591 . . . . 2.64 109.897 -179.018 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 588' ' ' LEU . . . . . . . . . . . . . 65.5 mt -86.89 129.98 34.65 Favored 'General case' 0 CA--C 1.507 -0.709 0 CA-C-N 115.887 -0.597 . . . . 1.09 110.594 -177.586 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 39.8 tp -83.5 109.14 17.13 Favored 'General case' 0 C--N 1.311 -1.072 0 N-CA-C 109.024 -0.732 . . . . 1.1 109.024 174.03 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 590' ' ' ILE . . . . . 0.523 ' HB ' ' CB ' ' A' ' 576' ' ' TYR . 44.9 mt -96.74 115.09 35.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 107.894 -1.15 . . . . 1.04 107.894 177.519 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 591' ' ' ARG . . . . . 0.486 ' HA ' ' CG1' ' A' ' 573' ' ' VAL . 8.1 ptp180 -146.02 165.69 28.28 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 112.668 0.618 . . . . 3.66 112.668 -174.592 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 592' ' ' MET . . . . . 0.483 ' HG2' HG11 ' A' ' 573' ' ' VAL . 0.1 OUTLIER -62.53 140.83 58.64 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.176 -0.92 . . . . 1.06 110.42 -175.555 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 86.0 p -83.26 128.88 34.87 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.641 -0.424 . . . . 1.57 110.086 176.114 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 6.8 p -95.56 31.89 1.92 Allowed 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.278 0.561 . . . . 2.17 110.095 175.018 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -137.47 -40.65 0.57 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.565 -0.743 . . . . 3.39 110.957 -176.298 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 83.3 m-85 -110.16 135.22 51.29 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.963 0.411 . . . . 1.27 111.521 -173.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 18.2 tppt? -90.3 -40.9 11.85 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.045 -0.724 . . . . 3.84 109.045 169.501 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -152.41 156.09 38.83 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.216 -0.902 . . . . 2.02 109.471 178.094 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 599' ' ' LEU . . . . . . . . . . . . . 97.1 mt . . . . . 0 C--N 1.323 -0.568 0 CA-C-O 121.196 0.522 . . . . 1.09 110.588 -178.387 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 59.5 t . . . . . 0 N--CA 1.449 -0.508 0 CA-C-O 121.516 0.674 . . . . 1.08 111.814 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 522' ' ' VAL . . . . . 0.439 HG21 ' HE2' ' A' ' 592' ' ' MET . 93.4 t -105.19 134.14 47.47 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-N 115.099 -0.955 . . . . 1.07 109.414 172.857 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 7.2 p-80 -106.67 136.13 47.01 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.614 -0.513 . . . . 2.21 109.614 179.355 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 524' ' ' ILE . . . . . . . . . . . . . 77.6 mt -109.65 127.68 66.27 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.987 0 CA-C-N 116.131 -0.486 . . . . 1.06 109.976 178.525 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 8.3 p -120.73 171.65 8.44 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.715 -0.675 . . . . 2.22 110.906 -175.089 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 67.79 33.94 4.59 Favored 'General case' 0 N--CA 1.464 0.239 0 O-C-N 123.915 0.759 . . . . 1.74 110.277 -177.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 84.0 mt -88.01 120.36 70.7 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-N 115.871 -0.604 . . . . 1.09 111.301 -176.629 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 528' ' ' PRO . . . . . 0.532 ' HD2' ' SG ' ' A' ' 532' ' ' CYS . 35.8 Cg_endo -68.58 131.96 24.18 Favored 'Trans proline' 0 C--O 1.237 0.462 0 C-N-CA 122.361 2.041 . . . . 0.88 111.97 172.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -68.86 131.0 44.41 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.003 -0.544 . . . . 2.98 111.295 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 83.78 -18.7 19.2 Favored Glycine 0 N--CA 1.45 -0.392 0 CA-C-N 116.084 -0.507 . . . . 0.97 113.41 175.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 531' ' ' SER . . . . . 0.4 ' HB3' ' ND2' ' A' ' 584' ' ' ASN . 12.9 m -92.14 -36.21 13.43 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.99 0.395 . . . . 1.63 110.907 -178.459 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 532' ' ' CYS . . . . . 0.532 ' SG ' ' HD2' ' A' ' 528' ' ' PRO . 67.0 m -86.31 129.55 34.81 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.309 -0.405 . . . . 1.73 110.358 178.485 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 29.5 p -104.19 167.32 9.83 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.744 -0.465 . . . . 1.27 109.744 -178.569 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -59.76 -44.4 93.87 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.558 -0.534 . . . . 1.32 109.558 178.274 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 49.5 m-80 -61.86 -44.19 97.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.427 -0.806 . . . . 2.62 111.623 -177.164 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 536' ' ' ASP . . . . . 0.526 ' O ' ' HG ' ' A' ' 540' ' ' LEU . 34.4 m-20 -66.72 -44.62 81.13 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 120.56 0.219 . . . . 0.52 111.506 -175.45 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 94.7 t -61.68 -41.92 92.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.002 0.429 . . . . 1.07 110.394 -178.131 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 86.1 mt -67.3 -40.95 85.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.89 -0.596 . . . . 1.07 110.659 177.061 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 539' ' ' ASN . . . . . 0.483 ' O ' ' HD3' ' A' ' 543' ' ' PRO . 6.2 m120 -61.96 -30.56 71.01 Favored 'General case' 0 C--O 1.224 -0.251 0 CA-C-N 115.929 -0.578 . . . . 1.74 111.884 -178.093 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 540' ' ' LEU . . . . . 0.526 ' HG ' ' O ' ' A' ' 536' ' ' ASP . 41.3 mt -69.42 -39.04 78.13 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 111.667 0.247 . . . . 1.08 111.667 -176.844 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -76.37 -36.8 38.08 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.475 -0.869 . . . . 0.26 112.425 -177.662 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 542' ' ' LEU . . . . . 0.481 ' HA ' ' O ' ' A' ' 545' ' ' GLY . 82.3 mt -48.04 -47.32 65.12 Favored Pre-proline 0 CA--C 1.545 0.776 0 N-CA-C 114.92 1.452 . . . . 1.11 114.92 -173.584 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 543' ' ' PRO . . . . . 0.483 ' HD3' ' O ' ' A' ' 539' ' ' ASN . 65.1 Cg_exo -49.08 -34.71 30.79 Favored 'Trans proline' 0 C--N 1.357 0.995 0 C-N-CA 122.346 2.03 . . . . 0.22 115.579 -171.653 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 544' ' ' PHE . . . . . 0.429 ' HB2' ' CB ' ' A' ' 572' ' ' MET . 87.0 m-85 -110.43 -17.52 13.44 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.141 -0.624 . . . . 0.42 112.677 178.43 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 545' ' ' GLY . . . . . 0.481 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . -149.84 138.96 7.07 Favored Glycine 0 C--O 1.226 -0.401 0 C-N-CA 120.754 -0.736 . . . . 1.14 112.984 177.086 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 546' ' ' LYS . . . . . 0.466 ' O ' ' HA ' ' A' ' 563' ' ' MET . 23.3 tptm -77.17 143.83 38.8 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.85 0.357 . . . . 2.18 111.379 -178.645 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 547' ' ' VAL . . . . . 0.565 ' HA ' ' O ' ' A' ' 562' ' ' GLU . 99.5 t -98.71 136.31 30.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.407 -0.815 . . . . 1.06 110.646 179.116 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 548' ' ' THR . . . . . 0.451 ' HG1' ' HG3' ' A' ' 562' ' ' GLU . 47.5 p -102.89 -38.21 7.49 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.016 0.436 . . . . 1.05 110.56 178.65 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -159.72 167.66 27.79 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 108.968 -0.752 . . . . 1.46 108.968 178.376 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 39.4 p90 -142.53 151.61 41.79 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.679 -0.408 . . . . 0.99 111.569 -178.352 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 54.9 mt -127.3 122.73 60.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 108.999 -0.741 . . . . 1.19 108.999 173.067 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 552' ' ' LEU . . . . . . . . . . . . . 41.7 mt -112.05 111.65 22.72 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 116.128 -0.487 . . . . 1.21 111.43 -175.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 67.0 mtt -108.52 86.21 2.25 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.505 0.669 . . . . 1.46 110.187 177.306 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -67.31 -30.19 69.97 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.155 -0.93 . . . . 1.98 110.308 -179.306 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 59.5 p -63.57 -27.44 69.25 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.66 -0.7 . . . . 1.26 111.907 -179.581 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 76.0 p -104.21 8.53 36.21 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.836 -0.346 . . . . 1.41 111.057 178.635 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 12.3 m120 57.24 42.21 25.66 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 115.747 -0.66 . . . . 2.35 110.889 -179.287 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -142.31 153.81 44.17 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.888 0.375 . . . . 2.3 110.977 -174.217 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -130.49 142.97 50.48 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.108 -0.496 . . . . 1.06 110.125 176.074 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 560' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -126.87 128.37 46.4 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.916 0.388 . . . . 0.45 109.991 -179.091 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 561' ' ' LEU . . . . . 0.44 ' HB3' ' HE3' ' A' ' 563' ' ' MET . 15.2 tp -125.51 134.85 51.87 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.869 -0.605 . . . . 1.06 109.888 -173.055 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 562' ' ' GLU . . . . . 0.565 ' O ' ' HA ' ' A' ' 547' ' ' VAL . 10.7 tp10 -101.01 137.87 38.82 Favored 'General case' 0 N--CA 1.465 0.298 0 O-C-N 123.077 0.235 . . . . 1.85 111.026 -176.207 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 563' ' ' MET . . . . . 0.733 ' HE2' ' SD ' ' A' ' 572' ' ' MET . 0.8 OUTLIER -113.82 139.35 49.22 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.943 0.877 . . . . 1.16 111.998 -175.916 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -62.7 -31.84 72.82 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-N 114.295 -1.321 . . . . 1.13 112.691 -173.582 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -130.18 154.63 47.34 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.423 -0.353 . . . . 1.44 110.106 -179.142 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 9.3 t -61.98 -37.11 83.57 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.131 0.491 . . . . 1.18 110.251 176.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -66.57 -34.55 78.16 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.773 -0.649 . . . . 1.91 110.687 177.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 568' ' ' ALA . . . . . 0.473 ' HB2' ' CA ' ' A' ' 545' ' ' GLY . . . -62.4 -46.11 90.09 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.905 -0.588 . . . . 1.07 110.858 -178.065 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -68.28 -47.28 68.11 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.951 -0.568 . . . . 1.06 111.647 -178.216 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 570' ' ' GLN . . . . . 0.556 ' O ' ' HG3' ' A' ' 574' ' ' GLN . 48.3 mt-30 -69.76 -46.28 66.17 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.3 -0.409 . . . . 1.35 111.516 -176.144 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -62.0 -41.11 97.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.353 -0.385 . . . . 1.09 111.548 -174.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 572' ' ' MET . . . . . 0.733 ' SD ' ' HE2' ' A' ' 563' ' ' MET . 15.4 ptp -66.43 -46.24 77.13 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.836 -0.345 . . . . 1.11 110.808 -177.214 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 573' ' ' VAL . . . . . 0.515 ' N ' ' HG3' ' A' ' 572' ' ' MET . 90.5 t -66.81 -36.9 78.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.337 -0.392 . . . . 1.05 111.412 -175.047 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 574' ' ' GLN . . . . . 0.556 ' HG3' ' O ' ' A' ' 570' ' ' GLN . 27.4 mt-30 -59.42 -37.32 77.74 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.653 -0.499 . . . . 2.38 109.653 178.128 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 72.5 t80 -69.78 -49.89 48.51 Favored 'General case' 0 C--O 1.222 -0.395 0 CA-C-N 116.062 -0.517 . . . . 0.99 110.955 172.615 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 576' ' ' TYR . . . . . 0.495 ' CE1' ' HB2' ' A' ' 572' ' ' MET . 21.2 m-85 -71.99 -16.54 62.07 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 112.691 0.626 . . . . 0.38 112.691 -172.652 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -76.68 -30.8 56.89 Favored 'General case' 0 C--N 1.318 -0.797 0 C-N-CA 120.562 -0.455 . . . . 1.86 110.438 174.259 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -95.86 -39.73 9.67 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.007 -0.542 . . . . 2.07 110.669 -178.583 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -129.97 78.78 74.33 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 115.74 -0.664 . . . . 2.57 109.554 176.234 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -68.16 159.63 52.31 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 123.381 2.721 . . . . 0.21 112.596 -174.524 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -91.88 152.88 19.88 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.007 -0.542 . . . . 1.02 110.487 -173.217 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 582' ' ' ILE . . . . . 0.436 HG12 ' HG2' ' A' ' 587' ' ' LYS . 57.2 mt -114.55 127.81 71.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 121.143 0.497 . . . . 1.16 112.334 -169.603 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 583' ' ' ILE . . . . . . . . . . . . . 36.9 mt -122.45 124.99 72.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.739 -0.664 . . . . 1.42 109.938 171.312 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 584' ' ' ASN . . . . . 0.4 ' ND2' ' HB3' ' A' ' 531' ' ' SER . 4.8 m-20 59.3 33.91 22.73 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.213 -0.449 . . . . 1.7 111.562 178.791 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 80.74 3.9 90.33 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.988 -0.625 . . . . 0.69 112.456 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -106.84 127.45 53.42 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.87 0.367 . . . . 1.93 110.774 -178.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 587' ' ' LYS . . . . . 0.436 ' HG2' HG12 ' A' ' 582' ' ' ILE . 30.4 mtpp -80.35 109.6 15.0 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.183 -0.462 . . . . 2.64 109.989 179.331 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 588' ' ' LEU . . . . . . . . . . . . . 69.4 mt -86.14 127.45 34.71 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.926 -0.579 . . . . 1.09 110.301 179.604 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 589' ' ' LEU . . . . . 0.4 ' HG ' ' HG3' ' A' ' 591' ' ' ARG . 26.4 tp -83.6 109.31 17.31 Favored 'General case' 0 N--CA 1.438 -1.052 0 N-CA-C 108.714 -0.847 . . . . 1.1 108.714 176.209 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 590' ' ' ILE . . . . . . . . . . . . . 52.5 mt -95.36 116.6 37.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 108.519 -0.919 . . . . 1.04 108.519 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 591' ' ' ARG . . . . . 0.4 ' HG3' ' HG ' ' A' ' 589' ' ' LEU . 29.1 mtp85 -129.78 157.69 41.48 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 113.014 0.746 . . . . 3.66 113.014 -170.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 592' ' ' MET . . . . . 0.478 ' HG2' HG11 ' A' ' 573' ' ' VAL . 0.1 OUTLIER -66.63 135.39 54.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.278 -0.873 . . . . 1.06 110.02 179.283 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 43.2 t -87.63 126.14 34.78 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.932 -0.307 . . . . 1.57 110.269 176.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 12.6 t -99.53 -15.36 18.67 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.149 0.5 . . . . 2.17 109.78 172.357 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 70.5 mtp180 -76.82 -39.14 52.39 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.823 -0.626 . . . . 3.39 110.643 -179.274 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -110.29 132.93 53.74 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.933 -0.395 . . . . 1.27 109.933 177.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -91.69 -26.04 18.83 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.148 -0.478 . . . . 3.84 109.745 172.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -159.98 143.65 14.21 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 108.806 -0.813 . . . . 2.02 108.806 -174.67 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 599' ' ' LEU . . . . . . . . . . . . . 42.8 mt . . . . . 0 C--N 1.322 -0.6 0 N-CA-C 109.86 -0.422 . . . . 1.09 109.86 175.532 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 521' ' ' VAL . . . . . 0.411 HG23 ' HA ' ' A' ' 598' ' ' GLU . 90.2 t . . . . . 0 N--CA 1.451 -0.403 0 CA-C-O 121.735 0.779 . . . . 1.08 111.999 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 522' ' ' VAL . . . . . . . . . . . . . 88.0 t -104.63 136.47 38.02 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 114.496 -1.229 . . . . 1.07 109.048 171.695 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 4.6 p-80 -104.26 137.51 42.07 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.594 -0.521 . . . . 2.21 109.594 -177.652 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 524' ' ' ILE . . . . . . . . . . . . . 78.9 mt -117.11 126.96 74.77 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.898 0 CA-C-N 115.913 -0.585 . . . . 1.06 109.976 178.768 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 7.7 p -122.25 174.84 6.73 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.637 -0.71 . . . . 2.22 110.79 -174.728 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 66.08 26.8 10.68 Favored 'General case' 0 N--CA 1.466 0.355 0 O-C-N 123.679 0.612 . . . . 1.74 110.879 -178.669 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 81.0 mt -78.2 121.28 83.68 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 116.086 -0.506 . . . . 1.09 111.166 -176.754 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 528' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo -67.41 131.37 24.59 Favored 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 121.998 1.798 . . . . 0.88 111.873 176.473 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -69.13 132.13 46.08 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.567 -0.742 . . . . 2.98 111.434 -179.069 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 80.37 -18.54 8.22 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 121.186 -0.531 . . . . 0.97 113.273 176.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 3.8 m -86.88 -34.54 19.4 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.018 0.437 . . . . 1.63 110.689 -178.693 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 35.5 m -85.81 130.0 34.67 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.93 -0.577 . . . . 1.73 111.364 -176.057 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 69.2 p -105.93 170.73 7.73 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.906 -0.776 . . . . 1.27 108.906 171.862 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -56.17 -43.73 78.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.022 0.439 . . . . 1.32 110.187 179.73 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -59.51 -43.59 93.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.413 -0.812 . . . . 2.62 112.174 -176.546 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 536' ' ' ASP . . . . . 0.708 ' O ' ' HG ' ' A' ' 540' ' ' LEU . 42.3 m-20 -61.55 -48.12 82.44 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-O 120.884 0.373 . . . . 0.52 110.917 -174.998 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 80.0 t -63.91 -43.99 97.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.8 -0.636 . . . . 1.07 110.827 -176.329 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 87.9 mt -67.04 -46.04 85.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.142 0.496 . . . . 1.07 110.673 179.222 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 539' ' ' ASN . . . . . 0.497 ' O ' ' HD3' ' A' ' 543' ' ' PRO . 6.2 m-20 -63.28 -27.01 69.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.582 -0.735 . . . . 1.74 112.519 -177.22 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 540' ' ' LEU . . . . . 0.708 ' HG ' ' O ' ' A' ' 536' ' ' ASP . 46.0 mt -71.19 -39.16 71.97 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.936 -0.305 . . . . 1.08 111.648 178.993 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -79.46 -35.42 29.39 Favored Glycine 0 CA--C 1.516 0.149 0 C-N-CA 120.496 -0.859 . . . . 0.26 112.352 -178.255 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 542' ' ' LEU . . . . . 0.409 ' HA ' ' O ' ' A' ' 545' ' ' GLY . 29.3 mt -47.89 -46.84 63.87 Favored Pre-proline 0 CA--C 1.544 0.72 0 N-CA-C 115.184 1.549 . . . . 1.11 115.184 -175.899 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 543' ' ' PRO . . . . . 0.497 ' HD3' ' O ' ' A' ' 539' ' ' ASN . 64.1 Cg_exo -49.09 -34.09 28.98 Favored 'Trans proline' 0 C--N 1.357 0.993 0 C-N-CA 122.323 2.015 . . . . 0.22 115.632 -171.219 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -110.0 -17.52 13.58 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.9 0.704 . . . . 0.42 112.9 179.888 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 545' ' ' GLY . . . . . 0.409 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . -149.53 143.39 10.76 Favored Glycine 0 CA--C 1.519 0.308 0 C-N-CA 120.921 -0.657 . . . . 1.14 112.537 176.193 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 24.0 tptm -76.32 137.77 40.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.258 0.551 . . . . 2.18 111.458 -177.603 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 91.1 t -97.24 137.68 24.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.203 -0.908 . . . . 1.06 110.796 179.639 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 548' ' ' THR . . . . . 0.514 ' HG1' ' HG3' ' A' ' 562' ' ' GLU . 54.9 p -107.98 -39.69 5.45 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.824 0.345 . . . . 1.05 111.089 176.247 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 33.3 m-80 -146.88 166.93 25.23 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 110.221 -0.288 . . . . 1.46 110.221 -173.35 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 52.6 p90 -149.92 150.65 32.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.98 0.419 . . . . 0.99 111.442 178.019 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 25.7 mt -128.66 123.2 58.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 108.617 -0.883 . . . . 1.19 108.617 170.45 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 552' ' ' LEU . . . . . . . . . . . . . 86.8 mt -111.98 113.2 25.36 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.409 -0.36 . . . . 1.21 111.522 -175.234 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 26.2 mmt -108.11 84.94 2.03 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.409 -0.589 . . . . 1.46 109.409 173.414 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -68.51 -32.63 72.73 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.466 -0.788 . . . . 1.98 111.379 -175.129 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 64.2 p -65.48 -22.73 66.77 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.176 -0.465 . . . . 1.26 111.706 -178.464 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 556' ' ' THR . . . . . 0.478 ' O ' ' HG2' ' A' ' 558' ' ' GLN . 69.2 p -107.59 4.91 26.47 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.529 -0.305 . . . . 1.41 111.499 -179.884 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 16.3 m120 56.72 41.93 27.55 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 115.826 -0.625 . . . . 2.35 111.088 -177.629 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 558' ' ' GLN . . . . . 0.478 ' HG2' ' O ' ' A' ' 556' ' ' THR . 20.8 mm-40 -139.76 148.57 42.44 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.313 -0.403 . . . . 2.3 110.275 -175.147 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -140.31 145.36 37.12 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.997 0.427 . . . . 1.06 110.855 179.144 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 560' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -122.06 126.14 47.8 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.547 -0.751 . . . . 0.45 109.181 178.06 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 561' ' ' LEU . . . . . 0.429 ' HB3' ' HE2' ' A' ' 563' ' ' MET . 15.5 tp -121.13 132.82 55.09 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 116.1 -0.5 . . . . 1.06 109.681 -173.479 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 562' ' ' GLU . . . . . 0.514 ' HG3' ' HG1' ' A' ' 548' ' ' THR . 10.7 tp10 -101.82 134.48 44.92 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.825 0.345 . . . . 1.85 111.07 -174.932 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 563' ' ' MET . . . . . 0.701 ' HE1' ' SD ' ' A' ' 572' ' ' MET . 0.4 OUTLIER -112.47 144.84 41.25 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.704 0.764 . . . . 1.16 111.498 -174.779 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -65.36 -28.6 69.39 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 114.751 -1.113 . . . . 1.13 112.171 -175.703 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 34.6 m-85 -136.59 146.35 45.98 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.902 -0.407 . . . . 1.44 109.902 -175.022 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 566' ' ' THR . . . . . 0.401 ' O ' ' HG2' ' A' ' 570' ' ' GLN . 5.7 t -61.05 -38.59 86.71 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.166 -0.47 . . . . 1.18 110.167 176.5 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -66.47 -36.0 81.66 Favored 'General case' 0 C--O 1.226 -0.153 0 CA-C-N 116.189 -0.46 . . . . 1.91 110.805 177.891 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 568' ' ' ALA . . . . . . . . . . . . . . . -63.09 -45.9 89.89 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.273 -0.421 . . . . 1.07 110.76 179.569 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 569' ' ' ALA . . . . . 0.441 ' O ' ' HG2' ' A' ' 572' ' ' MET . . . -67.73 -46.89 70.85 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.881 -0.6 . . . . 1.06 111.625 -177.302 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 570' ' ' GLN . . . . . 0.582 ' O ' ' HG2' ' A' ' 574' ' ' GLN . 10.8 pt20 -69.08 -44.18 73.08 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.306 -0.406 . . . . 1.35 111.133 -176.722 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -62.15 -40.71 96.89 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.386 -0.37 . . . . 1.09 111.526 -177.438 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 572' ' ' MET . . . . . 0.701 ' SD ' ' HE1' ' A' ' 563' ' ' MET . 13.1 ptp -65.83 -44.44 85.56 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 110.026 -0.361 . . . . 1.11 110.026 -179.55 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 573' ' ' VAL . . . . . 0.463 ' CG1' ' HA ' ' A' ' 591' ' ' ARG . 78.7 t -66.49 -36.3 76.98 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.603 0 CA-C-N 116.098 -0.501 . . . . 1.05 111.123 -177.74 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 574' ' ' GLN . . . . . 0.582 ' HG2' ' O ' ' A' ' 570' ' ' GLN . 29.5 mm-40 -58.23 -38.15 76.28 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.596 -0.52 . . . . 2.38 109.596 177.653 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -69.65 -50.39 44.58 Favored 'General case' 0 C--O 1.219 -0.528 0 CA-C-N 116.121 -0.49 . . . . 0.99 111.053 173.605 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 576' ' ' TYR . . . . . 0.406 ' CB ' ' HB ' ' A' ' 590' ' ' ILE . 20.8 m-85 -72.2 -16.62 61.95 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 112.771 0.656 . . . . 0.38 112.771 -172.389 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -71.82 -34.3 69.22 Favored 'General case' 0 C--N 1.318 -0.778 0 C-N-CA 120.727 -0.389 . . . . 1.86 110.673 173.24 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -96.92 -39.67 9.27 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.103 0.478 . . . . 2.07 110.835 179.696 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -126.48 79.77 70.47 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 115.647 -0.706 . . . . 2.57 110.017 177.838 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -70.15 161.35 46.33 Favored 'Trans proline' 0 C--O 1.235 0.327 0 C-N-CA 123.726 2.951 . . . . 0.21 112.483 -176.238 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -92.27 152.69 19.69 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.199 -0.455 . . . . 1.02 110.522 -175.76 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 66.7 mt -120.55 133.99 65.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-O 120.94 0.4 . . . . 1.16 112.026 -170.537 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 583' ' ' ILE . . . . . . . . . . . . . 39.8 mt -121.53 116.36 49.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.961 -0.563 . . . . 1.42 110.168 171.51 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 58.44 39.27 25.32 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 116.093 -0.503 . . . . 1.7 111.789 175.847 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 84.57 0.87 89.32 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.983 -0.627 . . . . 0.69 112.885 178.076 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -105.07 126.74 52.4 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.856 0.36 . . . . 1.93 110.389 179.823 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 60.3 mtpt -83.49 113.4 20.76 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.977 -0.556 . . . . 2.64 110.366 -178.838 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 588' ' ' LEU . . . . . 0.502 HD13 ' CD1' ' A' ' 540' ' ' LEU . 54.3 mt -87.38 127.4 35.21 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.993 -0.549 . . . . 1.09 109.863 177.929 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 37.8 tp -83.69 107.93 16.44 Favored 'General case' 0 C--N 1.309 -1.17 0 N-CA-C 108.655 -0.869 . . . . 1.1 108.655 173.725 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 590' ' ' ILE . . . . . 0.406 ' HB ' ' CB ' ' A' ' 576' ' ' TYR . 40.8 mt -96.43 115.59 36.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 108.432 -0.951 . . . . 1.04 108.432 177.056 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 591' ' ' ARG . . . . . 0.463 ' HA ' ' CG1' ' A' ' 573' ' ' VAL . 73.7 mtt180 -139.04 165.04 28.18 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.324 0.49 . . . . 3.66 112.324 -173.787 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 592' ' ' MET . . . . . 0.452 ' HG2' HG12 ' A' ' 573' ' ' VAL . 0.1 OUTLIER -62.95 134.71 56.61 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.623 -0.717 . . . . 1.06 109.43 -178.629 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 23.0 t -81.8 130.78 35.18 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.047 0.451 . . . . 1.57 110.759 -176.482 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 22.2 p -99.12 -25.14 14.63 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.521 -0.763 . . . . 2.17 110.304 175.145 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 81.8 mtp180 -74.52 -39.53 62.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.386 -0.825 . . . . 3.39 110.801 -179.574 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 66.3 m-85 -124.25 133.63 53.45 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.333 -0.394 . . . . 1.27 110.308 177.273 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -91.27 -39.63 11.97 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.866 -0.606 . . . . 3.84 109.524 174.568 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 598' ' ' GLU . . . . . 0.411 ' HA ' HG23 ' A' ' 521' ' ' VAL . 8.7 pt-20 -148.71 144.62 27.22 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.938 -1.028 . . . . 2.02 109.589 -179.17 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 599' ' ' LEU . . . . . 0.435 HD12 ' HB2' ' A' ' 562' ' ' GLU . 42.9 mt . . . . . 0 C--N 1.323 -0.544 0 CA-C-O 121.348 0.594 . . . . 1.09 110.266 178.02 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 74.5 t . . . . . 0 N--CA 1.448 -0.552 0 CA-C-O 121.182 0.515 . . . . 1.08 109.635 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 522' ' ' VAL . . . . . 0.455 HG21 ' SD ' ' A' ' 572' ' ' MET . 61.0 t -103.45 133.25 47.85 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.982 0 CA-C-N 115.755 -0.657 . . . . 1.07 109.424 177.202 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 5.8 p-80 -109.38 139.43 44.35 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.144 0.497 . . . . 2.21 110.007 -177.95 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 524' ' ' ILE . . . . . . . . . . . . . 78.2 mt -115.98 129.78 71.77 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.881 0 CA-C-N 115.673 -0.694 . . . . 1.06 110.172 179.231 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 16.4 p -120.56 175.02 6.2 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.889 -0.596 . . . . 2.22 110.5 -176.909 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 67.87 29.07 6.81 Favored 'General case' 0 N--CA 1.466 0.341 0 O-C-N 123.567 0.542 . . . . 1.74 110.361 179.147 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 79.8 mt -82.57 122.34 78.61 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 115.603 -0.726 . . . . 1.09 111.082 -175.917 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 528' ' ' PRO . . . . . 0.526 ' HD2' ' SG ' ' A' ' 532' ' ' CYS . 38.1 Cg_endo -69.01 129.53 18.57 Favored 'Trans proline' 0 N--CA 1.459 -0.539 0 C-N-CA 121.379 1.386 . . . . 0.88 111.025 174.093 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -70.4 125.73 27.62 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.972 -0.558 . . . . 2.98 111.701 -177.333 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 84.95 -18.4 26.99 Favored Glycine 0 N--CA 1.45 -0.405 0 CA-C-N 115.887 -0.597 . . . . 0.97 112.994 177.393 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 50.9 m -86.15 -34.46 20.57 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.805 0.336 . . . . 1.63 111.318 -176.699 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 532' ' ' CYS . . . . . 0.526 ' SG ' ' HD2' ' A' ' 528' ' ' PRO . 57.2 m -85.34 149.31 25.54 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.365 -0.379 . . . . 1.73 110.212 179.372 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 533' ' ' THR . . . . . 0.432 ' O ' HG23 ' A' ' 537' ' ' VAL . 30.1 p -106.46 165.92 10.92 Favored 'General case' 0 C--N 1.319 -0.761 0 N-CA-C 109.125 -0.695 . . . . 1.27 109.125 173.932 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -62.63 -45.28 93.56 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.05 -0.722 . . . . 1.32 109.05 176.744 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -62.41 -43.57 98.5 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.096 -0.956 . . . . 2.62 111.793 -177.016 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 536' ' ' ASP . . . . . 0.672 ' O ' ' HG ' ' A' ' 540' ' ' LEU . 8.8 m-20 -61.15 -45.85 92.97 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 120.908 -0.317 . . . . 0.52 111.45 -179.069 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 537' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 533' ' ' THR . 70.9 t -61.66 -42.05 92.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.101 0.477 . . . . 1.07 110.508 -178.986 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 86.3 mt -67.13 -45.83 85.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.768 -0.651 . . . . 1.07 110.743 177.301 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 539' ' ' ASN . . . . . 0.51 ' O ' ' HD3' ' A' ' 543' ' ' PRO . 79.0 m-20 -61.79 -27.15 68.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.564 -0.744 . . . . 1.74 112.056 -178.341 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 540' ' ' LEU . . . . . 0.672 ' HG ' ' O ' ' A' ' 536' ' ' ASP . 41.0 mt -64.24 -39.49 94.07 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 121.094 -0.242 . . . . 1.08 111.287 178.74 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -80.01 -36.87 23.73 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.71 -0.757 . . . . 0.26 112.772 -177.562 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 542' ' ' LEU . . . . . 0.596 ' HA ' ' O ' ' A' ' 545' ' ' GLY . 68.5 mt -48.07 -42.81 52.39 Favored Pre-proline 0 CA--C 1.545 0.776 0 N-CA-C 115.343 1.609 . . . . 1.11 115.343 -173.218 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 543' ' ' PRO . . . . . 0.51 ' HD3' ' O ' ' A' ' 539' ' ' ASN . 80.3 Cg_exo -50.79 -34.4 44.54 Favored 'Trans proline' 0 C--N 1.357 1.003 0 C-N-CA 121.849 1.699 . . . . 0.22 115.138 -174.706 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 69.2 m-85 -110.6 -18.98 13.05 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 113.039 0.755 . . . . 0.42 113.039 177.778 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 545' ' ' GLY . . . . . 0.596 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . -145.35 149.66 21.81 Favored Glycine 0 CA--C 1.52 0.351 0 C-N-CA 120.266 -0.968 . . . . 1.14 113.529 178.443 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 546' ' ' LYS . . . . . 0.482 ' O ' ' HA ' ' A' ' 563' ' ' MET . 56.2 tptt -86.72 127.67 34.98 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.774 0.321 . . . . 2.18 111.674 -177.926 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 547' ' ' VAL . . . . . 0.599 ' HA ' ' O ' ' A' ' 562' ' ' GLU . 84.4 t -87.98 135.71 24.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.473 -0.785 . . . . 1.06 110.535 177.017 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 81.5 p -101.27 -39.59 7.55 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.084 0.469 . . . . 1.05 110.523 177.188 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -157.98 168.46 27.06 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.647 -0.706 . . . . 1.46 109.941 179.423 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 33.4 p90 -141.24 151.15 43.48 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.982 0.42 . . . . 0.99 110.885 -177.756 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 551' ' ' ILE . . . . . 0.405 HD13 HD23 ' A' ' 599' ' ' LEU . 29.9 mt -130.73 123.73 55.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.643 -0.708 . . . . 1.19 109.148 174.997 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 552' ' ' LEU . . . . . . . . . . . . . 46.5 mt -110.68 111.22 22.27 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.289 -0.414 . . . . 1.21 111.526 -174.507 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 63.4 mtt -108.93 86.02 2.21 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.411 0.624 . . . . 1.46 110.033 174.417 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 32.7 mmtm -67.74 -30.09 69.48 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.386 -0.824 . . . . 1.98 110.461 -177.031 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 65.1 p -58.88 -36.85 75.33 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.603 -0.726 . . . . 1.26 111.602 -178.011 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 69.2 p -101.07 11.43 39.56 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.297 -0.41 . . . . 1.41 111.601 -178.895 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 56.34 43.23 26.64 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.93 -0.577 . . . . 2.35 110.737 -179.806 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 74.6 mm-40 -140.23 149.02 42.37 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.132 0.492 . . . . 2.3 110.85 -175.61 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -130.13 142.56 50.58 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 115.944 -0.571 . . . . 1.06 109.527 175.498 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 560' ' ' PHE . . . . . 0.435 ' HB3' HD21 ' A' ' 599' ' ' LEU . 76.6 m-85 -120.05 126.79 51.66 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 109.666 -0.494 . . . . 0.45 109.666 179.348 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 561' ' ' LEU . . . . . 0.403 HD23 ' HE1' ' A' ' 563' ' ' MET . 14.8 tp -124.19 128.09 48.7 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.735 -0.666 . . . . 1.06 109.559 -174.232 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 562' ' ' GLU . . . . . 0.599 ' O ' ' HA ' ' A' ' 547' ' ' VAL . 7.4 tp10 -99.35 138.45 36.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.69 -0.232 . . . . 1.85 111.327 -172.321 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 563' ' ' MET . . . . . 0.574 ' SD ' ' HE3' ' A' ' 572' ' ' MET . 14.8 mmt -115.96 135.07 54.32 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.337 0.589 . . . . 1.16 111.43 -176.2 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -66.26 -25.99 67.13 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.332 -0.849 . . . . 1.13 111.556 -177.155 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -126.12 134.41 51.35 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.423 -0.808 . . . . 1.44 109.12 -178.826 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 7.1 t -69.37 -30.81 68.89 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.71 0.291 . . . . 1.18 110.246 178.675 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -66.94 -35.88 80.99 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-O 121.055 0.455 . . . . 1.91 110.062 174.705 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 568' ' ' ALA . . . . . 0.569 ' HB1' ' CA ' ' A' ' 545' ' ' GLY . . . -62.54 -46.16 89.64 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 115.52 -0.764 . . . . 1.07 109.519 176.854 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 569' ' ' ALA . . . . . 0.854 ' HA ' ' SD ' ' A' ' 572' ' ' MET . . . -64.29 -45.48 87.83 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.507 -0.769 . . . . 1.06 111.567 -179.631 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 570' ' ' GLN . . . . . 0.541 ' O ' ' HG2' ' A' ' 574' ' ' GLN . 46.9 mt-30 -65.86 -47.15 75.9 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.26 -0.427 . . . . 1.35 111.149 -179.251 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -68.82 -37.93 79.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.552 -0.294 . . . . 1.09 111.547 -176.349 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 572' ' ' MET . . . . . 0.854 ' SD ' ' HA ' ' A' ' 569' ' ' ALA . 3.0 ptm -63.58 -47.69 80.44 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.674 -0.491 . . . . 1.11 109.674 -179.509 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 573' ' ' VAL . . . . . 0.553 ' N ' ' HG2' ' A' ' 572' ' ' MET . 50.6 t -67.24 -37.42 79.1 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.611 0 CA-C-N 116.399 -0.364 . . . . 1.05 111.235 -177.743 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 574' ' ' GLN . . . . . 0.541 ' HG2' ' O ' ' A' ' 570' ' ' GLN . 15.8 mm100 -59.1 -36.83 75.83 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.619 -0.432 . . . . 2.38 110.001 177.597 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 575' ' ' TYR . . . . . 0.41 ' HD2' ' CD2' ' A' ' 576' ' ' TYR . 82.5 t80 -69.67 -50.69 41.54 Favored 'General case' 0 C--O 1.219 -0.537 0 C-N-CA 120.729 -0.389 . . . . 0.99 111.277 172.958 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 576' ' ' TYR . . . . . 0.524 ' CB ' ' HB ' ' A' ' 590' ' ' ILE . 20.4 m-85 -74.7 -19.41 60.26 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 112.34 0.496 . . . . 0.38 112.34 -170.996 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 15.9 mm-40 -71.11 -30.54 66.64 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 120.904 0.383 . . . . 1.86 110.74 172.641 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 36.1 mm-40 -97.58 -39.93 8.87 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.115 0.483 . . . . 2.07 111.286 -179.819 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 13.1 mmmm -128.9 84.47 62.99 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-N 115.938 -0.574 . . . . 2.57 109.641 175.009 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_exo -73.37 159.62 46.36 Favored 'Trans proline' 0 CA--C 1.529 0.229 0 C-N-CA 123.396 2.731 . . . . 0.21 112.284 -176.282 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -93.62 153.16 18.54 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.826 0.346 . . . . 1.02 111.193 -172.88 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 582' ' ' ILE . . . . . 0.511 ' HA ' ' O ' ' A' ' 586' ' ' GLU . 61.8 mt -111.33 133.05 58.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.105 0.479 . . . . 1.16 112.166 -173.06 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 583' ' ' ILE . . . . . . . . . . . . . 34.3 mm -120.51 113.57 40.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 115.366 -0.834 . . . . 1.42 110.543 173.493 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 52.91 40.61 31.22 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 122.87 0.468 . . . . 1.7 111.759 178.314 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 85.76 4.49 85.03 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.739 -0.743 . . . . 0.69 112.644 179.28 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 586' ' ' GLU . . . . . 0.511 ' O ' ' HA ' ' A' ' 582' ' ' ILE . 56.3 mm-40 -101.83 125.42 48.5 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 110.093 -0.336 . . . . 1.93 110.093 178.443 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -86.83 107.42 18.3 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.39 -0.596 . . . . 2.64 109.39 177.217 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 588' ' ' LEU . . . . . . . . . . . . . 77.4 mt -92.43 125.86 37.26 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.833 -0.622 . . . . 1.09 110.451 -177.764 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 32.2 tp -82.55 109.4 16.72 Favored 'General case' 0 N--CA 1.44 -0.969 0 N-CA-C 108.573 -0.899 . . . . 1.1 108.573 175.119 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 590' ' ' ILE . . . . . 0.524 ' HB ' ' CB ' ' A' ' 576' ' ' TYR . 49.2 mt -94.96 116.02 35.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 N-CA-C 108.42 -0.955 . . . . 1.04 108.42 -179.859 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 591' ' ' ARG . . . . . 0.425 ' HA ' HG13 ' A' ' 573' ' ' VAL . 27.0 ptt180 -144.73 163.97 32.42 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.985 0.735 . . . . 3.66 112.985 -172.69 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 592' ' ' MET . . . . . 0.487 ' HG2' HG12 ' A' ' 573' ' ' VAL . 0.7 OUTLIER -63.61 139.59 58.78 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.248 -0.887 . . . . 1.06 110.549 -173.563 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 23.1 t -87.85 126.63 35.14 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.772 -0.455 . . . . 1.57 109.772 174.835 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 15.1 p -95.38 -14.02 24.21 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.201 0.524 . . . . 2.17 109.895 173.472 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -81.45 -37.08 28.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.594 -0.73 . . . . 3.39 110.792 179.737 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -115.09 132.9 56.45 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.041 0.448 . . . . 1.27 111.109 176.317 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 62.0 mttp -91.58 -39.96 11.61 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.421 -0.808 . . . . 3.84 109.356 172.722 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -143.33 148.2 35.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.04 -0.982 . . . . 2.02 109.209 178.226 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 599' ' ' LEU . . . . . 0.435 HD21 ' HB3' ' A' ' 560' ' ' PHE . 59.3 mt . . . . . 0 C--N 1.321 -0.656 0 CA-C-O 121.239 0.543 . . . . 1.09 110.311 175.131 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 68.8 t . . . . . 0 N--CA 1.449 -0.508 0 N-CA-C 109.72 -0.474 . . . . 1.08 109.72 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 522' ' ' VAL . . . . . . . . . . . . . 49.3 t -98.99 128.94 50.09 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 N-CA-C 109.531 -0.544 . . . . 1.07 109.531 -179.624 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 523' ' ' HIS . . . . . 0.426 ' CE1' ' HG3' ' A' ' 591' ' ' ARG . 5.0 p-80 -106.43 136.72 45.69 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.407 -0.517 . . . . 2.21 109.913 -179.447 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 524' ' ' ILE . . . . . . . . . . . . . 74.7 mt -110.77 130.47 64.1 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.953 0 CA-C-N 115.517 -0.765 . . . . 1.06 110.135 -178.936 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 525' ' ' CYS . . . . . 0.589 ' SG ' ' HB3' ' A' ' 589' ' ' LEU . 2.9 p -123.45 175.0 7.01 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.93 -0.577 . . . . 2.22 111.0 -177.106 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 69.55 26.34 5.11 Favored 'General case' 0 N--CA 1.469 0.487 0 O-C-N 124.027 0.829 . . . . 1.74 110.312 -174.824 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 79.6 mt -83.43 121.67 76.73 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 115.981 -0.554 . . . . 1.09 111.164 -177.572 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 528' ' ' PRO . . . . . 0.765 ' HD2' ' SG ' ' A' ' 532' ' ' CYS . 17.3 Cg_exo -68.17 132.26 25.59 Favored 'Trans proline' 0 C--O 1.238 0.496 0 C-N-CA 122.474 2.116 . . . . 0.88 111.596 171.696 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -68.07 131.64 45.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.845 0.355 . . . . 2.98 111.509 -179.679 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 77.36 -19.64 3.68 Favored Glycine 0 C--O 1.228 -0.223 0 CA-C-N 115.96 -0.564 . . . . 0.97 113.834 174.583 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 531' ' ' SER . . . . . 0.478 ' HB2' ' HB2' ' A' ' 528' ' ' PRO . 16.1 m -85.46 -32.17 22.43 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 117.139 0.469 . . . . 1.63 110.605 -179.556 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 532' ' ' CYS . . . . . 0.765 ' SG ' ' HD2' ' A' ' 528' ' ' PRO . 36.4 m -85.24 136.11 33.65 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.893 -0.594 . . . . 1.73 109.952 178.27 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 69.9 p -105.93 168.61 9.01 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.523 -0.547 . . . . 1.27 109.523 176.52 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -59.93 -40.67 89.69 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.502 0.668 . . . . 1.32 109.348 179.603 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -62.5 -43.49 98.68 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 114.798 -1.092 . . . . 2.62 112.105 -175.653 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 536' ' ' ASP . . . . . 0.445 ' O ' ' HG ' ' A' ' 540' ' ' LEU . 63.9 m-20 -63.75 -47.42 81.09 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 120.956 0.408 . . . . 0.52 110.898 -175.874 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 59.5 t -62.57 -42.58 96.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.443 -0.799 . . . . 1.07 110.857 -176.53 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 97.8 mt -66.74 -45.58 87.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.012 -0.54 . . . . 1.07 110.978 179.298 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 539' ' ' ASN . . . . . 0.538 ' O ' ' HD3' ' A' ' 543' ' ' PRO . 21.5 m-80 -63.47 -28.31 69.87 Favored 'General case' 0 CA--C 1.518 -0.254 0 N-CA-C 112.563 0.579 . . . . 1.74 112.563 -179.849 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 540' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 536' ' ' ASP . 28.7 mt -68.39 -33.51 74.38 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.67 -0.412 . . . . 1.08 111.669 178.804 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 541' ' ' GLY . . . . . 0.417 ' O ' ' HE1' ' A' ' 572' ' ' MET . . . -79.25 -33.86 34.5 Favored Glycine 0 CA--C 1.518 0.264 0 C-N-CA 120.22 -0.99 . . . . 0.26 112.674 -178.281 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 542' ' ' LEU . . . . . 0.463 HD12 ' HA ' ' A' ' 539' ' ' ASN . 87.8 mt -52.04 -48.1 89.49 Favored Pre-proline 0 CA--C 1.548 0.873 0 N-CA-C 115.531 1.678 . . . . 1.11 115.531 -175.019 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 543' ' ' PRO . . . . . 0.538 ' HD3' ' O ' ' A' ' 539' ' ' ASN . 17.2 Cg_exo -43.24 -33.53 3.83 Favored 'Trans proline' 0 N--CA 1.484 0.953 0 C-N-CA 123.259 2.639 . . . . 0.22 117.273 -167.27 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 544' ' ' PHE . . . . . 0.49 ' HB2' ' CA ' ' A' ' 572' ' ' MET . 79.0 m-85 -110.02 -17.44 13.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 121.16 -0.963 . . . . 0.42 112.362 179.719 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -128.77 -140.33 4.92 Favored Glycine 0 C--N 1.32 -0.359 0 CA-C-N 116.094 -0.503 . . . . 1.14 112.741 -179.348 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 546' ' ' LYS . . . . . 0.45 ' O ' ' HA ' ' A' ' 563' ' ' MET . 29.9 tptp -151.41 138.73 19.37 Favored 'General case' 0 C--N 1.312 -1.038 0 N-CA-C 109.147 -0.686 . . . . 2.18 109.147 173.369 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 92.3 t -91.88 134.38 30.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 O-C-N 123.229 0.331 . . . . 1.06 110.469 179.461 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 548' ' ' THR . . . . . 0.497 ' CG2' ' HA ' ' A' ' 564' ' ' ALA . 37.4 p -107.33 -40.57 5.34 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.023 -0.535 . . . . 1.05 111.031 176.908 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 72.3 m-20 -147.81 165.65 29.92 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.988 -0.551 . . . . 1.46 109.93 -176.694 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 11.8 p90 -150.04 150.03 31.17 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 110.139 -0.319 . . . . 0.99 110.139 178.057 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 21.0 mt -137.74 124.07 27.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 109.299 -0.63 . . . . 1.19 109.299 173.407 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 552' ' ' LEU . . . . . . . . . . . . . 84.5 mt -105.09 110.83 23.37 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 116.009 -0.542 . . . . 1.21 110.97 -177.098 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 24.9 mmt -101.47 81.82 2.23 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.782 -0.822 . . . . 1.46 108.782 174.597 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -70.55 -30.18 66.83 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.002 -0.999 . . . . 1.98 110.951 -175.286 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 65.3 p -64.27 -25.92 68.27 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.899 -0.591 . . . . 1.26 111.174 178.914 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 76.6 p -105.96 9.38 32.64 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.3 -0.409 . . . . 1.41 111.367 179.785 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 4.1 t30 56.85 42.64 26.21 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 115.821 -0.627 . . . . 2.35 110.823 -179.337 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -143.37 149.72 38.1 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.009 0.433 . . . . 2.3 111.369 -174.554 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -130.49 143.8 50.99 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.143 -0.48 . . . . 1.06 110.271 176.083 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 560' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -120.61 129.09 53.59 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.011 -0.54 . . . . 0.45 110.062 178.791 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 15.2 tp -124.29 126.32 45.84 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.013 -0.54 . . . . 1.06 110.123 -175.525 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 562' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -100.65 138.95 37.01 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.253 -0.431 . . . . 1.85 110.075 -176.945 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 563' ' ' MET . . . . . 0.45 ' HA ' ' O ' ' A' ' 546' ' ' LYS . 21.6 mmt -109.61 164.09 12.86 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.108 -0.496 . . . . 1.16 111.274 -174.402 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 564' ' ' ALA . . . . . 0.497 ' HA ' ' CG2' ' A' ' 548' ' ' THR . . . -65.1 -46.78 79.64 Favored 'General case' 0 C--O 1.237 0.427 0 N-CA-C 111.958 0.355 . . . . 1.13 111.958 -178.35 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -133.61 161.16 35.4 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.878 -0.601 . . . . 1.44 109.545 -178.547 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 566' ' ' THR . . . . . 0.594 ' O ' ' HG2' ' A' ' 570' ' ' GLN . 14.7 t -63.64 -36.9 85.35 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 120.367 -0.533 . . . . 1.18 110.134 179.175 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -65.18 -31.77 73.12 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-O 120.877 0.37 . . . . 1.91 110.651 177.244 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 568' ' ' ALA . . . . . . . . . . . . . . . -62.2 -47.13 85.83 Favored 'General case' 0 N--CA 1.447 -0.625 0 N-CA-C 108.576 -0.898 . . . . 1.07 108.576 172.992 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 569' ' ' ALA . . . . . 0.518 ' HA ' ' SD ' ' A' ' 572' ' ' MET . . . -67.76 -39.29 84.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.042 -0.981 . . . . 1.06 112.028 -177.865 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 570' ' ' GLN . . . . . 0.594 ' HG2' ' O ' ' A' ' 566' ' ' THR . 23.4 mm-40 -62.51 -46.11 89.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.224 0.535 . . . . 1.35 110.055 178.422 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -62.22 -47.78 82.89 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.283 -0.871 . . . . 1.09 113.011 -167.228 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 572' ' ' MET . . . . . 0.518 ' SD ' ' HA ' ' A' ' 569' ' ' ALA . 0.5 OUTLIER -71.31 -41.84 69.41 Favored 'General case' 0 CA--C 1.518 -0.266 0 C-N-CA 119.902 -0.719 . . . . 1.11 110.544 -177.892 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 573' ' ' VAL . . . . . 0.505 ' CG1' ' HA ' ' A' ' 591' ' ' ARG . 91.3 t -67.37 -37.17 78.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.912 -0.585 . . . . 1.05 112.079 -174.968 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 574' ' ' GLN . . . . . 0.519 ' HG2' ' O ' ' A' ' 570' ' ' GLN . 11.5 mm-40 -59.48 -36.74 76.59 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.693 -0.403 . . . . 2.38 109.944 176.736 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -68.71 -48.61 63.42 Favored 'General case' 0 C--O 1.215 -0.757 0 CA-C-N 116.17 -0.468 . . . . 0.99 110.499 172.113 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 576' ' ' TYR . . . . . 0.456 ' CB ' ' HB ' ' A' ' 590' ' ' ILE . 25.0 m-85 -76.01 -16.87 59.89 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 113.859 1.059 . . . . 0.38 113.859 -171.141 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -78.74 -28.48 44.9 Favored 'General case' 0 C--N 1.315 -0.895 0 C-N-CA 119.655 -0.818 . . . . 1.86 110.179 173.721 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -96.83 -39.76 9.26 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.783 -0.644 . . . . 2.07 111.446 -179.392 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -133.51 80.48 57.09 Favored Pre-proline 0 C--N 1.322 -0.61 0 N-CA-C 108.96 -0.755 . . . . 2.57 108.96 176.406 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_exo -66.89 160.61 46.11 Favored 'Trans proline' 0 CA--C 1.531 0.356 0 C-N-CA 123.788 2.992 . . . . 0.21 113.445 -172.172 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -91.82 153.18 19.74 Favored 'General case' 0 CA--C 1.52 -0.174 0 CA-C-N 115.846 -0.615 . . . . 1.02 110.623 -173.194 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 582' ' ' ILE . . . . . 0.403 HG12 ' HG2' ' A' ' 587' ' ' LYS . 70.0 mt -114.53 134.92 55.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 112.844 0.683 . . . . 1.16 112.844 -169.85 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 583' ' ' ILE . . . . . . . . . . . . . 16.5 mt -122.37 126.9 74.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.58 -0.736 . . . . 1.42 109.505 168.282 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 59.23 35.75 23.57 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.078 -0.51 . . . . 1.7 111.647 177.351 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 76.8 7.28 86.08 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 121.108 -0.568 . . . . 0.69 113.092 177.207 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -120.75 135.83 55.04 Favored 'General case' 0 N--CA 1.442 -0.836 0 N-CA-C 109.832 -0.432 . . . . 1.93 109.832 179.864 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 587' ' ' LYS . . . . . 0.403 ' HG2' HG12 ' A' ' 582' ' ' ILE . 43.7 mtmt -82.4 127.28 33.11 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.08 -0.509 . . . . 2.64 111.969 -171.348 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 588' ' ' LEU . . . . . . . . . . . . . 38.4 mt -95.99 137.4 35.11 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.577 -0.738 . . . . 1.09 109.392 175.001 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 589' ' ' LEU . . . . . 0.589 ' HB3' ' SG ' ' A' ' 525' ' ' CYS . 46.6 tp -89.86 109.91 20.89 Favored 'General case' 0 C--N 1.311 -1.07 0 C-N-CA 119.724 -0.79 . . . . 1.1 108.958 173.012 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 590' ' ' ILE . . . . . 0.456 ' HB ' ' CB ' ' A' ' 576' ' ' TYR . 43.0 mt -97.52 115.63 37.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 108.199 -1.037 . . . . 1.04 108.199 177.758 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 591' ' ' ARG . . . . . 0.505 ' HA ' ' CG1' ' A' ' 573' ' ' VAL . 15.2 ptm180 -146.57 159.29 43.63 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.287 0.565 . . . . 3.66 112.406 -173.17 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 592' ' ' MET . . . . . . . . . . . . . 1.2 mmt -64.19 134.58 55.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.235 -0.893 . . . . 1.06 110.55 -175.331 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 32.3 t -87.9 134.01 33.79 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.07 0.462 . . . . 1.57 110.835 176.786 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 17.3 p -95.96 -0.29 50.89 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.663 0.744 . . . . 2.17 109.781 173.651 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 72.2 mtp180 -95.0 -36.69 11.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.194 -0.912 . . . . 3.39 111.345 -176.913 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 47.6 m-85 -122.22 132.48 54.46 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.721 0.296 . . . . 1.27 111.018 -178.784 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -92.07 -36.58 13.27 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.924 -0.58 . . . . 3.84 109.872 171.171 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -147.67 147.53 30.07 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.371 -0.831 . . . . 2.02 110.218 -179.856 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 599' ' ' LEU . . . . . . . . . . . . . 92.9 mt . . . . . 0 C--N 1.322 -0.603 0 CA-C-N 116.021 -0.536 . . . . 1.09 110.417 -179.494 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 71.8 t . . . . . 0 N--CA 1.452 -0.373 0 CA-C-O 121.105 0.479 . . . . 1.08 110.454 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 522' ' ' VAL . . . . . . . . . . . . . 58.5 t -109.31 134.27 51.88 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 N-CA-C 109.128 -0.693 . . . . 1.07 109.128 174.978 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 11.6 p-80 -110.73 140.35 45.2 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.357 0.599 . . . . 2.21 110.831 -178.447 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 524' ' ' ILE . . . . . 0.426 HD13 HG13 ' A' ' 537' ' ' VAL . 79.0 mt -112.95 130.03 67.54 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.876 0 CA-C-N 115.285 -0.87 . . . . 1.06 110.735 -177.153 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 45.9 m -114.12 174.44 5.94 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.845 -0.616 . . . . 2.22 110.432 -178.337 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 68.8 27.64 5.68 Favored 'General case' 0 N--CA 1.468 0.441 0 O-C-N 123.593 0.558 . . . . 1.74 111.131 178.192 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 79.2 mt -84.51 120.26 74.0 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 116.217 -0.447 . . . . 1.09 111.107 -177.864 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 528' ' ' PRO . . . . . 0.523 ' HD2' ' SG ' ' A' ' 532' ' ' CYS . 37.1 Cg_endo -69.1 132.88 25.37 Favored 'Trans proline' 0 C--O 1.238 0.485 0 C-N-CA 122.566 2.178 . . . . 0.88 112.059 174.383 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -68.73 132.09 46.26 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.575 -0.739 . . . . 2.98 111.371 -179.386 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 79.38 -18.28 6.98 Favored Glycine 0 CA--C 1.517 0.191 0 CA-C-N 116.172 -0.467 . . . . 0.97 113.594 175.815 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 15.6 m -89.29 -34.33 16.63 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.889 0.375 . . . . 1.63 110.952 -177.757 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 532' ' ' CYS . . . . . 0.523 ' SG ' ' HD2' ' A' ' 528' ' ' PRO . 55.5 m -86.02 137.24 32.85 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.253 -0.43 . . . . 1.73 110.821 -179.934 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 69.6 p -105.78 170.39 7.93 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.677 -0.49 . . . . 1.27 109.677 175.974 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -60.19 -43.42 95.91 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.313 0.578 . . . . 1.32 109.599 178.298 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -59.77 -43.52 94.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 114.932 -1.031 . . . . 2.62 111.661 -177.418 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 536' ' ' ASP . . . . . 0.545 ' O ' ' HG ' ' A' ' 540' ' ' LEU . 38.6 m-20 -59.56 -48.56 81.2 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 120.848 0.356 . . . . 0.52 111.237 -176.283 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 537' ' ' VAL . . . . . 0.426 HG13 HD13 ' A' ' 524' ' ' ILE . 45.7 t -63.01 -45.72 98.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.774 -0.648 . . . . 1.07 110.537 -176.041 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 88.0 mt -66.91 -42.74 89.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.732 -0.667 . . . . 1.07 110.651 -179.812 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 539' ' ' ASN . . . . . 0.502 ' O ' ' HD3' ' A' ' 543' ' ' PRO . 0.9 OUTLIER -65.36 -28.3 69.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.074 -0.512 . . . . 1.74 112.132 -178.488 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 540' ' ' LEU . . . . . 0.545 ' HG ' ' O ' ' A' ' 536' ' ' ASP . 55.7 mt -73.58 -34.49 65.13 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.856 -0.338 . . . . 1.08 111.817 -179.538 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -77.22 -39.93 25.6 Favored Glycine 0 N--CA 1.453 -0.186 0 C-N-CA 120.287 -0.959 . . . . 0.26 112.329 -179.531 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 542' ' ' LEU . . . . . 0.582 ' HA ' ' O ' ' A' ' 545' ' ' GLY . 81.0 mt -49.01 -44.11 70.33 Favored Pre-proline 0 CA--C 1.546 0.793 0 N-CA-C 115.106 1.521 . . . . 1.11 115.106 -174.28 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 543' ' ' PRO . . . . . 0.502 ' HD3' ' O ' ' A' ' 539' ' ' ASN . 34.3 Cg_exo -47.98 -34.27 22.42 Favored 'Trans proline' 0 C--N 1.358 1.071 0 C-N-CA 122.501 2.134 . . . . 0.22 115.792 -173.553 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 544' ' ' PHE . . . . . 0.495 ' HB2' ' CB ' ' A' ' 572' ' ' MET . 95.5 m-85 -111.44 -18.74 12.8 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 119.824 -0.751 . . . . 0.42 112.854 177.367 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 545' ' ' GLY . . . . . 0.582 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . -148.43 149.61 21.67 Favored Glycine 0 C--O 1.224 -0.482 0 C-N-CA 120.821 -0.704 . . . . 1.14 113.104 178.713 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 546' ' ' LYS . . . . . 0.453 ' O ' ' HA ' ' A' ' 563' ' ' MET . 23.5 tptm -85.7 137.18 33.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.012 0.434 . . . . 2.18 111.598 -177.937 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 547' ' ' VAL . . . . . 0.515 ' HA ' ' O ' ' A' ' 562' ' ' GLU . 97.4 t -90.1 136.66 23.25 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 CA-C-N 115.182 -0.917 . . . . 1.06 111.215 179.687 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 26.5 p -104.38 -41.58 5.71 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.75 -0.659 . . . . 1.05 112.044 176.46 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 61.8 m-80 -147.81 165.21 31.25 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.267 -0.642 . . . . 1.46 109.267 -178.231 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 12.1 p90 -145.16 149.0 34.2 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.706 -0.397 . . . . 0.99 110.859 176.58 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 23.7 mt -136.45 123.54 32.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 109.135 -0.691 . . . . 1.19 109.135 174.215 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 552' ' ' LEU . . . . . . . . . . . . . 84.1 mt -106.64 111.31 23.8 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 116.028 -0.533 . . . . 1.21 111.387 -176.484 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 26.2 mmt -107.93 83.89 1.87 Allowed 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.39 -0.596 . . . . 1.46 109.39 174.121 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -68.32 -30.75 69.81 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.524 -0.762 . . . . 1.98 110.597 -176.591 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 68.4 p -60.65 -31.52 70.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.966 -0.561 . . . . 1.26 111.261 179.144 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 70.8 p -98.39 9.23 43.57 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.073 0.463 . . . . 1.41 110.984 178.371 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 10.7 m120 55.11 40.37 31.83 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 115.195 -0.911 . . . . 2.35 111.116 178.045 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -148.86 162.13 40.44 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.009 0.433 . . . . 2.3 110.601 -176.55 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -137.63 144.47 41.92 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.973 -0.558 . . . . 1.06 110.347 179.943 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 560' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -114.45 126.84 55.42 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.181 -0.463 . . . . 0.45 109.856 178.239 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 15.3 tp -126.27 126.44 44.0 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.366 -0.605 . . . . 1.06 109.366 -176.126 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 562' ' ' GLU . . . . . 0.515 ' O ' ' HA ' ' A' ' 547' ' ' VAL . 36.0 tt0 -99.45 138.76 36.08 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.555 0.217 . . . . 1.85 110.921 -173.013 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 563' ' ' MET . . . . . 0.682 ' HE2' ' SD ' ' A' ' 572' ' ' MET . 15.7 mmt -113.62 137.16 51.98 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.018 -0.537 . . . . 1.16 110.71 -176.1 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -65.7 -29.78 70.37 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-N 115.155 -0.93 . . . . 1.13 111.965 -176.546 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -121.62 141.87 50.68 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 116.119 -0.491 . . . . 1.44 109.819 -176.437 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 566' ' ' THR . . . . . 0.446 ' O ' ' HG3' ' A' ' 570' ' ' GLN . 8.0 t -64.33 -35.53 81.16 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.542 -0.54 . . . . 1.18 109.542 175.649 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -66.15 -38.6 88.5 Favored 'General case' 0 CA--C 1.515 -0.398 0 CA-C-N 115.879 -0.6 . . . . 1.91 110.496 175.973 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 568' ' ' ALA . . . . . 0.554 ' HB3' ' CA ' ' A' ' 545' ' ' GLY . . . -62.18 -44.39 96.71 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.652 -0.704 . . . . 1.07 110.422 179.469 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -67.75 -46.44 72.09 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.69 -0.686 . . . . 1.06 111.509 -179.313 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 570' ' ' GLN . . . . . 0.507 ' O ' ' HG2' ' A' ' 574' ' ' GLN . 76.3 mt-30 -68.14 -46.0 72.03 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.415 -0.357 . . . . 1.35 111.545 -176.828 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -62.25 -42.17 99.09 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-N 116.309 -0.405 . . . . 1.09 111.602 -174.301 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 572' ' ' MET . . . . . 0.682 ' SD ' ' HE2' ' A' ' 563' ' ' MET . 15.8 ptp -65.88 -45.06 83.47 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 116.341 -0.39 . . . . 1.11 110.307 -178.978 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 573' ' ' VAL . . . . . 0.499 HG12 ' HG2' ' A' ' 592' ' ' MET . 98.1 t -66.94 -36.84 78.15 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.513 0 CA-C-N 116.246 -0.433 . . . . 1.05 111.504 -177.059 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 574' ' ' GLN . . . . . 0.507 ' HG2' ' O ' ' A' ' 570' ' ' GLN . 15.9 mm100 -58.85 -38.12 78.01 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.511 -0.552 . . . . 2.38 109.511 178.127 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 72.5 t80 -69.38 -49.65 53.45 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.794 -0.639 . . . . 0.99 111.079 172.984 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 576' ' ' TYR . . . . . 0.472 ' CE1' ' HB2' ' A' ' 572' ' ' MET . 20.6 m-85 -73.4 -16.73 61.32 Favored 'General case' 0 C--O 1.222 -0.36 0 N-CA-C 113.012 0.745 . . . . 0.38 113.012 -172.109 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 577' ' ' GLN . . . . . 0.573 ' NE2' ' HB3' ' A' ' 591' ' ' ARG . 25.6 mm-40 -76.14 -29.26 57.73 Favored 'General case' 0 C--N 1.319 -0.723 0 O-C-N 121.872 -0.517 . . . . 1.86 110.747 173.909 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -98.06 -39.54 8.87 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.86 0.362 . . . . 2.07 111.258 178.622 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 59.2 mtpt -130.0 80.57 70.84 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-N 116.166 -0.47 . . . . 2.57 110.125 177.112 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_exo -71.2 160.1 50.02 Favored 'Trans proline' 0 C--O 1.233 0.266 0 C-N-CA 123.553 2.836 . . . . 0.21 112.195 -176.005 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -92.31 152.58 19.72 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.353 -0.385 . . . . 1.02 110.188 -175.432 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 60.7 mt -119.6 129.67 75.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 N-CA-C 111.991 0.367 . . . . 1.16 111.991 -170.327 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 583' ' ' ILE . . . . . 0.444 HD12 HD11 ' A' ' 588' ' ' LEU . 31.7 mt -121.66 120.63 62.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.052 -0.522 . . . . 1.42 110.582 174.544 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 584' ' ' ASN . . . . . 0.473 HD21 ' N ' ' A' ' 584' ' ' ASN . 0.8 OUTLIER 59.32 34.28 22.85 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 116.245 -0.434 . . . . 1.7 111.162 177.602 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 81.78 4.39 90.34 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.785 -0.722 . . . . 0.69 112.606 179.682 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 42.2 mm-40 -102.45 125.9 49.31 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.999 -0.371 . . . . 1.93 109.999 178.095 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 61.4 mttp -79.62 112.32 16.77 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.936 -0.394 . . . . 2.64 109.936 178.521 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 588' ' ' LEU . . . . . 0.45 HD13 ' CD1' ' A' ' 540' ' ' LEU . 22.9 mt -85.82 121.06 27.94 Favored 'General case' 0 CA--C 1.501 -0.91 0 CA-C-N 115.799 -0.637 . . . . 1.09 109.767 179.402 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 24.9 tp -84.65 107.34 16.81 Favored 'General case' 0 N--CA 1.43 -1.428 0 N-CA-C 108.128 -1.064 . . . . 1.1 108.128 174.747 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 590' ' ' ILE . . . . . 0.422 ' HB ' ' CB ' ' A' ' 576' ' ' TYR . 34.8 mt -96.3 116.12 37.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 108.286 -1.005 . . . . 1.04 108.286 179.697 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 591' ' ' ARG . . . . . 0.573 ' HB3' ' NE2' ' A' ' 577' ' ' GLN . 26.6 ptt180 -142.37 158.97 43.13 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 113.775 1.028 . . . . 3.66 113.775 -172.143 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 592' ' ' MET . . . . . 0.499 ' HG2' HG12 ' A' ' 573' ' ' VAL . 0.1 OUTLIER -65.34 131.85 47.51 Favored 'General case' 0 N--CA 1.461 0.113 0 CA-C-N 114.315 -1.311 . . . . 1.06 111.286 -174.736 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 20.6 m -87.64 128.65 35.28 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.77 0.319 . . . . 1.57 111.078 176.32 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 11.6 p -98.89 -17.77 18.21 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.166 0.508 . . . . 2.17 109.974 171.531 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 76.2 mtp180 -79.32 -41.98 26.75 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.717 -0.674 . . . . 3.39 111.133 -179.874 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -109.88 129.69 55.62 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.903 -0.319 . . . . 1.27 110.673 -178.011 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp -95.17 -39.71 9.96 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.077 -0.51 . . . . 3.84 110.284 168.33 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -134.63 145.79 48.94 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.545 -0.752 . . . . 2.02 111.536 -175.778 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 599' ' ' LEU . . . . . . . . . . . . . 94.8 mt . . . . . 0 C--N 1.319 -0.727 0 CA-C-N 115.664 -0.698 . . . . 1.09 110.084 171.225 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 65.4 t . . . . . 0 N--CA 1.45 -0.453 0 CA-C-O 121.472 0.653 . . . . 1.08 111.715 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 522' ' ' VAL . . . . . . . . . . . . . 95.7 t -104.68 134.37 46.24 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-N 114.954 -1.021 . . . . 1.07 108.939 172.596 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 523' ' ' HIS . . . . . 0.419 ' CE1' ' HG3' ' A' ' 591' ' ' ARG . 5.8 p-80 -108.5 136.89 47.36 Favored 'General case' 0 C--N 1.318 -0.765 0 C-N-CA 120.185 -0.606 . . . . 2.21 109.709 179.582 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 524' ' ' ILE . . . . . 0.401 HD13 HG12 ' A' ' 537' ' ' VAL . 76.0 mt -113.99 132.32 63.37 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.949 0 CA-C-N 115.859 -0.61 . . . . 1.06 110.293 -179.237 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 10.9 p -126.63 176.6 7.09 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.704 -0.68 . . . . 2.22 110.426 -176.943 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 14.5 m120 69.61 26.69 4.96 Favored 'General case' 0 N--CA 1.466 0.348 0 O-C-N 123.78 0.675 . . . . 1.74 110.381 -177.501 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 87.7 mt -85.54 120.9 73.46 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 115.774 -0.648 . . . . 1.09 110.844 -176.289 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 528' ' ' PRO . . . . . 0.654 ' HD2' ' SG ' ' A' ' 532' ' ' CYS . 16.9 Cg_exo -68.67 131.08 22.0 Favored 'Trans proline' 0 C--O 1.236 0.412 0 C-N-CA 122.214 1.942 . . . . 0.88 111.512 172.295 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -69.4 134.93 49.6 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.847 -0.615 . . . . 2.98 111.433 179.844 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 84.6 -18.34 25.48 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 121.16 -0.543 . . . . 0.97 112.954 176.781 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 5.8 m -94.51 -35.29 12.35 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.108 0.48 . . . . 1.63 110.871 -179.198 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 532' ' ' CYS . . . . . 0.654 ' SG ' ' HD2' ' A' ' 528' ' ' PRO . 35.9 m -86.19 130.32 34.56 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.854 -0.612 . . . . 1.73 110.894 -177.998 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 80.6 p -108.19 169.99 8.29 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.556 -0.535 . . . . 1.27 109.556 174.586 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 534' ' ' GLU . . . . . 0.408 ' HG3' ' N ' ' A' ' 535' ' ' ASN . 7.9 pt-20 -61.37 -37.9 85.07 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.936 -0.765 . . . . 1.32 108.936 174.15 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 535' ' ' ASN . . . . . 0.408 ' N ' ' HG3' ' A' ' 534' ' ' GLU . 4.4 m-20 -59.31 -44.61 92.53 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.148 -0.933 . . . . 2.62 110.712 179.612 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 536' ' ' ASP . . . . . 0.674 ' O ' ' HG ' ' A' ' 540' ' ' LEU . 30.3 m-20 -68.23 -48.07 66.11 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.514 -0.474 . . . . 0.52 111.121 -177.586 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 537' ' ' VAL . . . . . 0.401 HG12 HD13 ' A' ' 524' ' ' ILE . 77.2 t -63.56 -46.01 96.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.146 -0.479 . . . . 1.07 110.901 -176.717 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 97.7 mt -67.49 -45.35 85.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.01 -0.541 . . . . 1.07 111.25 -179.805 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 539' ' ' ASN . . . . . 0.534 ' O ' ' HD3' ' A' ' 543' ' ' PRO . 79.8 m-20 -62.77 -27.63 69.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.29 -0.414 . . . . 1.74 112.036 -178.461 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 540' ' ' LEU . . . . . 0.674 ' HG ' ' O ' ' A' ' 536' ' ' ASP . 45.5 mt -71.17 -35.65 71.71 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 111.992 0.367 . . . . 1.08 111.992 -179.631 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -79.25 -34.36 33.07 Favored Glycine 0 N--CA 1.455 -0.069 0 C-N-CA 120.336 -0.935 . . . . 0.26 112.199 -179.12 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 542' ' ' LEU . . . . . 0.506 ' HA ' ' O ' ' A' ' 545' ' ' GLY . 62.2 mt -48.33 -46.4 67.96 Favored Pre-proline 0 CA--C 1.545 0.783 0 N-CA-C 114.87 1.433 . . . . 1.11 114.87 -176.164 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 543' ' ' PRO . . . . . 0.534 ' HD3' ' O ' ' A' ' 539' ' ' ASN . 41.7 Cg_exo -47.51 -34.05 19.01 Favored 'Trans proline' 0 C--N 1.357 1.021 0 C-N-CA 122.498 2.132 . . . . 0.22 115.79 -172.9 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 544' ' ' PHE . . . . . 0.41 ' HB2' ' CB ' ' A' ' 572' ' ' MET . 95.7 m-85 -111.12 -17.81 13.15 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 113.059 0.762 . . . . 0.42 113.059 178.527 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 545' ' ' GLY . . . . . 0.506 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . -150.76 144.32 11.67 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.952 -0.642 . . . . 1.14 112.295 176.153 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 55.8 tttp -81.74 143.98 31.44 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.129 0.49 . . . . 2.18 111.499 -177.408 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 83.3 t -97.06 136.68 26.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 114.998 -1.001 . . . . 1.06 110.883 -178.553 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 548' ' ' THR . . . . . 0.573 ' OG1' ' HG3' ' A' ' 562' ' ' GLU . 75.9 p -106.15 -38.52 6.25 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.218 -0.446 . . . . 1.05 110.978 177.83 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 46.7 m-80 -147.64 166.61 26.89 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 109.65 -0.5 . . . . 1.46 109.65 -176.546 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 10.1 p90 -152.05 151.47 31.16 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.895 -0.322 . . . . 0.99 111.05 179.282 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 551' ' ' ILE . . . . . 0.418 HD12 HD21 ' A' ' 599' ' ' LEU . 19.7 mt -136.22 124.22 35.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.12 -0.491 . . . . 1.19 109.691 174.043 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 552' ' ' LEU . . . . . . . . . . . . . 68.5 mt -109.02 111.67 23.44 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.828 0.347 . . . . 1.21 111.333 -179.371 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 62.1 mtt -108.89 86.96 2.38 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.235 0.54 . . . . 1.46 110.123 175.09 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.22 -30.08 69.06 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.862 -0.608 . . . . 1.98 110.397 -177.133 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 70.1 p -63.32 -34.76 78.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.704 -0.68 . . . . 1.26 111.783 -178.488 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 556' ' ' THR . . . . . 0.403 ' O ' ' HG3' ' A' ' 558' ' ' GLN . 76.0 p -98.06 3.51 49.3 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.999 0.428 . . . . 1.41 110.832 -178.729 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 57.87 42.4 23.19 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.117 -0.947 . . . . 2.35 110.728 -178.121 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 558' ' ' GLN . . . . . 0.403 ' HG3' ' O ' ' A' ' 556' ' ' THR . 49.1 mt-30 -141.87 148.97 39.62 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.207 -0.451 . . . . 2.3 110.557 -176.803 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -129.93 143.56 50.87 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 116.304 -0.407 . . . . 1.06 110.085 176.946 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 560' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -120.79 126.4 50.03 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.198 -0.455 . . . . 0.45 109.871 -179.974 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 14.2 tp -121.84 125.41 46.4 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.847 -0.615 . . . . 1.06 109.776 -175.696 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 562' ' ' GLU . . . . . 0.573 ' HG3' ' OG1' ' A' ' 548' ' ' THR . 8.8 tp10 -100.01 137.73 38.06 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.092 -0.504 . . . . 1.85 110.326 -174.201 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 563' ' ' MET . . . . . 0.617 ' HE2' ' SD ' ' A' ' 572' ' ' MET . 19.3 mmt -113.38 161.71 16.96 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.252 0.549 . . . . 1.16 111.795 -169.901 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -75.88 -46.71 28.73 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.743 -0.662 . . . . 1.13 111.642 -179.11 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -120.71 155.76 33.2 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.434 -0.348 . . . . 1.44 110.157 -176.558 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 11.4 t -63.49 -39.59 94.86 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 110.108 -0.33 . . . . 1.18 110.108 175.163 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -66.43 -33.81 76.55 Favored 'General case' 0 C--O 1.224 -0.284 0 CA-C-N 116.32 -0.4 . . . . 1.91 110.665 178.278 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 568' ' ' ALA . . . . . 0.404 ' HB3' ' CA ' ' A' ' 545' ' ' GLY . . . -62.04 -45.65 92.63 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.013 0.435 . . . . 1.07 110.191 179.446 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -68.29 -46.45 70.3 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.535 -0.757 . . . . 1.06 111.62 -178.965 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 570' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -68.2 -45.97 71.92 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.61 -0.268 . . . . 1.35 111.403 -177.373 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -62.31 -42.16 99.14 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-N 116.308 -0.405 . . . . 1.09 111.386 -175.636 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 572' ' ' MET . . . . . 0.617 ' SD ' ' HE2' ' A' ' 563' ' ' MET . 16.3 ptp -66.76 -46.31 75.77 Favored 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 120.618 -0.433 . . . . 1.11 110.043 179.367 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 573' ' ' VAL . . . . . 0.557 ' CG1' ' HA ' ' A' ' 591' ' ' ARG . 45.8 t -66.93 -42.66 89.14 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.527 0 N-CA-C 112.175 0.435 . . . . 1.05 112.175 -173.985 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -61.35 -35.41 77.35 Favored 'General case' 0 C--N 1.319 -0.728 0 C-N-CA 120.266 -0.574 . . . . 2.38 110.042 178.039 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 55.9 t80 -66.43 -46.39 76.63 Favored 'General case' 0 C--O 1.216 -0.681 0 CA-C-N 116.018 -0.537 . . . . 0.99 110.299 172.971 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 576' ' ' TYR . . . . . 0.453 ' CE1' ' HB2' ' A' ' 572' ' ' MET . 21.1 m-85 -76.72 -17.34 59.15 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 112.629 0.603 . . . . 0.38 112.629 -175.59 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -78.51 -27.22 46.07 Favored 'General case' 0 C--N 1.32 -0.709 0 O-C-N 121.86 -0.525 . . . . 1.86 110.217 175.307 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -97.74 -39.15 9.19 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.997 -0.547 . . . . 2.07 110.873 177.429 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -130.61 82.42 64.92 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 115.732 -0.667 . . . . 2.57 109.519 176.918 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_exo -72.45 160.64 46.31 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 123.68 2.92 . . . . 0.21 113.223 -172.89 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -92.49 152.9 19.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.796 -0.638 . . . . 1.02 110.415 -175.356 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 582' ' ' ILE . . . . . 0.435 HG12 ' HG2' ' A' ' 587' ' ' LYS . 33.9 mt -120.93 133.0 69.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 112.512 0.56 . . . . 1.16 112.512 -168.212 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 583' ' ' ILE . . . . . . . . . . . . . 42.2 mt -122.19 119.55 58.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 115.993 -0.549 . . . . 1.42 110.055 171.248 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 56.16 35.6 25.97 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 112.132 0.419 . . . . 1.7 112.132 177.396 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 85.71 3.48 86.03 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.611 -0.804 . . . . 0.69 112.751 178.364 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 586' ' ' GLU . . . . . 0.403 ' O ' ' HA ' ' A' ' 582' ' ' ILE . 20.0 mm-40 -102.14 125.69 48.9 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.718 -0.475 . . . . 1.93 109.718 177.402 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 587' ' ' LYS . . . . . 0.435 ' HG2' HG12 ' A' ' 582' ' ' ILE . 38.1 mtmm -86.09 107.61 17.91 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.809 -0.441 . . . . 2.64 109.809 179.189 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 588' ' ' LEU . . . . . . . . . . . . . 38.8 mt -81.83 131.4 35.26 Favored 'General case' 0 CA--C 1.505 -0.762 0 CA-C-N 116.022 -0.535 . . . . 1.09 110.113 -178.027 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 34.6 tp -83.64 107.62 16.2 Favored 'General case' 0 N--CA 1.434 -1.24 0 N-CA-C 108.414 -0.958 . . . . 1.1 108.414 171.53 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 590' ' ' ILE . . . . . . . . . . . . . 59.6 mt -95.88 115.18 34.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 N-CA-C 107.791 -1.188 . . . . 1.04 107.791 176.141 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 591' ' ' ARG . . . . . 0.557 ' HA ' ' CG1' ' A' ' 573' ' ' VAL . 20.4 ptt180 -143.88 161.39 38.81 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.708 0.633 . . . . 3.66 112.708 -171.871 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 592' ' ' MET . . . . . 0.45 ' HG2' HG12 ' A' ' 573' ' ' VAL . 0.3 OUTLIER -63.28 139.27 58.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.377 -0.828 . . . . 1.06 110.63 -174.429 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 31.3 t -87.16 127.05 35.15 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 110.053 -0.351 . . . . 1.57 110.053 177.373 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 21.1 p -93.71 -18.25 22.32 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.114 -0.494 . . . . 2.17 110.761 178.076 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -84.04 -41.81 16.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.044 -0.525 . . . . 3.39 110.972 -178.309 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -108.06 133.39 52.42 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 110.032 -0.358 . . . . 1.27 110.032 -179.44 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 12.2 ttpp -91.85 -41.64 10.52 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.402 -0.592 . . . . 3.84 109.402 172.568 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 598' ' ' GLU . . . . . 0.424 ' HA ' ' OE2' ' A' ' 562' ' ' GLU . 0.0 OUTLIER -146.19 149.9 34.83 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.575 -0.739 . . . . 2.02 110.419 179.682 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 599' ' ' LEU . . . . . 0.418 HD21 HD12 ' A' ' 551' ' ' ILE . 37.0 mt . . . . . 0 C--N 1.322 -0.599 0 CA-C-O 121.192 0.52 . . . . 1.09 112.196 -177.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.755 0 N-CA-C 112.077 -0.409 . . . . 7.0 112.077 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . 58.54 34.66 24.07 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.182 0.515 . . . . 5.89 111.319 -179.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -150.41 162.95 39.57 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.929 -0.578 . . . . 6.52 110.494 -178.733 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . 61.29 -174.61 0.13 Allowed 'General case' 0 C--O 1.234 0.245 0 O-C-N 123.89 0.744 . . . . 2.69 111.995 178.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 514' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 48.17 67.58 0.82 Allowed 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 115.779 -0.646 . . . . 5.85 110.439 -177.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 29.7 mmm180 -66.92 -36.41 82.18 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.059 -0.973 . . . . 7.19 110.769 -175.016 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -107.6 147.21 30.93 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.645 -0.707 . . . . 5.61 109.664 170.375 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -75.56 69.17 2.07 Favored Glycine 0 N--CA 1.452 -0.265 0 CA-C-N 116.171 -0.468 . . . . 3.59 113.412 -173.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 518' ' ' ALA . . . . . . . . . . . . . . . -150.73 -78.92 0.13 Allowed 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 110.205 -0.295 . . . . 2.73 110.205 177.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 82.65 142.29 4.31 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.733 -0.746 . . . . 2.08 112.834 178.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 63.9 mtt180 -154.77 141.71 19.2 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 122.892 0.477 . . . . 3.0 110.048 175.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 99.3 t -103.87 134.71 44.37 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 115.827 -0.624 . . . . 1.08 110.476 177.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 522' ' ' VAL . . . . . 0.403 HG13 ' O ' ' A' ' 591' ' ' ARG . 83.5 t -103.95 132.29 50.75 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.924 0 CA-C-N 115.448 -0.797 . . . . 1.07 109.409 172.793 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 -106.0 132.43 52.1 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.347 -0.612 . . . . 2.21 109.347 178.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 524' ' ' ILE . . . . . . . . . . . . . 77.1 mt -113.57 129.65 69.0 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-N 115.859 -0.609 . . . . 1.06 110.409 -177.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 525' ' ' CYS . . . . . 0.453 ' SG ' ' HB3' ' A' ' 589' ' ' LEU . 25.1 p -119.01 176.35 5.33 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.674 -0.694 . . . . 2.22 110.545 -176.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 17.4 m120 69.37 26.88 5.17 Favored 'General case' 0 N--CA 1.466 0.346 0 O-C-N 123.779 0.674 . . . . 1.74 110.681 179.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 80.6 mt -87.53 120.12 70.98 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 115.693 -0.685 . . . . 1.09 110.875 -178.114 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 528' ' ' PRO . . . . . 0.713 ' HD2' ' SG ' ' A' ' 532' ' ' CYS . 11.3 Cg_exo -70.83 129.91 17.2 Favored 'Trans proline' 0 N--CA 1.458 -0.612 0 C-N-CA 122.162 1.908 . . . . 0.88 111.52 171.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 529' ' ' GLU . . . . . 0.42 ' H ' ' CD ' ' A' ' 529' ' ' GLU . 1.5 pm0 -70.32 129.11 38.43 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.859 0.362 . . . . 2.98 110.562 175.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 90.28 -18.78 46.99 Favored Glycine 0 N--CA 1.448 -0.526 0 CA-C-N 116.049 -0.523 . . . . 0.97 113.252 177.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 531' ' ' SER . . . . . 0.434 ' HB2' ' HB2' ' A' ' 528' ' ' PRO . 14.3 m -95.74 -36.9 11.01 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 117.308 0.554 . . . . 1.63 111.028 -178.101 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 532' ' ' CYS . . . . . 0.713 ' SG ' ' HD2' ' A' ' 528' ' ' PRO . 59.8 m -87.55 142.96 27.45 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.188 -0.46 . . . . 1.73 110.088 175.766 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 66.9 p -105.53 170.08 8.1 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.267 -0.642 . . . . 1.27 109.267 173.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -57.67 -38.33 74.94 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.274 0.559 . . . . 1.32 109.814 177.158 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 35.0 m-80 -64.45 -42.97 95.66 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-N 115.231 -0.895 . . . . 2.62 111.329 -176.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 536' ' ' ASP . . . . . 0.536 ' O ' ' HG ' ' A' ' 540' ' ' LEU . 45.3 m-20 -58.86 -46.06 88.67 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 120.826 0.346 . . . . 0.52 111.085 -175.537 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 45.7 t -62.01 -45.49 98.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.719 -0.673 . . . . 1.07 110.345 -178.101 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 84.1 mt -67.27 -45.94 85.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.683 -0.69 . . . . 1.07 110.795 179.097 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 539' ' ' ASN . . . . . 0.52 ' O ' ' HD3' ' A' ' 543' ' ' PRO . 95.9 m-20 -64.97 -27.45 68.84 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.65 -0.705 . . . . 1.74 111.822 -176.716 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 540' ' ' LEU . . . . . 0.536 ' HG ' ' O ' ' A' ' 536' ' ' ASP . 71.5 mt -74.48 -30.47 61.85 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 111.705 0.261 . . . . 1.08 111.705 177.463 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -79.45 -40.17 16.39 Favored Glycine 0 CA--C 1.519 0.299 0 C-N-CA 120.321 -0.942 . . . . 0.26 112.167 179.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 542' ' ' LEU . . . . . 0.506 ' HA ' ' O ' ' A' ' 545' ' ' GLY . 87.3 mt -47.89 -45.77 62.24 Favored Pre-proline 0 CA--C 1.543 0.707 0 N-CA-C 114.923 1.453 . . . . 1.11 114.923 -175.755 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 543' ' ' PRO . . . . . 0.52 ' HD3' ' O ' ' A' ' 539' ' ' ASN . 81.3 Cg_exo -50.23 -34.38 39.64 Favored 'Trans proline' 0 C--N 1.358 1.072 0 C-N-CA 122.141 1.894 . . . . 0.22 115.188 -171.425 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -111.06 -16.53 13.47 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.771 0.656 . . . . 0.42 112.771 178.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 545' ' ' GLY . . . . . 0.521 ' CA ' ' HB1' ' A' ' 568' ' ' ALA . . . -153.94 140.91 7.84 Favored Glycine 0 CA--C 1.524 0.652 0 C-N-CA 120.832 -0.699 . . . . 1.14 112.927 175.179 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 546' ' ' LYS . . . . . 0.548 ' HB2' ' OD2' ' A' ' 614' ' ' ASP . 4.7 ttmp? -71.31 140.47 50.3 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.005 0.431 . . . . 2.18 111.944 -178.652 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 547' ' ' VAL . . . . . 0.492 ' HA ' ' O ' ' A' ' 562' ' ' GLU . 87.3 t -105.35 136.28 39.98 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.561 0 CA-C-N 115.333 -0.849 . . . . 1.06 109.695 178.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 66.0 p -107.05 -38.45 6.02 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 120.633 -0.427 . . . . 1.05 110.881 177.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -147.24 166.28 27.51 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.258 -0.428 . . . . 1.46 110.194 -172.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 47.6 p90 -150.01 151.4 33.24 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.745 0.307 . . . . 0.99 110.99 179.297 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 34.9 mt -131.38 124.84 55.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 109.132 -0.692 . . . . 1.19 109.132 173.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 552' ' ' LEU . . . . . . . . . . . . . 65.0 mt -111.33 111.57 22.72 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.319 -0.4 . . . . 1.21 111.425 -175.031 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 64.8 mtt -108.1 86.52 2.31 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.534 0.683 . . . . 1.46 109.85 175.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -67.65 -29.37 68.66 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.173 -0.922 . . . . 1.98 110.453 -178.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 61.1 p -59.27 -35.95 74.65 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.553 -0.748 . . . . 1.26 111.515 178.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 556' ' ' THR . . . . . 0.447 ' O ' ' HG2' ' A' ' 558' ' ' GLN . 70.1 p -100.3 5.13 44.5 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.659 0.266 . . . . 1.41 111.212 178.651 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 57.4 42.85 24.13 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 115.701 -0.681 . . . . 2.35 110.464 -177.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 558' ' ' GLN . . . . . 0.447 ' HG2' ' O ' ' A' ' 556' ' ' THR . 11.9 mm100 -138.42 150.69 46.76 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.29 -0.413 . . . . 2.3 110.704 -174.422 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -129.94 143.85 51.01 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.338 -0.392 . . . . 1.06 110.436 177.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 560' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -122.31 132.72 54.54 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.938 -0.574 . . . . 0.45 109.697 179.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 561' ' ' LEU . . . . . 0.413 ' HB3' ' HE3' ' A' ' 563' ' ' MET . 14.2 tp -126.76 133.55 50.82 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 116.177 -0.465 . . . . 1.06 110.024 -172.611 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 562' ' ' GLU . . . . . 0.492 ' O ' ' HA ' ' A' ' 547' ' ' VAL . 8.1 tp10 -101.62 138.82 38.1 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 122.627 0.371 . . . . 1.85 111.044 -175.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 563' ' ' MET . . . . . 0.692 ' HE2' ' SD ' ' A' ' 572' ' ' MET . 0.4 OUTLIER -113.94 139.82 48.9 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.741 0.781 . . . . 1.16 111.636 -178.415 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -63.69 -30.26 71.38 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 114.718 -1.128 . . . . 1.13 111.581 -177.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -131.41 140.94 49.75 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.504 -0.925 . . . . 1.44 108.504 -177.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 566' ' ' THR . . . . . 0.479 ' O ' ' HG3' ' A' ' 570' ' ' GLN . 9.9 t -65.16 -31.61 72.88 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.296 -0.411 . . . . 1.18 110.334 -179.607 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -66.58 -34.29 77.56 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-O 120.828 0.347 . . . . 1.91 110.481 175.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 568' ' ' ALA . . . . . 0.521 ' HB1' ' CA ' ' A' ' 545' ' ' GLY . . . -62.8 -44.77 95.3 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.009 -0.541 . . . . 1.07 110.296 -179.111 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -67.89 -45.29 74.86 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.795 -0.639 . . . . 1.06 111.27 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 570' ' ' GLN . . . . . 0.623 ' O ' ' HG2' ' A' ' 574' ' ' GLN . 76.5 mt-30 -64.52 -47.36 79.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.274 -0.421 . . . . 1.35 110.905 -179.03 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -62.72 -43.72 98.08 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 116.04 -0.527 . . . . 1.09 111.723 -175.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 572' ' ' MET . . . . . 0.692 ' SD ' ' HE2' ' A' ' 563' ' ' MET . 14.8 ptp -65.75 -45.04 84.05 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 116.378 -0.373 . . . . 1.11 110.694 -177.269 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 573' ' ' VAL . . . . . 0.506 ' CG1' ' HA ' ' A' ' 591' ' ' ARG . 51.4 t -66.88 -38.37 81.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.353 -0.385 . . . . 1.05 111.672 -175.354 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 574' ' ' GLN . . . . . 0.623 ' HG2' ' O ' ' A' ' 570' ' ' GLN . 15.5 mm100 -60.1 -36.49 77.53 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.511 -0.552 . . . . 2.38 109.511 177.446 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 47.8 t80 -69.29 -48.94 60.21 Favored 'General case' 0 C--O 1.217 -0.654 0 CA-C-N 116.114 -0.494 . . . . 0.99 110.86 173.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 576' ' ' TYR . . . . . 0.502 ' CE1' ' HB2' ' A' ' 572' ' ' MET . 20.8 m-85 -74.7 -17.07 60.72 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 112.814 0.672 . . . . 0.38 112.814 -172.554 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -79.35 -25.0 42.35 Favored 'General case' 0 C--N 1.315 -0.915 0 C-N-CA 120.232 -0.587 . . . . 1.86 110.461 173.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -96.08 -39.13 9.88 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.117 -0.492 . . . . 2.07 111.017 177.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 53.7 mtpt -131.22 83.0 61.28 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 115.804 -0.635 . . . . 2.57 109.685 174.388 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_exo -70.58 159.59 52.28 Favored 'Trans proline' 0 C--O 1.234 0.32 0 C-N-CA 123.238 2.625 . . . . 0.21 112.331 -175.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -93.08 148.77 21.73 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.389 -0.369 . . . . 1.02 110.48 -175.116 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 56.0 mt -122.01 132.98 69.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.37 -0.377 . . . . 1.16 111.646 -172.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 583' ' ' ILE . . . . . . . . . . . . . 55.7 mt -121.34 116.07 48.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.018 -0.537 . . . . 1.42 110.518 173.034 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 59.33 38.0 23.23 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 116.102 -0.499 . . . . 1.7 111.31 176.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 84.36 -0.09 89.36 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.589 -0.815 . . . . 0.69 112.733 178.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -100.64 125.6 47.06 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.516 -0.549 . . . . 1.93 109.516 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -86.63 110.07 19.6 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.217 -0.447 . . . . 2.64 110.491 -177.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 588' ' ' LEU . . . . . . . . . . . . . 27.2 mt -85.45 123.35 30.79 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.411 -0.589 . . . . 1.09 109.411 178.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 589' ' ' LEU . . . . . 0.453 ' HB3' ' SG ' ' A' ' 525' ' ' CYS . 43.7 tp -83.63 108.0 16.44 Favored 'General case' 0 N--CA 1.433 -1.301 0 N-CA-C 107.843 -1.169 . . . . 1.1 107.843 170.44 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 590' ' ' ILE . . . . . . . . . . . . . 55.0 mt -95.54 114.85 33.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 N-CA-C 107.616 -1.253 . . . . 1.04 107.616 177.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 591' ' ' ARG . . . . . 0.506 ' HA ' ' CG1' ' A' ' 573' ' ' VAL . 15.3 ptm180 -148.63 164.02 35.54 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.155 0.502 . . . . 3.66 112.264 -169.788 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 592' ' ' MET . . . . . 0.43 ' HG2' HG13 ' A' ' 573' ' ' VAL . 0.4 OUTLIER -63.44 135.96 57.28 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.463 -0.789 . . . . 1.06 110.566 -176.255 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 40.2 t -86.56 130.51 34.47 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.69 -0.485 . . . . 1.57 109.69 176.353 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 20.2 p -92.5 -22.03 19.8 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.188 -0.46 . . . . 2.17 110.887 179.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 13.5 mtm180 -82.32 -41.31 20.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 3.39 110.984 -175.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -107.2 133.36 51.9 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.45 -0.341 . . . . 1.27 110.336 -175.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 51.1 mtmt -91.72 -29.33 16.89 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.081 -0.509 . . . . 3.84 110.136 175.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -159.89 151.11 19.52 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.347 -0.842 . . . . 2.02 109.288 -179.216 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 599' ' ' LEU . . . . . . . . . . . . . 87.2 mt -91.24 103.91 16.52 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.196 0.522 . . . . 1.09 110.329 179.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 63.4 mt-30 -89.73 86.93 6.81 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.415 -0.811 . . . . 3.46 109.723 -177.342 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 36.1 mt -73.45 124.37 25.68 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.23 0.538 . . . . 1.47 110.579 -178.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 602' ' ' LYS . . . . . 0.575 ' H ' ' HD2' ' A' ' 602' ' ' LYS . 0.0 OUTLIER -101.42 31.91 3.54 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 121.874 0.845 . . . . 5.81 109.183 177.773 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 48.5 mtmt -127.5 149.44 70.09 Favored Pre-proline 0 C--N 1.324 -0.541 0 CA-C-N 114.558 -1.201 . . . . 6.08 109.282 179.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 604' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_exo -62.28 128.48 23.96 Favored 'Trans proline' 0 C--O 1.233 0.259 0 C-N-CA 122.359 2.04 . . . . 6.24 111.162 175.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 605' ' ' GLY . . . . . . . . . . . . . . . -163.85 178.57 39.24 Favored Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 120.393 -0.908 . . . . 6.9 112.34 -178.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . 0.545 ' HA ' ' HE3' ' A' ' 606' ' ' LYS . 0.0 OUTLIER 64.95 33.96 9.39 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 122.868 0.467 . . . . 9.18 111.231 179.381 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -113.06 134.3 54.59 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.081 -0.509 . . . . 9.69 109.935 177.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 47.8 t 71.38 -58.35 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 O-C-N 123.699 0.625 . . . . 9.96 111.23 -179.071 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -72.55 91.68 1.43 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.335 0.588 . . . . 9.72 110.639 179.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -82.89 101.49 11.04 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.797 -0.638 . . . . 9.52 109.862 176.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 51.0 mt -77.25 59.89 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-O 122.18 0.991 . . . . 8.52 109.365 178.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 612' ' ' ILE . . . . . 0.503 HG23 ' O ' ' A' ' 612' ' ' ILE . 38.4 mt -117.41 28.76 2.87 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.696 0 CA-C-O 122.61 1.195 . . . . 9.1 109.115 -178.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -100.58 76.86 1.86 Allowed 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 114.363 -1.29 . . . . 10.72 109.182 178.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 614' ' ' ASP . . . . . 0.548 ' OD2' ' HB2' ' A' ' 546' ' ' LYS . 24.0 t70 175.5 136.65 0.05 OUTLIER 'General case' 0 N--CA 1.439 -1.011 0 N-CA-C 108.514 -0.921 . . . . 10.41 108.514 -168.31 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 615' ' ' ILE . . . . . 0.505 ' O ' ' HB2' ' A' ' 616' ' ' HIS . 15.5 tt -51.46 159.55 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.308 -1.229 0 CA-C-N 115.139 -0.937 . . . . 8.92 111.635 176.148 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 616' ' ' HIS . . . . . 0.505 ' HB2' ' O ' ' A' ' 615' ' ' ILE . 36.1 m80 77.92 18.94 1.15 Allowed 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.604 0.762 . . . . 7.47 111.086 -178.64 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 32.9 m -104.69 -63.49 1.21 Allowed 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.689 -0.232 . . . . 6.99 110.882 179.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 618' ' ' GLN . . . . . 0.415 ' O ' ' HB2' ' A' ' 619' ' ' ARG . 27.8 mt-30 63.01 91.24 0.07 Allowed 'General case' 0 C--O 1.237 0.427 0 O-C-N 123.819 0.7 . . . . 9.92 111.33 -177.261 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 619' ' ' ARG . . . . . 0.415 ' HB2' ' O ' ' A' ' 618' ' ' GLN . 54.7 mtm180 74.67 131.33 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 115.017 -0.992 . . . . 13.6 111.947 176.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 620' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -74.27 127.95 34.28 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.866 -0.606 . . . . 11.34 110.406 177.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 32.6 mmm180 . . . . . 0 C--O 1.247 0.946 0 CA-C-O 118.282 -0.866 . . . . 11.92 109.912 -179.442 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.834 0 N-CA-C 111.655 -0.578 . . . . 7.0 111.655 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . -56.89 -71.78 0.09 Allowed 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.715 0.293 . . . . 5.89 111.189 -177.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 512' ' ' MET . . . . . 0.5 ' HB2' ' OD1' ' A' ' 549' ' ' ASN . 2.1 mpt? -105.21 14.86 28.38 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.284 0.564 . . . . 6.52 110.047 176.132 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 513' ' ' ALA . . . . . 0.577 ' HB3' ' ND2' ' A' ' 549' ' ' ASN . . . -101.89 114.24 28.16 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.526 -0.761 . . . . 2.69 110.598 -179.257 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 514' ' ' GLN . . . . . 0.477 ' C ' ' H ' ' A' ' 516' ' ' LYS . 23.4 mp0 -69.08 -22.38 64.0 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-N 115.321 -0.854 . . . . 5.85 110.656 179.101 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 515' ' ' ARG . . . . . 0.417 ' HB2' ' O ' ' A' ' 514' ' ' GLN . 52.6 mtp180 74.21 -35.42 0.3 Allowed 'General case' 0 N--CA 1.463 0.22 0 O-C-N 124.373 1.045 . . . . 7.19 109.057 -166.489 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 516' ' ' LYS . . . . . 0.477 ' H ' ' C ' ' A' ' 514' ' ' GLN . 9.6 mttm 71.71 18.87 5.12 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.335 -0.848 . . . . 5.61 111.094 164.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . 80.21 -16.19 14.01 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.766 -0.73 . . . . 3.59 111.607 -175.167 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 518' ' ' ALA . . . . . 0.427 ' H ' ' C ' ' A' ' 516' ' ' LYS . . . -173.03 -69.47 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.159 -0.682 . . . . 2.73 109.159 -176.828 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 76.57 158.56 8.59 Favored Glycine 0 N--CA 1.448 -0.511 0 CA-C-N 115.612 -0.722 . . . . 2.08 113.794 172.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 87.4 mtt180 -141.76 142.52 33.25 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.39 -0.405 . . . . 3.0 110.083 176.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 69.1 t -110.21 136.25 46.76 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 115.725 -0.671 . . . . 1.08 109.717 175.098 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 522' ' ' VAL . . . . . 0.44 HG22 ' HE1' ' A' ' 592' ' ' MET . 68.5 t -101.64 134.81 40.94 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 N-CA-C 110.042 -0.355 . . . . 1.07 110.042 178.585 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 13.5 p-80 -112.88 139.89 48.14 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.34 0.59 . . . . 2.21 110.86 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 524' ' ' ILE . . . . . 0.479 HD13 HG12 ' A' ' 537' ' ' VAL . 69.1 mt -115.92 131.47 68.26 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.872 0 CA-C-N 115.105 -0.952 . . . . 1.06 110.196 -179.62 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 20.7 m -113.81 175.01 5.65 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.062 -0.517 . . . . 2.22 110.671 -174.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 16.1 m120 64.33 31.28 12.96 Favored 'General case' 0 N--CA 1.465 0.309 0 O-C-N 123.628 0.58 . . . . 1.74 111.53 177.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 85.3 mt -86.39 120.48 72.18 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 116.375 -0.375 . . . . 1.09 110.762 -178.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 528' ' ' PRO . . . . . 0.615 ' HD2' ' SG ' ' A' ' 532' ' ' CYS . 36.1 Cg_endo -68.34 131.94 24.54 Favored 'Trans proline' 0 C--O 1.237 0.427 0 C-N-CA 122.654 2.236 . . . . 0.88 112.474 177.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.67 133.07 47.91 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.451 -0.795 . . . . 2.98 111.247 177.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 87.01 -17.69 40.19 Favored Glycine 0 N--CA 1.445 -0.735 0 C-N-CA 120.667 -0.778 . . . . 0.97 113.606 175.32 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 10.0 t -105.11 -36.27 7.33 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 117.648 0.724 . . . . 1.63 111.143 -178.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 532' ' ' CYS . . . . . 0.615 ' SG ' ' HD2' ' A' ' 528' ' ' PRO . 82.0 m -86.77 128.74 35.04 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.853 0.359 . . . . 1.73 110.879 175.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 81.6 p -106.51 170.94 7.63 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.995 -0.548 . . . . 1.27 109.815 177.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -51.65 -45.4 63.33 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.212 0.53 . . . . 1.32 110.241 178.331 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 17.5 m-80 -60.28 -43.39 96.26 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.069 -0.969 . . . . 2.62 112.205 -173.036 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 536' ' ' ASP . . . . . 0.501 ' O ' ' HG ' ' A' ' 540' ' ' LEU . 31.9 m-20 -62.44 -46.64 87.63 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 121.112 0.482 . . . . 0.52 110.774 -172.178 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 537' ' ' VAL . . . . . 0.479 HG12 HD13 ' A' ' 524' ' ' ILE . 59.4 t -62.25 -40.79 89.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.205 -0.907 . . . . 1.07 110.138 -178.272 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 86.7 mt -66.86 -42.82 89.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.659 -0.701 . . . . 1.07 110.485 177.499 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -61.55 -29.08 69.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.769 -0.65 . . . . 1.74 111.95 -179.074 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 540' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 536' ' ' ASP . 42.9 mt -73.05 -38.93 66.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.703 -0.226 . . . . 1.08 111.472 -179.288 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -76.71 -39.73 28.46 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.617 -0.802 . . . . 0.26 112.83 -176.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 542' ' ' LEU . . . . . 0.436 ' HA ' ' O ' ' A' ' 545' ' ' GLY . 79.8 mt -47.71 -45.28 59.52 Favored Pre-proline 0 N--CA 1.471 0.608 0 N-CA-C 114.707 1.373 . . . . 1.11 114.707 -173.13 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_exo -47.44 -34.09 18.68 Favored 'Trans proline' 0 C--N 1.36 1.135 0 C-N-CA 122.247 1.965 . . . . 0.22 115.188 -173.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 544' ' ' PHE . . . . . 0.496 ' HB2' ' CB ' ' A' ' 572' ' ' MET . 67.7 m-85 -111.42 -19.52 12.56 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.036 -0.665 . . . . 0.42 112.766 176.255 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 545' ' ' GLY . . . . . 0.436 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . -149.25 126.15 2.17 Favored Glycine 0 CA--C 1.521 0.434 0 C-N-CA 120.503 -0.856 . . . . 1.14 113.801 177.719 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 546' ' ' LYS . . . . . 0.431 ' O ' ' HA ' ' A' ' 563' ' ' MET . 55.7 tptt -57.01 140.24 49.65 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 123.144 0.578 . . . . 2.18 111.31 174.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 547' ' ' VAL . . . . . 0.452 ' HA ' ' O ' ' A' ' 562' ' ' GLU . 90.1 t -100.0 135.28 36.38 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.474 0 CA-C-N 115.892 -0.595 . . . . 1.06 110.855 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 32.6 p -107.52 -32.38 7.73 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.238 -0.437 . . . . 1.05 111.612 176.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 549' ' ' ASN . . . . . 0.577 ' ND2' ' HB3' ' A' ' 513' ' ' ALA . 70.2 m-20 -146.91 165.09 30.84 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-N 116.371 -0.377 . . . . 1.46 110.728 -175.656 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 47.1 p90 -151.42 149.16 28.97 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.255 -0.429 . . . . 0.99 109.985 173.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 14.8 mt -138.62 124.36 23.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 N-CA-C 109.211 -0.662 . . . . 1.19 109.211 175.172 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 552' ' ' LEU . . . . . . . . . . . . . 85.3 mt -103.91 112.85 25.99 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.976 -0.557 . . . . 1.21 111.401 -173.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 25.3 mmt -107.32 84.22 1.94 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.545 0.688 . . . . 1.46 109.416 174.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 31.9 mmtp -68.72 -29.01 67.34 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.382 -0.826 . . . . 1.98 110.768 -178.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 67.3 p -61.82 -32.11 72.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.766 -0.652 . . . . 1.26 111.697 179.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 70.2 p -103.9 9.3 36.82 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 120.994 0.426 . . . . 1.41 110.856 178.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 56.68 40.27 29.32 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 115.104 -0.953 . . . . 2.35 111.723 178.047 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -145.85 157.71 43.9 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-O 121.104 0.478 . . . . 2.3 110.917 -176.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -129.98 143.84 51.01 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 116.177 -0.465 . . . . 1.06 110.395 178.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 560' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -111.78 128.64 56.16 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.18 -0.463 . . . . 0.45 109.816 178.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 15.9 tp -124.11 131.1 53.51 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 115.947 -0.57 . . . . 1.06 109.839 -175.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 562' ' ' GLU . . . . . 0.452 ' O ' ' HA ' ' A' ' 547' ' ' VAL . 27.8 tt0 -102.36 137.77 40.17 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.571 0.224 . . . . 1.85 110.504 -177.743 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 563' ' ' MET . . . . . 0.746 ' HE2' ' SD ' ' A' ' 572' ' ' MET . 0.5 OUTLIER -107.08 151.58 25.17 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.439 -0.346 . . . . 1.16 111.004 -179.429 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -60.09 -43.2 95.7 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.059 0.457 . . . . 1.13 110.943 -177.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -118.57 151.66 37.47 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.652 -0.704 . . . . 1.44 109.112 -179.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 566' ' ' THR . . . . . 0.546 ' O ' ' HG3' ' A' ' 570' ' ' GLN . 9.3 t -61.8 -38.76 89.3 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.098 0.475 . . . . 1.18 109.977 175.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -66.52 -31.65 72.51 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 115.828 -0.624 . . . . 1.91 111.307 178.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 568' ' ' ALA . . . . . 0.421 ' HB3' ' CA ' ' A' ' 545' ' ' GLY . . . -61.66 -41.8 98.03 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.214 0.53 . . . . 1.07 109.574 177.084 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . 0.425 ' O ' ' HG2' ' A' ' 572' ' ' MET . . . -68.65 -45.26 72.26 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.276 -0.875 . . . . 1.06 111.384 177.782 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 570' ' ' GLN . . . . . 0.546 ' HG3' ' O ' ' A' ' 566' ' ' THR . 72.6 mt-30 -67.02 -46.45 74.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.463 -0.335 . . . . 1.35 111.27 -176.294 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -62.82 -38.76 92.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.097 -0.501 . . . . 1.09 111.354 -175.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 572' ' ' MET . . . . . 0.746 ' SD ' ' HE2' ' A' ' 563' ' ' MET . 12.8 ptp -69.02 -45.77 69.63 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.688 -0.405 . . . . 1.11 110.439 -179.61 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 573' ' ' VAL . . . . . 0.504 ' N ' ' HG3' ' A' ' 572' ' ' MET . 94.8 t -67.05 -37.42 79.29 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.654 0 CA-C-N 116.27 -0.423 . . . . 1.05 111.364 -175.332 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 574' ' ' GLN . . . . . 0.436 ' HG2' ' O ' ' A' ' 570' ' ' GLN . 28.8 mm-40 -59.19 -37.4 77.32 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.318 -0.623 . . . . 2.38 109.318 176.648 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 76.8 t80 -68.94 -49.87 54.24 Favored 'General case' 0 C--O 1.217 -0.611 0 CA-C-N 116.184 -0.462 . . . . 0.99 111.161 173.361 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 576' ' ' TYR . . . . . 0.41 ' CE1' ' HB2' ' A' ' 572' ' ' MET . 23.7 m-85 -73.98 -17.28 61.02 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 112.983 0.734 . . . . 0.38 112.983 -172.787 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -74.13 -29.04 61.62 Favored 'General case' 0 C--N 1.317 -0.819 0 C-N-CA 120.585 -0.446 . . . . 1.86 110.386 173.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -97.77 -39.78 8.87 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.225 -0.443 . . . . 2.07 111.205 178.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 52.1 mtpt -130.1 82.91 64.88 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-N 115.988 -0.551 . . . . 2.57 109.784 176.306 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -70.36 160.61 48.95 Favored 'Trans proline' 0 CA--C 1.53 0.281 0 C-N-CA 123.868 3.045 . . . . 0.21 112.632 -175.142 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -92.17 148.51 22.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.375 -0.375 . . . . 1.02 110.654 -174.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 66.2 mt -113.79 130.17 68.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 112.288 0.477 . . . . 1.16 112.288 -170.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 583' ' ' ILE . . . . . . . . . . . . . 45.4 mt -122.01 123.09 68.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.018 -0.537 . . . . 1.42 109.82 170.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 59.26 34.42 23.03 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 122.9 0.48 . . . . 1.7 111.482 177.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 81.15 3.41 90.67 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.777 -0.725 . . . . 0.69 112.624 -179.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -103.32 126.85 50.7 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.874 0.369 . . . . 1.93 110.293 179.24 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 57.3 mttm -84.44 107.54 16.75 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.11 -0.495 . . . . 2.64 109.897 -179.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 588' ' ' LEU . . . . . 0.415 HD12 ' CD1' ' A' ' 540' ' ' LEU . 60.6 mt -85.02 129.05 34.86 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 116.185 -0.461 . . . . 1.09 109.942 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 36.8 tp -82.44 109.32 16.57 Favored 'General case' 0 N--CA 1.436 -1.173 0 N-CA-C 108.607 -0.886 . . . . 1.1 108.607 174.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 590' ' ' ILE . . . . . . . . . . . . . 58.5 mt -95.44 115.37 34.25 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 N-CA-C 107.786 -1.19 . . . . 1.04 107.786 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 591' ' ' ARG . . . . . 0.471 ' HA ' ' CG1' ' A' ' 573' ' ' VAL . 27.9 ptt180 -142.44 157.22 44.99 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 113.602 0.964 . . . . 3.66 113.602 -168.661 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 592' ' ' MET . . . . . 0.466 ' HG2' HG12 ' A' ' 573' ' ' VAL . 0.2 OUTLIER -66.77 132.18 47.52 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 114.607 -1.179 . . . . 1.06 111.254 -174.665 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 15.0 m -87.49 130.65 34.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.747 0.308 . . . . 1.57 110.555 174.32 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 11.2 p -89.49 -26.57 20.85 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.127 0.489 . . . . 2.17 110.483 176.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 78.9 mtp180 -74.6 -41.31 60.67 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.729 -0.669 . . . . 3.39 111.453 -179.044 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -106.95 129.89 54.69 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.05 0.452 . . . . 1.27 111.461 -176.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 50.9 mtmt -94.81 -38.04 10.94 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.837 0.827 . . . . 3.84 109.589 167.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -145.19 146.35 31.71 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.536 -1.211 . . . . 2.02 109.949 -173.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 599' ' ' LEU . . . . . . . . . . . . . 95.3 mt -93.95 108.06 19.9 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.254 0.55 . . . . 1.09 110.995 178.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 21.1 mm-40 -89.21 89.9 8.13 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.735 -0.666 . . . . 3.46 110.057 177.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 84.7 mt -61.19 122.1 14.21 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.448 -0.796 . . . . 1.47 110.373 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -81.18 68.14 7.37 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.459 0.647 . . . . 5.81 110.873 -176.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 44.2 mmtm -91.87 143.66 28.12 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-N 115.218 -0.901 . . . . 6.08 110.126 177.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 604' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -67.24 -17.87 50.29 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.875 2.383 . . . . 6.24 112.767 179.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 605' ' ' GLY . . . . . 0.405 ' O ' ' HB2' ' A' ' 606' ' ' LYS . . . -99.31 -51.11 1.36 Allowed Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.864 -0.684 . . . . 6.9 112.429 179.057 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . 0.405 ' HB2' ' O ' ' A' ' 605' ' ' GLY . 35.2 mmtp 71.21 -71.76 0.13 Allowed 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 123.411 0.684 . . . . 9.18 110.871 -178.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -82.23 128.35 34.09 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.926 -0.579 . . . . 9.69 110.28 -178.318 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 38.7 t -67.5 -52.13 44.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 108.332 -0.988 . . . . 9.96 108.332 172.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -138.79 -47.12 0.49 Allowed 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 115.072 -0.967 . . . . 9.72 109.762 167.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -162.76 105.35 1.06 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.882 -0.599 . . . . 9.52 110.814 -179.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . 0.413 HG22 HE21 ' A' ' 618' ' ' GLN . 72.1 mt -75.94 91.4 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 121.196 0.522 . . . . 8.52 110.13 179.736 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 612' ' ' ILE . . . . . . . . . . . . . 64.7 mt -99.97 96.42 4.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 121.315 0.578 . . . . 9.1 110.591 -179.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -85.56 83.98 7.74 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.51 -0.768 . . . . 10.72 109.644 177.427 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -70.24 -77.34 0.09 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.833 -0.621 . . . . 10.41 111.113 -176.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 615' ' ' ILE . . . . . . . . . . . . . 46.3 mm -101.12 -70.31 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 109.332 -0.618 . . . . 8.92 109.332 175.434 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 35.7 m80 -134.64 -55.45 0.83 Allowed 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.781 -0.822 . . . . 7.47 108.781 171.306 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 19.3 m -58.78 131.86 52.19 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 115.257 -0.883 . . . . 6.99 110.948 178.288 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 618' ' ' GLN . . . . . 0.413 HE21 HG22 ' A' ' 611' ' ' ILE . 43.7 mt-30 -81.17 -75.69 0.27 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.549 -0.75 . . . . 9.92 109.709 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 83.3 mtt180 52.48 61.25 3.29 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.784 -0.644 . . . . 13.6 112.329 174.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 620' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -69.36 139.51 54.19 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.962 -0.295 . . . . 11.34 110.496 176.403 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 80.8 mtm180 . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.774 -0.632 . . . . 11.92 111.083 -179.582 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.579 0 N-CA-C 111.993 -0.443 . . . . 7.0 111.993 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . -98.02 22.55 9.21 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.902 0.382 . . . . 5.89 110.846 -179.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 512' ' ' MET . . . . . 0.56 ' SD ' ' HA ' ' A' ' 604' ' ' PRO . 27.1 ttt -64.16 -35.05 79.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.879 -0.6 . . . . 6.52 111.236 -177.292 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -144.82 -173.12 3.98 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.384 -0.371 . . . . 2.69 110.895 177.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 514' ' ' GLN . . . . . . . . . . . . . 77.3 mm-40 72.75 111.66 0.06 Allowed 'General case' 0 CA--C 1.516 -0.336 0 O-C-N 124.316 1.01 . . . . 5.85 110.962 176.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 515' ' ' ARG . . . . . 0.424 ' NE ' ' HA ' ' A' ' 615' ' ' ILE . 31.9 mmt180 -126.46 -32.58 2.65 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.158 -0.928 . . . . 7.19 110.699 -176.391 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 32.8 mmtp -94.5 14.39 20.94 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.168 -0.469 . . . . 5.61 111.732 174.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . 56.89 34.08 64.71 Favored Glycine 0 C--N 1.33 0.225 0 C-N-CA 121.162 -0.542 . . . . 3.59 112.486 -179.06 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 518' ' ' ALA . . . . . . . . . . . . . . . -154.72 -73.0 0.12 Allowed 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.809 -0.441 . . . . 2.73 109.809 -176.211 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 68.85 169.37 5.81 Favored Glycine 0 N--CA 1.451 -0.357 0 CA-C-N 115.819 -0.628 . . . . 2.08 113.038 175.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 59.6 mtt180 -155.31 141.57 18.52 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.999 -0.371 . . . . 3.0 109.999 178.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 99.0 t -95.35 131.32 42.47 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.793 0 CA-C-N 116.006 -0.543 . . . . 1.08 109.564 176.013 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 522' ' ' VAL . . . . . . . . . . . . . 61.0 t -101.72 133.21 45.86 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.083 0 CA-C-N 115.512 -0.767 . . . . 1.07 109.599 177.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 12.4 t-80 -106.28 121.12 43.57 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.891 -0.595 . . . . 2.21 109.658 -177.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 524' ' ' ILE . . . . . . . . . . . . . 77.6 mt -103.2 126.95 57.48 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.87 0 CA-C-N 115.998 -0.546 . . . . 1.06 109.847 -179.18 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 34.6 m -114.84 173.75 6.32 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.653 -0.703 . . . . 2.22 110.982 -174.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 19.0 m120 65.03 27.88 12.52 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 115.566 -0.743 . . . . 1.74 111.115 178.255 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 527' ' ' LEU . . . . . 0.566 ' O ' ' HB3' ' A' ' 557' ' ' ASN . 80.4 mt -80.26 120.65 80.18 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-O 120.802 0.334 . . . . 1.09 111.112 -177.367 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 528' ' ' PRO . . . . . 0.539 ' HD2' ' SG ' ' A' ' 532' ' ' CYS . 28.3 Cg_endo -69.67 130.85 20.17 Favored 'Trans proline' 0 C--O 1.238 0.499 0 C-N-CA 122.31 2.007 . . . . 0.88 111.858 172.472 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 529' ' ' GLU . . . . . 0.431 ' HB3' ' OD1' ' A' ' 557' ' ' ASN . 1.0 OUTLIER -69.24 137.69 53.35 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.442 -0.345 . . . . 2.98 110.613 177.432 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 79.0 -18.02 6.6 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 121.125 -0.559 . . . . 0.97 113.109 177.04 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 531' ' ' SER . . . . . 0.458 ' HB3' ' ND2' ' A' ' 584' ' ' ASN . 14.7 m -92.11 -35.18 14.03 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.122 0.487 . . . . 1.63 110.522 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 532' ' ' CYS . . . . . 0.539 ' SG ' ' HD2' ' A' ' 528' ' ' PRO . 38.8 m -86.52 131.32 34.21 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.806 -0.634 . . . . 1.73 110.893 -179.463 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 44.0 p -106.11 167.18 9.98 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.277 -0.638 . . . . 1.27 109.277 174.141 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -57.17 -45.4 83.69 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.266 0.555 . . . . 1.32 109.801 178.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -62.66 -43.18 99.46 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.087 -0.96 . . . . 2.62 111.767 -176.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 536' ' ' ASP . . . . . 0.571 ' O ' ' HG ' ' A' ' 540' ' ' LEU . 50.1 m-20 -60.63 -47.4 86.41 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 120.834 0.35 . . . . 0.52 110.95 -177.796 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 76.1 t -62.48 -44.52 99.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.753 -0.658 . . . . 1.07 110.703 -177.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 90.1 mt -64.13 -42.98 97.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.966 -0.561 . . . . 1.07 110.648 177.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 539' ' ' ASN . . . . . 0.553 ' O ' ' HD3' ' A' ' 543' ' ' PRO . 83.5 m-20 -61.33 -28.3 69.11 Favored 'General case' 0 C--O 1.223 -0.325 0 CA-C-N 115.779 -0.646 . . . . 1.74 111.737 -179.452 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 540' ' ' LEU . . . . . 0.571 ' HG ' ' O ' ' A' ' 536' ' ' ASP . 44.9 mt -74.74 -33.83 62.42 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.172 0.434 . . . . 1.08 112.172 -178.433 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -79.07 -38.42 22.67 Favored Glycine 0 N--CA 1.453 -0.195 0 C-N-CA 120.15 -1.024 . . . . 0.26 112.165 -179.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 542' ' ' LEU . . . . . . . . . . . . . 62.2 mt -49.1 -45.64 75.2 Favored Pre-proline 0 CA--C 1.55 0.964 0 N-CA-C 115.449 1.648 . . . . 1.11 115.449 -176.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 543' ' ' PRO . . . . . 0.553 ' HD3' ' O ' ' A' ' 539' ' ' ASN . 99.4 Cg_exo -51.93 -34.66 57.11 Favored 'Trans proline' 0 C--N 1.357 0.996 0 C-N-CA 122.369 2.046 . . . . 0.22 115.941 -168.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -110.59 -17.74 13.34 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 119.888 -0.725 . . . . 0.42 112.941 179.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 545' ' ' GLY . . . . . 0.507 ' CA ' ' HB3' ' A' ' 568' ' ' ALA . . . -125.7 -145.67 6.51 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.574 -0.822 . . . . 1.14 113.379 177.741 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 546' ' ' LYS . . . . . 0.587 ' O ' ' HA ' ' A' ' 563' ' ' MET . 40.0 tptt -144.46 125.3 14.28 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.266 -0.467 . . . . 2.18 110.585 178.092 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 94.8 t -91.51 136.0 25.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 116.484 -0.325 . . . . 1.06 110.901 179.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 45.0 p -107.94 -40.07 5.35 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.176 -0.466 . . . . 1.05 110.925 175.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -164.13 168.93 18.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.612 -0.722 . . . . 1.46 109.497 -179.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 53.0 p90 -141.32 151.33 43.52 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.016 0.436 . . . . 0.99 111.735 -173.299 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 15.9 mt -126.38 122.34 61.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 108.659 -0.867 . . . . 1.19 108.659 168.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 552' ' ' LEU . . . . . . . . . . . . . 60.8 mt -113.07 120.06 40.02 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 116.17 -0.468 . . . . 1.21 111.783 -174.352 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 22.3 mmt -106.49 85.63 2.21 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.013 -0.736 . . . . 1.46 109.013 174.199 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.68 -29.45 67.9 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.476 -0.564 . . . . 1.98 109.476 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 64.2 p -63.19 -27.23 69.22 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.298 -0.865 . . . . 1.26 112.018 -179.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 556' ' ' THR . . . . . 0.406 ' O ' ' HG2' ' A' ' 558' ' ' GLN . 66.8 p -112.57 2.11 16.09 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.045 0.45 . . . . 1.41 110.506 -178.362 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 557' ' ' ASN . . . . . 0.566 ' HB3' ' O ' ' A' ' 527' ' ' LEU . 87.9 m-20 57.22 41.17 27.32 Favored 'General case' 0 CA--C 1.521 -0.166 0 CA-C-N 114.886 -1.052 . . . . 2.35 111.306 -178.017 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 558' ' ' GLN . . . . . 0.406 ' HG2' ' O ' ' A' ' 556' ' ' THR . 8.8 mm100 -139.9 148.54 42.18 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.219 -0.66 . . . . 2.3 109.219 -177.816 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -131.26 150.67 52.05 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.257 0.465 . . . . 1.06 112.257 -174.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 560' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -125.2 126.63 45.52 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.543 -0.753 . . . . 0.45 109.315 176.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 14.6 tp -127.74 129.05 46.43 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 110.119 -0.326 . . . . 1.06 110.119 -175.044 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 562' ' ' GLU . . . . . 0.424 ' OE2' ' HA ' ' A' ' 598' ' ' GLU . 8.7 tp10 -99.44 137.86 37.35 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 121.061 0.457 . . . . 1.85 110.906 -174.461 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 563' ' ' MET . . . . . 0.696 ' HE3' ' SD ' ' A' ' 572' ' ' MET . 20.4 mmt -115.21 135.0 54.64 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.434 -0.803 . . . . 1.16 110.916 -173.37 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -61.6 -32.09 72.19 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 114.958 -1.019 . . . . 1.13 111.34 -177.141 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 565' ' ' TYR . . . . . 0.428 ' HB2' ' CB ' ' A' ' 568' ' ' ALA . 23.4 m-85 -123.44 132.39 53.93 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.136 -0.938 . . . . 1.44 108.804 -176.064 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 5.1 t -65.68 -38.15 88.47 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.11 -0.495 . . . . 1.18 110.955 -176.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 567' ' ' GLU . . . . . 0.47 ' CD ' ' H ' ' A' ' 567' ' ' GLU . 1.6 pm0 -68.33 -32.09 71.95 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.352 -0.385 . . . . 1.91 110.839 175.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 568' ' ' ALA . . . . . 0.507 ' HB3' ' CA ' ' A' ' 545' ' ' GLY . . . -62.14 -41.2 98.04 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.07 0.462 . . . . 1.07 110.164 177.753 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -68.08 -45.39 73.95 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.791 -0.641 . . . . 1.06 111.0 178.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 570' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -61.81 -45.69 92.77 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.872 -0.604 . . . . 1.35 111.231 179.07 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -62.27 -42.74 99.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.956 -0.565 . . . . 1.09 111.347 -176.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 572' ' ' MET . . . . . 0.696 ' SD ' ' HE3' ' A' ' 563' ' ' MET . 17.4 ptp -68.42 -46.25 70.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.459 -0.337 . . . . 1.11 110.771 -176.807 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 573' ' ' VAL . . . . . 0.437 HG13 ' HG2' ' A' ' 592' ' ' MET . 94.2 t -66.91 -37.06 78.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.607 -0.269 . . . . 1.05 111.37 -176.494 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -58.89 -37.59 76.94 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.638 -0.425 . . . . 2.38 110.008 176.082 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 60.8 t80 -69.26 -49.74 53.33 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.218 -0.446 . . . . 0.99 110.744 173.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 576' ' ' TYR . . . . . 0.459 ' CB ' ' HB ' ' A' ' 590' ' ' ILE . 21.8 m-85 -74.52 -16.76 60.82 Favored 'General case' 0 C--O 1.222 -0.369 0 N-CA-C 113.237 0.829 . . . . 0.38 113.237 -171.401 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -79.75 -26.96 40.57 Favored 'General case' 0 C--N 1.315 -0.894 0 C-N-CA 119.95 -0.7 . . . . 1.86 110.861 175.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -97.63 -38.98 9.32 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.21 0.529 . . . . 2.07 110.906 176.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -127.36 82.33 68.41 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-N 115.798 -0.637 . . . . 2.57 109.609 174.197 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_exo -71.68 160.08 49.16 Favored 'Trans proline' 0 C--O 1.233 0.259 0 C-N-CA 123.432 2.755 . . . . 0.21 112.654 -176.036 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -93.03 152.85 19.05 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.175 -0.466 . . . . 1.02 110.348 -175.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 582' ' ' ILE . . . . . 0.455 HG12 ' HG2' ' A' ' 587' ' ' LYS . 63.7 mt -116.15 133.27 63.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 N-CA-C 112.286 0.476 . . . . 1.16 112.286 -170.782 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 583' ' ' ILE . . . . . 0.402 HD13 HD13 ' A' ' 588' ' ' LEU . 29.7 mt -122.64 121.94 64.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.093 -0.503 . . . . 1.42 110.084 169.618 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 584' ' ' ASN . . . . . 0.458 ' ND2' ' HB3' ' A' ' 531' ' ' SER . 5.2 m-20 59.5 36.85 23.06 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 116.378 -0.373 . . . . 1.7 111.731 177.61 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 80.72 -0.53 85.96 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.662 -0.78 . . . . 0.69 112.887 178.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -102.25 127.23 49.31 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.845 -0.428 . . . . 1.93 109.845 -179.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 587' ' ' LYS . . . . . 0.455 ' HG2' HG12 ' A' ' 582' ' ' ILE . 99.4 mttt -82.02 113.21 19.76 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.04 0.447 . . . . 2.64 110.573 -178.514 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 588' ' ' LEU . . . . . 0.52 HD12 ' CD1' ' A' ' 540' ' ' LEU . 38.4 mt -86.67 125.02 33.57 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.812 -0.631 . . . . 1.09 110.21 -179.79 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 39.4 tp -83.39 109.52 17.38 Favored 'General case' 0 C--N 1.31 -1.14 0 N-CA-C 108.541 -0.911 . . . . 1.1 108.541 174.293 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 590' ' ' ILE . . . . . 0.459 ' HB ' ' CB ' ' A' ' 576' ' ' TYR . 45.9 mt -95.15 116.21 36.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 N-CA-C 108.698 -0.853 . . . . 1.04 108.698 179.199 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 80.0 mtp180 -124.37 157.62 34.62 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.94 -0.573 . . . . 3.66 111.913 -169.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 592' ' ' MET . . . . . 0.437 ' HG2' HG13 ' A' ' 573' ' ' VAL . 0.4 OUTLIER -72.0 127.07 31.4 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 108.612 -0.885 . . . . 1.06 108.612 171.738 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 13.1 t -84.27 131.31 34.74 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.503 -0.479 . . . . 1.57 111.434 -174.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 17.5 m -98.89 -10.18 23.19 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.5 -0.773 . . . . 2.17 109.696 173.393 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 73.0 mtt180 -81.64 -40.42 22.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.69 -0.687 . . . . 3.39 110.741 -177.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -116.3 137.11 52.42 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.081 0.467 . . . . 1.27 110.568 176.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 597' ' ' LYS . . . . . 0.47 ' C ' ' HD3' ' A' ' 597' ' ' LYS . 13.7 tmtt? -89.58 -41.21 12.12 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.556 -0.747 . . . . 3.84 109.432 176.004 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 598' ' ' GLU . . . . . 0.424 ' HA ' ' OE2' ' A' ' 562' ' ' GLU . 11.3 pt-20 -154.08 146.52 23.99 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.642 -0.708 . . . . 2.02 110.174 -179.348 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 599' ' ' LEU . . . . . . . . . . . . . 60.2 mt -91.87 126.73 37.06 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.359 -0.382 . . . . 1.09 110.338 177.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 80.9 mm-40 -126.28 87.92 2.75 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.216 -0.447 . . . . 3.46 109.936 174.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 63.8 mt -67.65 151.42 47.31 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.781 -0.645 . . . . 1.47 111.009 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 53.0 tttp -72.18 -47.63 49.3 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.231 -0.895 . . . . 5.81 110.275 179.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 50.5 mtmt -106.14 116.87 58.74 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 115.633 -0.712 . . . . 6.08 110.149 -178.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 604' ' ' PRO . . . . . 0.56 ' HA ' ' SD ' ' A' ' 512' ' ' MET . 23.3 Cg_exo -65.21 88.39 0.19 Allowed 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.912 2.408 . . . . 6.24 111.858 177.266 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 605' ' ' GLY . . . . . . . . . . . . . . . -79.19 -65.91 1.75 Allowed Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.984 -0.627 . . . . 6.9 112.71 -178.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -67.39 -59.43 3.4 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.735 0.302 . . . . 9.18 110.696 -179.111 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 28.9 m-80 -92.97 77.34 4.71 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 110.118 -0.327 . . . . 9.69 110.118 176.155 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 49.1 t -58.31 -55.41 22.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 121.261 0.553 . . . . 9.96 109.738 178.452 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -114.28 -66.81 1.05 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.453 -0.794 . . . . 9.72 109.473 173.174 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -165.17 113.54 1.02 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.984 -0.553 . . . . 9.52 110.774 178.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 69.8 mt -73.79 99.51 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 108.857 -0.794 . . . . 8.52 108.857 173.394 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 612' ' ' ILE . . . . . . . . . . . . . 62.7 mt -76.77 73.81 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 122.266 1.031 . . . . 9.1 111.483 -171.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 613' ' ' GLN . . . . . 0.538 ' HA ' HE21 ' A' ' 613' ' ' GLN . 0.0 OUTLIER -145.62 -43.98 0.21 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 113.841 -1.527 . . . . 10.72 108.267 172.902 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -133.37 81.31 1.92 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.08 -0.964 . . . . 10.41 109.817 177.279 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 615' ' ' ILE . . . . . 0.424 ' HA ' ' NE ' ' A' ' 515' ' ' ARG . 9.2 pt -129.95 44.14 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.334 0 CA-C-N 114.989 -1.005 . . . . 8.92 111.051 -177.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 51.3 m-70 -62.49 143.82 56.71 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.064 -0.516 . . . . 7.47 110.833 -179.558 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 47.0 m 74.24 -59.12 0.56 Allowed 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 123.875 0.87 . . . . 6.99 112.223 178.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 618' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -73.43 -30.7 63.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.719 0.295 . . . . 9.92 110.639 -177.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 53.4 mtp180 64.99 -171.99 0.18 Allowed 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.31 -0.859 . . . . 13.6 111.817 178.293 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 620' ' ' GLU . . . . . 0.402 ' N ' HD12 ' A' ' 615' ' ' ILE . 10.2 pt-20 -73.57 177.23 5.49 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.19 0.519 . . . . 11.34 110.836 178.139 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 621' ' ' ARG . . . . . 0.506 ' NE ' ' HA ' ' A' ' 621' ' ' ARG . 3.6 mmp_? . . . . . 0 C--O 1.246 0.921 0 CA-C-O 118.511 -0.756 . . . . 11.92 109.625 177.588 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.799 0 N-CA-C 112.354 -0.298 . . . . 7.0 112.354 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . -84.02 65.01 8.48 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.132 0.491 . . . . 5.89 110.823 -178.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 86.3 mtp -87.61 -0.14 56.45 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.413 0.625 . . . . 6.52 109.935 178.234 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -115.96 -171.26 1.95 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.362 -0.836 . . . . 2.69 109.971 179.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 514' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 55.79 55.95 6.57 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 109.106 -0.701 . . . . 5.85 109.106 -178.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -62.76 -64.61 0.87 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.361 -0.836 . . . . 7.19 112.832 -166.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -80.16 62.83 4.46 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.319 0.488 . . . . 5.61 112.319 -175.028 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . 77.58 -82.27 1.19 Allowed Glycine 0 N--CA 1.449 -0.493 0 CA-C-N 115.901 -0.591 . . . . 3.59 113.262 174.128 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 518' ' ' ALA . . . . . . . . . . . . . . . -81.68 -82.53 0.13 Allowed 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 111.523 0.194 . . . . 2.73 111.523 -175.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 78.16 144.43 2.37 Favored Glycine 0 CA--C 1.518 0.273 0 N-CA-C 111.097 -0.801 . . . . 2.08 111.097 -172.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 68.1 mtp180 -135.62 148.75 49.13 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 117.498 0.649 . . . . 3.0 111.691 -173.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 76.6 t -96.36 136.8 26.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.385 -0.825 . . . . 1.08 110.573 178.276 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 522' ' ' VAL . . . . . . . . . . . . . 59.9 t -106.47 135.07 46.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 116.103 -0.498 . . . . 1.07 110.409 177.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 523' ' ' HIS . . . . . 0.492 ' ND1' ' HA ' ' A' ' 593' ' ' SER . 2.1 p-80 -109.12 140.52 42.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.244 0.545 . . . . 2.21 110.927 177.366 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 524' ' ' ILE . . . . . 0.444 HD13 HG13 ' A' ' 537' ' ' VAL . 71.2 mt -115.66 138.54 45.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-N 115.428 -0.806 . . . . 1.06 110.495 -179.158 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 5.8 p -125.64 175.65 7.43 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.019 -0.537 . . . . 2.22 110.795 -179.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 69.69 29.23 4.24 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 123.693 0.62 . . . . 1.74 110.734 -177.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 80.1 mt -89.03 121.64 69.48 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 116.015 -0.539 . . . . 1.09 110.877 -176.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 528' ' ' PRO . . . . . 0.61 ' HD2' ' SG ' ' A' ' 532' ' ' CYS . 31.4 Cg_endo -67.68 130.92 23.06 Favored 'Trans proline' 0 N--CA 1.46 -0.48 0 C-N-CA 121.896 1.731 . . . . 0.88 111.753 174.561 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -68.68 125.3 26.11 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.616 -0.72 . . . . 2.98 111.343 -178.03 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 86.52 -18.17 35.25 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.955 -0.641 . . . . 0.97 113.346 174.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 4.4 t -93.13 -34.48 13.63 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 117.133 0.466 . . . . 1.63 110.68 -177.468 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 532' ' ' CYS . . . . . 0.61 ' SG ' ' HD2' ' A' ' 528' ' ' PRO . 70.9 m -85.07 133.17 34.24 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.521 -0.308 . . . . 1.73 110.506 177.491 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 69.6 p -104.45 170.83 7.67 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.848 -0.426 . . . . 1.27 109.848 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -54.7 -41.49 70.33 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.177 0.513 . . . . 1.32 109.783 177.305 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -61.79 -43.42 98.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.309 -0.86 . . . . 2.62 111.829 -175.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 536' ' ' ASP . . . . . 0.635 ' O ' ' HG ' ' A' ' 540' ' ' LEU . 26.2 m-20 -61.07 -48.63 80.83 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 121.151 0.5 . . . . 0.52 110.892 -175.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 537' ' ' VAL . . . . . 0.444 HG13 HD13 ' A' ' 524' ' ' ILE . 99.2 t -64.73 -44.97 96.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.357 -0.838 . . . . 1.07 110.69 -175.462 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 95.8 mt -64.01 -45.28 97.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.005 -0.543 . . . . 1.07 110.824 178.422 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 539' ' ' ASN . . . . . 0.631 ' O ' ' HD3' ' A' ' 543' ' ' PRO . 0.9 OUTLIER -64.48 -28.3 69.57 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.768 -0.651 . . . . 1.74 112.29 -176.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 540' ' ' LEU . . . . . 0.635 ' HG ' ' O ' ' A' ' 536' ' ' ASP . 53.6 mt -72.52 -32.41 66.11 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.318 0.488 . . . . 1.08 112.318 -177.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -79.69 -33.87 32.97 Favored Glycine 0 CA--C 1.518 0.235 0 C-N-CA 120.145 -1.026 . . . . 0.26 112.058 178.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 542' ' ' LEU . . . . . . . . . . . . . 68.2 mt -53.3 -39.89 75.24 Favored Pre-proline 0 CA--C 1.546 0.826 0 N-CA-C 115.526 1.676 . . . . 1.11 115.526 -175.186 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 543' ' ' PRO . . . . . 0.631 ' HD3' ' O ' ' A' ' 539' ' ' ASN . 96.8 Cg_exo -52.05 -35.28 60.93 Favored 'Trans proline' 0 C--N 1.356 0.952 0 C-N-CA 121.589 1.526 . . . . 0.22 115.07 -173.741 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -110.96 -17.73 13.23 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.9 0.704 . . . . 0.42 112.9 178.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 545' ' ' GLY . . . . . 0.5 ' HA3' ' CE ' ' A' ' 572' ' ' MET . . . -128.0 -151.12 7.49 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.797 -0.716 . . . . 1.14 113.264 179.132 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 546' ' ' LYS . . . . . 0.561 ' O ' ' HA ' ' A' ' 563' ' ' MET . 53.0 tttp -149.49 139.44 21.97 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 110.571 -0.159 . . . . 2.18 110.571 177.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 547' ' ' VAL . . . . . 0.471 ' HA ' ' O ' ' A' ' 562' ' ' GLU . 96.5 t -102.53 133.11 47.14 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.482 0 O-C-N 123.479 0.487 . . . . 1.06 111.658 -174.486 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 26.0 p -107.63 -34.44 7.0 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.608 -0.724 . . . . 1.05 111.951 176.207 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 49.9 m-80 -152.28 167.07 29.83 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 115.881 -0.6 . . . . 1.46 109.453 -178.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 550' ' ' TYR . . . . . 0.487 ' O ' HD21 ' A' ' 601' ' ' LEU . 52.1 p90 -147.12 149.68 33.5 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 121.0 -0.28 . . . . 0.99 110.723 176.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 25.4 mt -133.67 121.75 41.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 108.971 -0.751 . . . . 1.19 108.971 172.272 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 552' ' ' LEU . . . . . . . . . . . . . 82.6 mt -113.08 111.4 22.08 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.145 -0.48 . . . . 1.21 111.827 -173.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 66.1 mtt -108.75 84.48 1.94 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.464 0.649 . . . . 1.46 109.634 173.13 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -68.64 -30.34 69.03 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.406 -0.815 . . . . 1.98 111.201 -175.088 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 64.9 p -64.76 -32.02 73.52 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.125 -0.488 . . . . 1.26 111.743 -177.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 69.9 p -100.62 12.79 36.65 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 111.737 0.273 . . . . 1.41 111.737 -177.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 58.01 43.05 21.71 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 116.015 -0.539 . . . . 2.35 110.842 179.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 558' ' ' GLN . . . . . 0.516 ' HA ' HE21 ' A' ' 558' ' ' GLN . 0.0 OUTLIER -142.33 149.49 39.53 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.174 0.511 . . . . 2.3 111.225 -176.768 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 559' ' ' ALA . . . . . 0.472 ' O ' ' HA ' ' A' ' 523' ' ' HIS . . . -137.18 143.75 42.55 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.906 -0.588 . . . . 1.06 109.646 173.516 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 560' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -120.68 126.62 50.67 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.632 -0.507 . . . . 0.45 109.632 178.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 561' ' ' LEU . . . . . 0.426 HD23 ' HE2' ' A' ' 563' ' ' MET . 14.6 tp -121.89 130.64 53.51 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.967 -0.561 . . . . 1.06 109.797 -176.374 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 562' ' ' GLU . . . . . 0.471 ' O ' ' HA ' ' A' ' 547' ' ' VAL . 32.7 tt0 -99.47 137.52 37.86 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.387 -0.369 . . . . 1.85 110.255 -173.277 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 563' ' ' MET . . . . . 0.629 ' HE3' ' SD ' ' A' ' 572' ' ' MET . 20.3 mmt -115.84 135.45 53.99 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.427 0.632 . . . . 1.16 111.546 -172.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -61.76 -31.18 71.35 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-N 114.779 -1.101 . . . . 1.13 111.754 -177.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 50.0 m-85 -131.14 141.05 50.06 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.674 -0.694 . . . . 1.44 109.561 -175.457 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 8.8 t -66.19 -30.78 71.32 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.934 -0.575 . . . . 1.18 110.351 178.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -66.67 -37.19 84.27 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.073 0.463 . . . . 1.91 109.999 175.074 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 568' ' ' ALA . . . . . 0.494 ' HB2' ' CA ' ' A' ' 545' ' ' GLY . . . -63.59 -45.27 91.13 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.47 -0.786 . . . . 1.07 110.519 -179.244 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -67.53 -46.58 72.41 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.651 -0.704 . . . . 1.06 111.654 -177.167 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 570' ' ' GLN . . . . . 0.498 ' O ' ' HG2' ' A' ' 574' ' ' GLN . 47.5 mt-30 -68.73 -45.39 71.64 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.238 -0.437 . . . . 1.35 111.28 -177.231 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -62.24 -42.83 99.67 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.338 -0.392 . . . . 1.09 111.568 -175.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 572' ' ' MET . . . . . 0.629 ' SD ' ' HE3' ' A' ' 563' ' ' MET . 17.7 ptp -64.92 -45.1 87.25 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 120.758 -0.377 . . . . 1.11 110.344 -179.153 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 573' ' ' VAL . . . . . 0.518 ' CG1' ' HA ' ' A' ' 591' ' ' ARG . 65.2 t -66.91 -37.71 79.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.131 -0.486 . . . . 1.05 111.79 -175.839 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 574' ' ' GLN . . . . . 0.498 ' HG2' ' O ' ' A' ' 570' ' ' GLN . 15.8 mm100 -59.36 -37.45 77.91 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.662 -0.495 . . . . 2.38 109.662 177.736 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 58.4 t80 -69.34 -49.25 57.38 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.921 -0.582 . . . . 0.99 110.84 173.359 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 576' ' ' TYR . . . . . 0.511 ' CE1' ' HB2' ' A' ' 572' ' ' MET . 18.6 m-85 -74.88 -17.19 60.62 Favored 'General case' 0 C--O 1.222 -0.387 0 N-CA-C 113.184 0.809 . . . . 0.38 113.184 -171.62 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -78.91 -27.97 43.89 Favored 'General case' 0 C--N 1.317 -0.813 0 C-N-CA 119.929 -0.709 . . . . 1.86 110.487 174.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 39.7 mm-40 -96.66 -38.72 9.82 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.128 0.489 . . . . 2.07 110.819 179.281 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 58.8 mtpt -130.45 79.42 72.37 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-N 115.761 -0.654 . . . . 2.57 109.647 176.08 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_exo -69.36 160.35 50.14 Favored 'Trans proline' 0 C--O 1.233 0.231 0 C-N-CA 123.607 2.871 . . . . 0.21 113.188 -173.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -91.84 152.81 19.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.01 -0.541 . . . . 1.02 110.144 -176.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 44.8 mt -121.28 131.52 72.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 112.154 0.427 . . . . 1.16 112.154 -168.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 583' ' ' ILE . . . . . 0.448 HD11 HD13 ' A' ' 588' ' ' LEU . 38.1 mt -121.25 123.07 69.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.108 -0.496 . . . . 1.42 109.995 172.401 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 73.4 m-20 59.71 33.61 21.89 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 122.702 0.401 . . . . 1.7 111.305 177.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 79.01 3.25 88.07 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.397 -0.906 . . . . 0.69 112.375 -179.059 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -102.69 126.49 49.82 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.672 -0.492 . . . . 1.93 109.672 178.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 587' ' ' LYS . . . . . 0.472 ' HZ1' ' HB2' ' A' ' 587' ' ' LYS . 9.6 mtmp? -83.62 114.03 21.26 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.05 -0.523 . . . . 2.64 110.749 -175.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 588' ' ' LEU . . . . . 0.448 HD12 ' CD1' ' A' ' 540' ' ' LEU . 37.8 mt -87.83 124.25 33.44 Favored 'General case' 0 CA--C 1.505 -0.786 0 CA-C-N 115.674 -0.694 . . . . 1.09 109.793 179.234 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 32.4 tp -83.57 108.88 16.97 Favored 'General case' 0 N--CA 1.438 -1.037 0 N-CA-C 108.165 -1.05 . . . . 1.1 108.165 173.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 590' ' ' ILE . . . . . 0.494 ' HB ' ' CB ' ' A' ' 576' ' ' TYR . 38.6 mt -95.62 115.78 35.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 N-CA-C 108.314 -0.995 . . . . 1.04 108.314 179.549 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 591' ' ' ARG . . . . . 0.518 ' HA ' ' CG1' ' A' ' 573' ' ' VAL . 25.9 ptt180 -144.89 161.39 39.44 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.864 0.69 . . . . 3.66 112.864 -171.767 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 592' ' ' MET . . . . . 0.47 ' HG2' HG12 ' A' ' 573' ' ' VAL . 0.2 OUTLIER -64.16 129.16 38.88 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 114.899 -1.046 . . . . 1.06 111.219 -171.748 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 593' ' ' SER . . . . . 0.492 ' HA ' ' ND1' ' A' ' 523' ' ' HIS . 20.2 t -88.52 129.06 35.55 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.404 -0.362 . . . . 1.57 111.051 -178.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 20.0 m -96.02 -29.59 14.05 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.388 -0.369 . . . . 2.17 110.469 178.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -59.84 -40.8 89.73 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.12 -0.491 . . . . 3.39 111.084 -178.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -118.48 132.75 56.22 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.979 0.419 . . . . 1.27 110.388 -179.065 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 44.5 mmtm -91.82 -33.8 14.82 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.756 -0.831 . . . . 3.84 108.756 171.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -146.82 149.93 34.29 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.414 -1.266 . . . . 2.02 108.452 174.809 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 599' ' ' LEU . . . . . 0.447 HD12 ' HB2' ' A' ' 562' ' ' GLU . 92.9 mt -92.77 -52.68 4.5 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.913 -0.403 . . . . 1.09 109.913 -179.514 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 10.1 mm100 48.74 74.42 0.18 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.143 -0.935 . . . . 3.46 112.02 179.021 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 601' ' ' LEU . . . . . 0.487 HD21 ' O ' ' A' ' 550' ' ' TYR . 90.7 mt -56.21 145.69 25.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.077 -0.511 . . . . 1.47 109.881 175.255 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.59 -11.13 22.3 Favored 'General case' 0 N--CA 1.466 0.354 0 O-C-N 123.736 0.648 . . . . 5.81 112.499 -170.799 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 603' ' ' LYS . . . . . 0.417 ' HA ' ' HD3' ' A' ' 604' ' ' PRO . 5.9 mtpm? -69.89 109.81 5.42 Favored Pre-proline 0 C--N 1.327 -0.396 0 N-CA-C 109.257 -0.645 . . . . 6.08 109.257 177.661 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 604' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 603' ' ' LYS . 22.2 Cg_exo -64.76 -51.96 1.53 Allowed 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 123.034 2.489 . . . . 6.24 112.972 -174.288 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 605' ' ' GLY . . . . . . . . . . . . . . . -83.2 91.15 1.59 Allowed Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.712 -0.756 . . . . 6.9 112.616 -176.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -66.14 -41.97 89.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.525 0.679 . . . . 9.18 109.407 176.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -154.39 97.39 2.01 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.104 -0.953 . . . . 9.69 108.633 176.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 43.9 t -60.02 -36.29 66.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.097 -0.501 . . . . 9.96 112.26 -170.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -84.02 29.79 0.54 Allowed 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 111.773 0.286 . . . . 9.72 111.773 -178.061 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . 67.41 127.26 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 123.572 0.749 . . . . 9.52 112.25 178.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 59.2 mt -76.14 72.35 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.389 0.614 . . . . 8.52 110.222 178.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 612' ' ' ILE . . . . . . . . . . . . . 55.7 mt -96.24 70.21 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 121.685 0.755 . . . . 9.1 109.666 177.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -123.03 -43.72 2.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.458 -0.792 . . . . 10.72 111.329 -177.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 614' ' ' ASP . . . . . 0.446 ' OD2' ' HE2' ' A' ' 546' ' ' LYS . 14.3 m-20 -105.57 -61.74 1.45 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.496 -0.32 . . . . 10.41 111.164 -179.037 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 615' ' ' ILE . . . . . . . . . . . . . 4.1 mp 56.09 56.1 0.32 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.362 0 CA-C-O 121.973 0.892 . . . . 8.92 110.298 -176.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 29.3 m-70 -111.39 5.55 19.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.363 -0.835 . . . . 7.47 109.497 172.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 3.7 p 175.99 34.64 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 114.922 -1.035 . . . . 6.99 109.632 -178.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 618' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -127.55 149.1 50.3 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.776 -0.647 . . . . 9.92 110.386 -174.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 23.1 mmt180 -126.77 60.2 1.36 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.327 -0.397 . . . . 13.6 110.466 178.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 620' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 51.9 79.27 0.11 Allowed 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.508 -0.769 . . . . 11.34 111.228 179.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 28.7 mmm180 . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.382 -0.818 . . . . 11.92 110.024 -179.268 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.65 0 N-CA-C 111.777 -0.529 . . . . 7.0 111.777 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . -103.07 38.61 1.72 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.14 0.495 . . . . 5.89 110.37 178.422 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 64.8 mtt -80.7 92.67 6.04 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.022 -0.536 . . . . 6.52 110.271 -179.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -75.08 70.17 2.04 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.957 -0.565 . . . . 2.69 110.202 176.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 514' ' ' GLN . . . . . 0.573 ' C ' ' H ' ' A' ' 516' ' ' LYS . 67.2 mt-30 -69.26 -38.97 78.67 Favored 'General case' 0 CA--C 1.506 -0.72 0 CA-C-N 115.665 -0.698 . . . . 5.85 110.967 -178.473 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 515' ' ' ARG . . . . . 0.485 ' HB2' ' O ' ' A' ' 514' ' ' GLN . 87.0 mtm180 71.27 -26.54 0.17 Allowed 'General case' 0 N--CA 1.463 0.217 0 O-C-N 124.266 0.979 . . . . 7.19 110.713 -172.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 516' ' ' LYS . . . . . 0.573 ' H ' ' C ' ' A' ' 514' ' ' GLN . 29.0 mmmt 67.76 28.98 7.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 114.77 -1.105 . . . . 5.61 110.553 167.659 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . 113.22 -18.85 20.74 Favored Glycine 0 N--CA 1.439 -1.15 0 CA-C-N 115.303 -0.862 . . . . 3.59 111.494 -178.432 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 518' ' ' ALA . . . . . . . . . . . . . . . -152.05 -78.2 0.12 Allowed 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.831 -0.347 . . . . 2.73 111.892 -174.309 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 77.97 136.7 1.0 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 121.187 -0.53 . . . . 2.08 112.474 -178.049 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 48.0 mtt180 -138.62 160.08 40.49 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.725 0.297 . . . . 3.0 110.436 176.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 90.5 t -112.95 135.12 53.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.73 -0.668 . . . . 1.08 110.234 176.106 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 522' ' ' VAL . . . . . 0.413 HG12 ' O ' ' A' ' 591' ' ' ARG . 73.7 t -102.31 133.97 44.41 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.088 0 CA-C-N 115.81 -0.632 . . . . 1.07 109.96 172.834 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 523' ' ' HIS . . . . . 0.486 ' HE2' ' HG2' ' A' ' 558' ' ' GLN . 2.2 t-80 -105.1 118.19 35.9 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.55 -0.75 . . . . 2.21 109.294 179.547 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 524' ' ' ILE . . . . . . . . . . . . . 72.5 mt -103.6 129.58 55.38 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.876 0 CA-C-N 115.45 -0.796 . . . . 1.06 109.595 178.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 3.1 p -126.93 175.06 8.34 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.893 -0.594 . . . . 2.22 110.635 -177.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 66.6 32.68 6.99 Favored 'General case' 0 N--CA 1.466 0.339 0 O-C-N 123.703 0.627 . . . . 1.74 109.939 -175.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 82.1 mt -84.66 122.68 74.83 Favored Pre-proline 0 C--N 1.322 -0.613 0 CA-C-N 115.645 -0.707 . . . . 1.09 110.194 -178.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 528' ' ' PRO . . . . . 0.429 ' HD2' ' SG ' ' A' ' 532' ' ' CYS . 19.8 Cg_endo -64.19 130.45 27.2 Favored 'Trans proline' 0 C--O 1.236 0.42 0 C-N-CA 121.896 1.731 . . . . 0.88 112.262 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -69.71 126.74 30.62 Favored 'General case' 0 N--CA 1.443 -0.823 0 CA-C-N 115.243 -0.89 . . . . 2.98 111.037 -179.21 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 75.79 15.65 81.18 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 121.047 -0.597 . . . . 0.97 112.682 177.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 9.2 m -121.45 -33.87 3.56 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 120.92 0.391 . . . . 1.63 111.455 -178.1 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 532' ' ' CYS . . . . . 0.429 ' SG ' ' HD2' ' A' ' 528' ' ' PRO . 39.7 m -84.95 137.14 33.28 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.317 -0.402 . . . . 1.73 111.137 -175.778 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 70.9 p -105.29 170.6 7.79 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.471 -0.566 . . . . 1.27 109.471 175.159 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -62.26 -38.65 90.11 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.147 0.498 . . . . 1.32 109.699 176.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -68.35 -44.44 75.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.503 -0.771 . . . . 2.62 111.995 -176.093 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 536' ' ' ASP . . . . . 0.491 ' O ' ' HG ' ' A' ' 540' ' ' LEU . 69.4 m-20 -60.64 -46.86 88.71 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 120.735 0.303 . . . . 0.52 111.31 -173.818 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 61.4 t -63.34 -43.78 98.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.006 -0.543 . . . . 1.07 110.795 -177.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 78.6 mt -66.82 -44.57 89.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 1.07 110.415 178.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 539' ' ' ASN . . . . . 0.489 ' O ' ' HD3' ' A' ' 543' ' ' PRO . 95.2 m-20 -61.58 -28.95 69.71 Favored 'General case' 0 C--O 1.225 -0.216 0 CA-C-N 115.892 -0.595 . . . . 1.74 111.678 -178.562 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 540' ' ' LEU . . . . . 0.491 ' HG ' ' O ' ' A' ' 536' ' ' ASP . 46.9 mt -74.56 -34.71 62.98 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 111.627 0.232 . . . . 1.08 111.627 178.091 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -75.34 -43.46 25.08 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.225 -0.988 . . . . 0.26 112.03 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 542' ' ' LEU . . . . . 0.431 ' HA ' ' O ' ' A' ' 545' ' ' GLY . 79.1 mt -47.54 -44.7 55.54 Favored Pre-proline 0 CA--C 1.546 0.818 0 N-CA-C 115.323 1.601 . . . . 1.11 115.323 -173.484 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 543' ' ' PRO . . . . . 0.489 ' HD3' ' O ' ' A' ' 539' ' ' ASN . 76.0 Cg_exo -50.47 -34.9 43.6 Favored 'Trans proline' 0 C--N 1.357 1.021 0 C-N-CA 122.01 1.806 . . . . 0.22 115.724 -171.698 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -110.91 -18.8 13.0 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 119.861 -0.736 . . . . 0.42 112.795 179.316 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 545' ' ' GLY . . . . . 0.431 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . -143.72 138.65 8.23 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.679 -0.772 . . . . 1.14 112.973 175.034 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 59.4 tptt -78.95 142.54 36.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.645 0.259 . . . . 2.18 110.748 -177.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 92.1 t -104.68 136.02 40.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.988 -0.551 . . . . 1.06 111.473 -175.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 39.2 p -96.41 -40.13 9.26 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.064 -0.516 . . . . 1.05 111.076 177.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -163.61 168.92 19.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.984 -0.553 . . . . 1.46 109.635 179.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 550' ' ' TYR . . . . . 0.425 ' O ' HD21 ' A' ' 601' ' ' LEU . 14.1 p90 -140.55 150.83 44.17 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.877 0.37 . . . . 0.99 111.325 -174.271 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 50.8 mt -132.21 122.65 48.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 108.952 -0.758 . . . . 1.19 108.952 172.14 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 552' ' ' LEU . . . . . . . . . . . . . 91.0 mt -110.78 113.59 26.3 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 120.931 0.396 . . . . 1.21 111.442 -177.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 58.8 mtt -109.62 84.06 1.86 Allowed 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.247 -0.649 . . . . 1.46 109.247 171.314 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp -67.65 -30.91 70.59 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.0 -0.545 . . . . 1.98 110.722 -175.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 65.7 p -60.07 -27.93 67.38 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.458 -0.792 . . . . 1.26 111.401 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 81.8 p -98.58 8.0 45.45 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.488 -0.323 . . . . 1.41 110.965 -177.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 55.95 42.58 28.55 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.498 -0.774 . . . . 2.35 110.04 -176.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 558' ' ' GLN . . . . . 0.486 ' HG2' ' HE2' ' A' ' 523' ' ' HIS . 24.6 mt-30 -144.41 149.76 36.6 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.547 -0.751 . . . . 2.3 110.838 -173.835 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -130.01 142.74 50.59 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 115.626 -0.715 . . . . 1.06 109.491 174.225 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 560' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -124.06 126.14 45.73 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.229 0.537 . . . . 0.45 109.614 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 561' ' ' LEU . . . . . 0.459 ' HB3' ' HE2' ' A' ' 563' ' ' MET . 15.7 tp -129.78 132.52 46.56 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 115.505 -0.771 . . . . 1.06 109.026 -173.359 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 562' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -100.11 128.53 46.17 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-O 121.14 0.495 . . . . 1.85 110.53 -177.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 563' ' ' MET . . . . . 0.683 ' HG2' ' SD ' ' A' ' 572' ' ' MET . 1.0 OUTLIER -103.45 137.66 41.24 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.574 -0.739 . . . . 1.16 110.311 -179.15 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -60.19 -38.12 82.31 Favored 'General case' 0 C--O 1.218 -0.559 0 CA-C-N 114.393 -1.276 . . . . 1.13 111.651 -174.226 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 565' ' ' TYR . . . . . 0.413 ' CE2' ' HE2' ' A' ' 516' ' ' LYS . 27.2 m-85 -117.42 141.16 48.67 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.537 -0.542 . . . . 1.44 109.537 -177.354 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 9.7 t -64.76 -34.88 79.37 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.217 -0.447 . . . . 1.18 110.398 179.132 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -67.87 -36.05 79.59 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.094 -0.503 . . . . 1.91 110.904 176.29 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 568' ' ' ALA . . . . . 0.401 ' HB1' ' HA2' ' A' ' 545' ' ' GLY . . . -62.65 -46.09 89.83 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.992 -0.549 . . . . 1.07 110.603 179.611 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . 0.841 ' HA ' ' SD ' ' A' ' 572' ' ' MET . . . -63.38 -45.23 92.07 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.688 -0.687 . . . . 1.06 111.522 -178.441 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 570' ' ' GLN . . . . . 0.535 ' O ' ' HG3' ' A' ' 574' ' ' GLN . 48.7 mt-30 -68.32 -45.9 71.71 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.147 -0.479 . . . . 1.35 111.193 -178.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -66.01 -35.52 80.79 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.527 -0.306 . . . . 1.09 111.506 -176.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 572' ' ' MET . . . . . 0.841 ' SD ' ' HA ' ' A' ' 569' ' ' ALA . 4.2 ptm -67.17 -45.94 75.47 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.84 -0.429 . . . . 1.11 109.84 179.243 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 573' ' ' VAL . . . . . 0.503 ' N ' ' HG2' ' A' ' 572' ' ' MET . 55.5 t -66.67 -36.92 78.42 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.444 0 CA-C-N 116.281 -0.418 . . . . 1.05 110.66 -178.815 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 574' ' ' GLN . . . . . 0.535 ' HG3' ' O ' ' A' ' 570' ' ' GLN . 55.7 mt-30 -58.55 -36.33 73.73 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.683 -0.488 . . . . 2.38 109.683 176.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 81.9 t80 -68.23 -50.35 54.63 Favored 'General case' 0 C--O 1.221 -0.412 0 CA-C-N 116.446 -0.343 . . . . 0.99 111.014 173.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 576' ' ' TYR . . . . . 0.415 ' CB ' ' HB ' ' A' ' 590' ' ' ILE . 28.1 m-85 -74.08 -16.08 61.04 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 112.329 0.492 . . . . 0.38 112.329 -173.362 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 67.4 mm-40 -74.99 -30.76 61.26 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 120.743 0.306 . . . . 1.86 111.192 173.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -98.5 -40.18 8.38 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.002 0.43 . . . . 2.07 111.295 177.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 60.0 mtpt -128.55 81.8 69.93 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-N 115.857 -0.61 . . . . 2.57 109.528 177.146 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -70.01 160.12 50.77 Favored 'Trans proline' 0 C--O 1.234 0.292 0 C-N-CA 123.548 2.832 . . . . 0.21 112.565 -174.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -92.56 153.43 19.05 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.143 -0.48 . . . . 1.02 110.458 -175.172 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 60.7 mt -121.25 135.88 59.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 112.018 0.377 . . . . 1.16 112.018 -170.333 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 583' ' ' ILE . . . . . . . . . . . . . 24.4 mt -122.29 120.96 62.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 116.241 -0.436 . . . . 1.42 110.199 171.349 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 56.59 35.7 26.47 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 115.977 -0.556 . . . . 1.7 111.718 177.024 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 85.56 1.75 87.47 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.786 -0.721 . . . . 0.69 112.847 177.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -106.5 127.01 52.98 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.794 0.33 . . . . 1.93 110.348 179.041 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -81.23 118.52 22.66 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.104 -0.498 . . . . 2.64 110.303 -178.299 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 588' ' ' LEU . . . . . . . . . . . . . 37.6 mt -90.12 140.45 29.64 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.856 -0.611 . . . . 1.09 110.212 -179.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 59.0 tp -89.52 108.1 19.46 Favored 'General case' 0 C--N 1.312 -1.046 0 N-CA-C 108.621 -0.881 . . . . 1.1 108.621 171.146 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 590' ' ' ILE . . . . . 0.415 ' HB ' ' CB ' ' A' ' 576' ' ' TYR . 52.5 mt -97.17 114.3 33.81 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 N-CA-C 107.648 -1.242 . . . . 1.04 107.648 174.486 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 591' ' ' ARG . . . . . 0.413 ' O ' HG12 ' A' ' 522' ' ' VAL . 12.4 ptm180 -137.95 163.56 31.22 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.185 0.516 . . . . 3.66 112.289 -172.368 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 592' ' ' MET . . . . . 0.43 ' HG2' HG13 ' A' ' 573' ' ' VAL . 0.1 OUTLIER -66.77 129.73 40.84 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.404 -0.816 . . . . 1.06 109.452 177.839 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 92.4 p -72.64 138.64 46.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.025 0.44 . . . . 1.57 110.17 179.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 14.0 p -98.66 -15.47 19.4 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 116.095 -0.502 . . . . 2.17 111.503 -178.151 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 51.2 mtm180 -107.34 -12.31 15.36 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 111.822 0.305 . . . . 3.39 111.822 -176.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 35.6 m-85 -122.57 133.43 54.55 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.945 0.402 . . . . 1.27 111.048 -176.256 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -92.66 -41.96 9.89 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.277 0.56 . . . . 3.84 109.55 172.116 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -152.87 163.29 40.04 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.131 -0.94 . . . . 2.02 109.026 178.103 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 599' ' ' LEU . . . . . . . . . . . . . 98.1 mt -92.69 -65.2 1.02 Allowed 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.986 -0.375 . . . . 1.09 109.986 179.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 51.82 79.98 0.1 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.829 -1.078 . . . . 3.46 110.757 -175.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 601' ' ' LEU . . . . . 0.425 HD21 ' O ' ' A' ' 550' ' ' TYR . 94.6 mt -44.13 133.03 5.41 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.704 -0.68 . . . . 1.47 110.936 179.569 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -76.45 60.16 1.55 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.098 -0.501 . . . . 5.81 111.586 -173.049 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -69.75 128.7 91.8 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 115.666 -0.697 . . . . 6.08 109.304 174.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 604' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -64.65 133.26 36.02 Favored 'Trans proline' 0 N--CA 1.463 -0.282 0 C-N-CA 122.585 2.19 . . . . 6.24 111.489 178.637 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 605' ' ' GLY . . . . . . . . . . . . . . . 78.95 88.23 0.47 Allowed Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 120.45 -0.881 . . . . 6.9 111.382 -176.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 68.5 mmtt -66.12 -28.9 69.15 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.951 0.405 . . . . 9.18 110.307 -176.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 22.1 p-10 -66.58 -31.07 71.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.593 -0.731 . . . . 9.69 110.47 177.411 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 21.6 t -74.88 -33.26 29.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.926 -0.579 . . . . 9.96 110.207 -179.542 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -88.04 3.8 47.57 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.873 -0.603 . . . . 9.72 111.16 -179.362 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . 69.46 109.34 0.05 Allowed 'General case' 0 N--CA 1.463 0.216 0 O-C-N 124.106 0.879 . . . . 9.52 111.597 -179.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 63.3 mt -81.44 79.86 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.533 0.683 . . . . 8.52 109.686 179.434 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 612' ' ' ILE . . . . . . . . . . . . . 59.5 mt -81.33 79.53 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.413 -0.812 . . . . 9.1 110.971 -176.08 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -107.13 -27.63 10.47 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.802 -0.635 . . . . 10.72 110.893 177.507 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 20.6 p-10 -95.02 -62.65 1.27 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.091 -0.504 . . . . 10.41 111.591 -174.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 615' ' ' ILE . . . . . . . . . . . . . 51.3 mm -89.42 98.17 7.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 120.945 0.403 . . . . 8.92 111.001 -176.158 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 34.7 m80 -101.3 -8.9 21.69 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.22 -0.446 . . . . 7.47 110.139 176.236 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 10.9 p -69.24 -29.06 66.91 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.322 0.582 . . . . 6.99 110.739 178.315 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 618' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -129.58 -178.05 4.52 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.373 -0.831 . . . . 9.92 109.789 -178.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 89.2 mtm180 -92.2 109.24 20.6 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 108.884 -0.784 . . . . 13.6 108.884 171.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 620' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 69.78 171.28 0.31 Allowed 'General case' 0 N--CA 1.463 0.197 0 O-C-N 123.918 0.762 . . . . 11.34 110.459 -175.091 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 7.7 ptp85 . . . . . 0 C--O 1.247 0.953 0 CA-C-O 118.568 -0.73 . . . . 11.92 110.515 -179.676 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.652 0 N-CA-C 112.031 -0.428 . . . . 7.0 112.031 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . -154.82 86.35 1.12 Allowed 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.725 -0.472 . . . . 5.89 109.725 177.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 1.5 mpt? -84.23 48.19 1.45 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.139 -0.482 . . . . 6.52 111.637 -174.254 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -136.75 135.81 38.4 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.929 0.395 . . . . 2.69 110.758 -179.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 514' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -70.23 -36.16 74.33 Favored 'General case' 0 CA--C 1.514 -0.441 0 CA-C-N 115.561 -0.745 . . . . 5.85 110.824 178.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 62.3 mtm180 64.29 -76.65 0.04 OUTLIER 'General case' 0 C--O 1.228 -0.048 0 O-C-N 124.255 0.972 . . . . 7.19 109.562 -171.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 516' ' ' LYS . . . . . 0.546 ' O ' ' HB3' ' A' ' 616' ' ' HIS . 68.0 mttm 44.51 -99.54 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.3 0 O-C-N 123.998 0.811 . . . . 5.61 112.529 176.153 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 517' ' ' GLY . . . . . 0.5 ' HA3' ' HA ' ' A' ' 565' ' ' TYR . . . -65.93 -32.32 82.29 Favored Glycine 0 N--CA 1.438 -1.198 0 C-N-CA 120.755 -0.736 . . . . 3.59 112.347 -175.708 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 518' ' ' ALA . . . . . . . . . . . . . . . 174.75 -39.79 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.256 0 O-C-N 123.681 0.283 . . . . 2.73 111.134 -178.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 519' ' ' GLY . . . . . 0.439 ' HA2' ' O ' ' A' ' 563' ' ' MET . . . 68.28 63.21 3.7 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.249 -0.977 . . . . 2.08 110.81 -171.073 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -97.6 161.01 13.97 Favored 'General case' 0 CA--C 1.514 -0.414 0 CA-C-O 120.745 0.307 . . . . 3.0 110.659 -177.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 74.0 t -111.47 133.11 58.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.471 0.653 . . . . 1.08 111.728 -176.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 522' ' ' VAL . . . . . . . . . . . . . 84.5 t -106.7 135.25 45.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-N 114.861 -1.063 . . . . 1.07 108.983 173.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 4.2 p-80 -105.37 137.03 43.84 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.238 -0.585 . . . . 2.21 109.587 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 524' ' ' ILE . . . . . . . . . . . . . 74.1 mt -111.36 125.48 68.68 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.952 0 CA-C-N 115.588 -0.733 . . . . 1.06 110.191 179.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 525' ' ' CYS . . . . . 0.487 ' SG ' ' HB3' ' A' ' 589' ' ' LEU . 22.7 p -118.15 176.53 5.17 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.664 -0.698 . . . . 2.22 110.195 -178.523 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 526' ' ' ASN . . . . . 0.408 ' HB2' ' O ' ' A' ' 525' ' ' CYS . 18.7 m120 69.76 26.52 4.85 Favored 'General case' 0 N--CA 1.464 0.237 0 O-C-N 123.829 0.705 . . . . 1.74 110.349 -177.442 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 79.0 mt -81.81 121.72 79.6 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 115.764 -0.653 . . . . 1.09 111.485 -176.405 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 528' ' ' PRO . . . . . 0.503 ' HD2' ' SG ' ' A' ' 532' ' ' CYS . 45.9 Cg_endo -69.28 133.01 25.35 Favored 'Trans proline' 0 C--O 1.236 0.424 0 C-N-CA 122.875 2.384 . . . . 0.88 111.823 174.596 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -67.52 124.62 23.71 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.905 -0.589 . . . . 2.98 111.135 -177.214 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 73.15 5.96 67.51 Favored Glycine 0 CA--C 1.519 0.327 0 CA-C-N 116.131 -0.486 . . . . 0.97 113.703 174.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 23.6 t -104.9 -35.56 7.66 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 117.301 0.55 . . . . 1.63 110.613 -179.143 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 532' ' ' CYS . . . . . 0.503 ' SG ' ' HD2' ' A' ' 528' ' ' PRO . 76.5 m -85.91 141.96 29.19 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.371 -0.377 . . . . 1.73 110.17 176.089 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 46.8 p -105.39 170.02 8.13 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.81 -0.441 . . . . 1.27 109.81 178.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -55.34 -44.13 75.62 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.23 0.538 . . . . 1.32 109.845 175.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.27 -43.11 87.37 Favored 'General case' 0 C--O 1.221 -0.436 0 CA-C-N 115.289 -0.869 . . . . 2.62 111.641 -175.139 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 536' ' ' ASP . . . . . 0.588 ' O ' ' HG ' ' A' ' 540' ' ' LEU . 15.7 m-20 -58.55 -46.81 86.06 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.881 -0.328 . . . . 0.52 111.356 -177.26 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 48.6 t -62.36 -45.48 98.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.961 -0.563 . . . . 1.07 110.734 -177.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 88.9 mt -67.26 -44.96 87.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.915 -0.584 . . . . 1.07 110.925 179.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 539' ' ' ASN . . . . . 0.512 ' O ' ' HD3' ' A' ' 543' ' ' PRO . 5.8 m-20 -62.93 -28.28 69.96 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.495 -0.775 . . . . 1.74 111.832 -177.43 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 540' ' ' LEU . . . . . 0.588 ' HG ' ' O ' ' A' ' 536' ' ' ASP . 31.6 mt -66.25 -38.93 89.03 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 111.74 0.274 . . . . 1.08 111.74 178.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -74.89 -39.18 39.46 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.28 -0.962 . . . . 0.26 112.455 -177.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 542' ' ' LEU . . . . . 0.476 ' HA ' ' O ' ' A' ' 545' ' ' GLY . 79.1 mt -48.72 -46.62 72.41 Favored Pre-proline 0 CA--C 1.543 0.707 0 N-CA-C 114.969 1.47 . . . . 1.11 114.969 -172.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 543' ' ' PRO . . . . . 0.512 ' HD3' ' O ' ' A' ' 539' ' ' ASN . 69.7 Cg_exo -49.74 -33.75 33.28 Favored 'Trans proline' 0 C--N 1.358 1.027 0 C-N-CA 122.191 1.928 . . . . 0.22 115.374 -173.29 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 544' ' ' PHE . . . . . 0.479 ' HB2' ' CB ' ' A' ' 572' ' ' MET . 93.6 m-85 -111.32 -17.98 13.03 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 113.012 0.745 . . . . 0.42 113.012 178.809 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 545' ' ' GLY . . . . . 0.476 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . -149.67 141.74 9.13 Favored Glycine 0 CA--C 1.522 0.503 0 C-N-CA 120.912 -0.661 . . . . 1.14 112.935 177.004 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 546' ' ' LYS . . . . . 0.432 ' O ' ' HA ' ' A' ' 563' ' ' MET . 59.1 tptt -74.41 135.59 42.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.758 0.313 . . . . 2.18 111.377 -178.609 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 547' ' ' VAL . . . . . 0.479 ' HA ' ' O ' ' A' ' 562' ' ' GLU . 89.3 t -91.68 136.08 25.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.646 -0.706 . . . . 1.06 110.961 179.128 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 31.7 p -104.31 -38.26 6.92 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.771 -0.65 . . . . 1.05 111.505 176.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 60.3 m-80 -150.12 165.79 31.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.011 -0.54 . . . . 1.46 110.248 -176.142 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 550' ' ' TYR . . . . . 0.417 ' O ' HD23 ' A' ' 601' ' ' LEU . 18.2 p90 -146.83 149.66 33.73 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 110.005 -0.368 . . . . 0.99 110.005 173.451 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 34.6 mt -137.59 127.35 36.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 109.078 -0.712 . . . . 1.19 109.078 173.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 552' ' ' LEU . . . . . . . . . . . . . 53.4 mt -110.18 110.78 21.75 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 116.111 -0.495 . . . . 1.21 111.179 -175.107 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 26.3 mmt -96.04 84.11 3.76 Favored 'General case' 0 N--CA 1.445 -0.694 0 N-CA-C 108.865 -0.791 . . . . 1.46 108.865 175.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -68.6 -29.42 67.94 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.229 -0.896 . . . . 1.98 109.804 -179.455 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 61.2 p -63.16 -31.48 72.63 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.19 -0.914 . . . . 1.26 111.878 178.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 82.8 p -105.22 3.15 29.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.872 0.367 . . . . 1.41 110.574 -178.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 56.92 41.52 27.71 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.175 -0.92 . . . . 2.35 110.87 -176.446 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 -137.94 150.07 46.73 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.938 -0.574 . . . . 2.3 110.242 -174.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -129.95 143.79 50.98 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.724 0.297 . . . . 1.06 111.032 -178.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 560' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -126.18 132.99 51.68 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.866 -0.607 . . . . 0.45 110.131 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 18.1 tp -127.16 138.7 53.2 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.049 -0.523 . . . . 1.06 109.971 -175.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 562' ' ' GLU . . . . . 0.479 ' O ' ' HA ' ' A' ' 547' ' ' VAL . 30.8 tt0 -107.63 138.85 43.11 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.481 0.182 . . . . 1.85 110.966 -175.442 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 563' ' ' MET . . . . . 0.764 ' HE3' ' SD ' ' A' ' 572' ' ' MET . 1.2 mpt? -116.33 142.86 46.3 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.323 0.582 . . . . 1.16 111.779 -177.388 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -67.24 -23.24 65.69 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.075 -0.966 . . . . 1.13 112.317 -175.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 565' ' ' TYR . . . . . 0.5 ' HA ' ' HA3' ' A' ' 517' ' ' GLY . 88.0 m-85 -133.91 146.35 50.44 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 116.532 -0.303 . . . . 1.44 110.187 -179.121 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 4.1 t -65.39 -39.63 92.48 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.221 -0.445 . . . . 1.18 110.582 179.409 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -67.85 -31.66 71.63 Favored 'General case' 0 C--O 1.223 -0.291 0 CA-C-N 116.662 -0.245 . . . . 1.91 110.509 176.281 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 568' ' ' ALA . . . . . 0.419 ' HB3' ' CA ' ' A' ' 545' ' ' GLY . . . -62.11 -45.14 94.8 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.012 0.434 . . . . 1.07 109.923 177.839 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . 0.432 ' O ' ' HG2' ' A' ' 572' ' ' MET . . . -68.09 -46.3 71.37 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.782 -0.644 . . . . 1.06 111.384 178.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 570' ' ' GLN . . . . . 0.455 ' O ' ' HG3' ' A' ' 574' ' ' GLN . 50.4 mt-30 -68.51 -45.47 72.19 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.36 -0.382 . . . . 1.35 111.604 -176.821 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -62.18 -39.86 94.11 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.523 0.201 . . . . 1.09 111.393 -176.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 572' ' ' MET . . . . . 0.764 ' SD ' ' HE3' ' A' ' 563' ' ' MET . 15.5 ptp -67.06 -43.45 82.65 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 109.678 -0.49 . . . . 1.11 109.678 179.413 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 573' ' ' VAL . . . . . 0.501 ' CG1' ' HA ' ' A' ' 591' ' ' ARG . 67.8 t -66.62 -37.04 78.72 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.666 0 CA-C-N 115.99 -0.55 . . . . 1.05 111.169 -178.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 574' ' ' GLN . . . . . 0.455 ' HG3' ' O ' ' A' ' 570' ' ' GLN . 55.1 mt-30 -58.56 -36.76 74.44 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.643 -0.502 . . . . 2.38 109.643 175.494 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 61.8 t80 -68.71 -50.05 53.98 Favored 'General case' 0 C--O 1.217 -0.638 0 CA-C-N 115.987 -0.551 . . . . 0.99 110.8 173.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 576' ' ' TYR . . . . . 0.465 ' CB ' ' HB ' ' A' ' 590' ' ' ILE . 21.1 m-85 -76.59 -16.95 59.46 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 112.95 0.722 . . . . 0.38 112.95 -172.723 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 16.7 mm-40 -74.14 -29.64 61.9 Favored 'General case' 0 C--N 1.319 -0.757 0 O-C-N 122.215 -0.303 . . . . 1.86 110.465 172.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -98.34 -40.52 8.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.951 0.405 . . . . 2.07 111.74 178.426 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 57.2 mtpt -131.81 80.76 64.96 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 115.91 -0.586 . . . . 2.57 109.842 179.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 580' ' ' PRO . . . . . 0.415 ' HG3' ' O ' ' A' ' 576' ' ' TYR . 15.7 Cg_exo -70.35 159.43 53.0 Favored 'Trans proline' 0 CA--C 1.532 0.409 0 C-N-CA 123.577 2.851 . . . . 0.21 112.451 -174.759 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -93.15 149.2 21.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.325 -0.398 . . . . 1.02 111.055 -172.221 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 582' ' ' ILE . . . . . 0.471 HD11 ' HZ2' ' A' ' 587' ' ' LYS . 61.3 mt -112.25 131.33 64.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.378 -0.374 . . . . 1.16 111.508 -175.015 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 583' ' ' ILE . . . . . 0.456 ' CD1' ' HB3' ' A' ' 536' ' ' ASP . 41.7 mt -122.23 117.91 53.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.291 -0.413 . . . . 1.42 110.437 173.146 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 53.72 41.83 31.97 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.854 -0.612 . . . . 1.7 111.624 177.057 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 86.33 -1.37 87.45 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.872 -0.68 . . . . 0.69 113.337 177.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 586' ' ' GLU . . . . . 0.406 ' O ' ' HA ' ' A' ' 582' ' ' ILE . 70.5 mm-40 -102.51 126.23 49.49 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 117.139 0.47 . . . . 1.93 110.516 178.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 587' ' ' LYS . . . . . 0.471 ' HZ2' HD11 ' A' ' 582' ' ' ILE . 65.8 mttm -81.51 107.85 14.61 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.822 -0.436 . . . . 2.64 109.822 176.012 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 588' ' ' LEU . . . . . 0.435 HD13 HD12 ' A' ' 583' ' ' ILE . 37.8 mt -87.92 129.91 35.09 Favored 'General case' 0 CA--C 1.507 -0.708 0 CA-C-N 116.183 -0.462 . . . . 1.09 110.339 -179.192 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 589' ' ' LEU . . . . . 0.487 ' HB3' ' SG ' ' A' ' 525' ' ' CYS . 48.0 tp -87.62 108.76 19.23 Favored 'General case' 0 C--N 1.311 -1.08 0 N-CA-C 108.85 -0.796 . . . . 1.1 108.85 173.399 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 590' ' ' ILE . . . . . 0.465 ' HB ' ' CB ' ' A' ' 576' ' ' TYR . 45.1 mt -97.29 115.52 37.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 N-CA-C 108.334 -0.987 . . . . 1.04 108.334 177.222 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 591' ' ' ARG . . . . . 0.501 ' HA ' ' CG1' ' A' ' 573' ' ' VAL . 7.7 ptp180 -147.95 166.26 28.22 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 112.635 0.606 . . . . 3.66 112.635 -175.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 592' ' ' MET . . . . . 0.436 ' HG2' HG13 ' A' ' 573' ' ' VAL . 0.2 OUTLIER -61.7 133.87 56.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.239 -0.891 . . . . 1.06 110.249 -173.232 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 22.6 t -87.1 126.77 34.99 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-O 120.879 0.371 . . . . 1.57 110.372 179.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 39.5 p -99.29 -7.5 26.28 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.44 0.638 . . . . 2.17 110.074 175.397 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 36.3 mmt180 -87.61 -40.27 14.35 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 115.388 -0.823 . . . . 3.39 111.04 -179.259 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -117.47 133.24 56.18 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.059 0.457 . . . . 1.27 110.795 178.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -92.15 -34.96 14.12 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.52 -0.764 . . . . 3.84 110.865 175.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -149.23 144.75 26.73 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.572 -0.74 . . . . 2.02 110.263 -177.081 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 599' ' ' LEU . . . . . 0.423 HD11 ' HB2' ' A' ' 562' ' ' GLU . 87.8 mt -95.13 -62.2 1.35 Allowed 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.388 -0.597 . . . . 1.09 109.388 173.153 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 600' ' ' GLN . . . . . 0.573 ' O ' ' HG2' ' A' ' 603' ' ' LYS . 32.3 mt-30 42.81 86.58 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.485 0 O-C-N 124.569 1.168 . . . . 3.46 112.106 -177.39 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 601' ' ' LEU . . . . . 0.417 HD23 ' O ' ' A' ' 550' ' ' TYR . 52.1 mt -62.3 147.04 49.4 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 110.342 -0.244 . . . . 1.47 110.342 -179.388 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp 60.19 56.41 3.3 Favored 'General case' 0 CA--C 1.52 -0.206 0 N-CA-C 108.812 -0.811 . . . . 5.81 108.812 -169.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 603' ' ' LYS . . . . . 0.573 ' HG2' ' O ' ' A' ' 600' ' ' GLN . 18.4 mtpp -55.3 117.42 14.61 Favored Pre-proline 0 C--O 1.235 0.291 0 CA-C-N 115.093 -0.958 . . . . 6.08 111.97 -172.335 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 604' ' ' PRO . . . . . 0.428 ' CB ' HG23 ' A' ' 608' ' ' VAL . 69.2 Cg_endo -76.59 92.81 1.07 Allowed 'Trans proline' 0 N--CA 1.456 -0.708 0 C-N-CA 122.602 2.202 . . . . 6.24 111.818 177.489 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 605' ' ' GLY . . . . . . . . . . . . . . . -69.23 81.46 0.26 Allowed Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 121.048 -0.596 . . . . 6.9 112.341 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt 62.31 30.69 17.52 Favored 'General case' 0 C--O 1.234 0.252 0 C-N-CA 122.886 0.474 . . . . 9.18 110.989 -179.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -153.48 99.18 2.31 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.074 -0.512 . . . . 9.69 111.164 -179.364 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 608' ' ' VAL . . . . . 0.428 HG23 ' CB ' ' A' ' 604' ' ' PRO . 18.3 t -121.71 -78.26 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 N-CA-C 108.714 -0.847 . . . . 9.96 108.714 172.222 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 609' ' ' ALA . . . . . 0.493 ' HB1' ' OXT' ' A' ' 621' ' ' ARG . . . -155.0 -54.28 0.09 Allowed 'General case' 0 N--CA 1.44 -0.944 0 CA-C-N 114.746 -1.115 . . . . 9.72 108.027 175.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 610' ' ' ALA . . . . . 0.513 ' O ' HG13 ' A' ' 612' ' ' ILE . . . -158.38 103.54 1.79 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.304 -1.317 . . . . 9.52 108.577 173.794 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 65.5 mt -64.16 102.93 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.414 0.626 . . . . 8.52 111.202 -173.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 612' ' ' ILE . . . . . 0.513 HG13 ' O ' ' A' ' 610' ' ' ALA . 60.1 mt -119.78 87.97 1.17 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.808 0 CA-C-N 115.216 -0.902 . . . . 9.1 109.783 179.648 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -85.0 -18.26 35.02 Favored 'General case' 0 C--N 1.323 -0.543 0 CA-C-N 116.014 -0.539 . . . . 10.72 110.413 -179.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -64.93 -35.69 81.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.0 -0.545 . . . . 10.41 110.563 178.03 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 615' ' ' ILE . . . . . . . . . . . . . 63.4 mt -96.14 115.71 36.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 109.311 -0.626 . . . . 8.92 109.311 175.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 616' ' ' HIS . . . . . 0.546 ' HB3' ' O ' ' A' ' 516' ' ' LYS . 31.4 m-70 -80.16 -36.48 35.05 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.956 -0.565 . . . . 7.47 111.056 -175.454 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 50.8 m -86.11 -176.16 5.83 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.855 -0.611 . . . . 6.99 110.555 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 618' ' ' GLN . . . . . . . . . . . . . 57.9 mt-30 64.39 -179.37 0.17 Allowed 'General case' 0 C--O 1.235 0.32 0 CA-C-O 121.493 0.663 . . . . 9.92 111.945 176.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 70.6 mtp180 -122.56 147.47 46.35 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.255 -0.884 . . . . 13.6 109.938 177.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 620' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -77.87 121.83 24.65 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.097 -0.501 . . . . 11.34 109.864 179.388 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 621' ' ' ARG . . . . . 0.493 ' OXT' ' HB1' ' A' ' 609' ' ' ALA . 28.6 mmm180 . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.471 -0.776 . . . . 11.92 110.588 -178.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.671 0 N-CA-C 112.427 -0.269 . . . . 7.0 112.427 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . -146.74 92.5 2.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.042 0.449 . . . . 5.89 110.921 179.326 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 22.0 mmt -101.71 -20.1 15.11 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.317 0.579 . . . . 6.52 110.159 177.263 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 513' ' ' ALA . . . . . 0.514 ' CB ' ' HB ' ' A' ' 548' ' ' THR . . . -130.19 -172.28 2.75 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.465 -0.788 . . . . 2.69 110.447 -175.802 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 514' ' ' GLN . . . . . 0.462 ' NE2' ' HB2' ' A' ' 598' ' ' GLU . 69.5 mt-30 59.8 39.32 20.83 Favored 'General case' 0 N--CA 1.465 0.309 0 O-C-N 123.732 0.645 . . . . 5.85 110.711 175.196 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 35.2 mmt180 -54.87 -45.48 74.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.637 -0.711 . . . . 7.19 112.361 -173.292 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 516' ' ' LYS . . . . . 0.507 ' C ' ' H ' ' A' ' 518' ' ' ALA . 74.3 mmtt -76.31 -10.51 59.46 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.026 0.38 . . . . 5.61 112.026 -176.598 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . 73.06 -26.94 0.79 Allowed Glycine 0 CA--C 1.52 0.353 0 C-N-CA 121.143 -0.551 . . . . 3.59 112.787 -178.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 518' ' ' ALA . . . . . 0.546 ' O ' ' HB ' ' A' ' 566' ' ' THR . . . -97.76 -3.72 38.47 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 122.809 0.443 . . . . 2.73 110.563 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -47.45 133.22 15.0 Favored Glycine 0 C--O 1.229 -0.188 0 CA-C-N 115.463 -0.79 . . . . 2.08 112.035 177.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 78.2 mtp180 -113.45 163.79 14.44 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.181 0.515 . . . . 3.0 111.34 -173.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 81.4 t -98.72 135.09 35.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.032 -0.985 . . . . 1.08 110.475 177.28 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 522' ' ' VAL . . . . . 0.418 HG23 ' HE1' ' A' ' 592' ' ' MET . 95.1 t -101.68 133.8 44.02 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.853 0 N-CA-C 109.093 -0.706 . . . . 1.07 109.093 173.494 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -106.92 129.42 54.74 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.5 -0.556 . . . . 2.21 109.5 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 524' ' ' ILE . . . . . 0.436 HD13 HG13 ' A' ' 537' ' ' VAL . 74.6 mt -107.36 129.21 61.59 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.958 0 CA-C-N 115.793 -0.64 . . . . 1.06 109.863 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 7.6 p -121.72 174.9 6.54 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.642 -0.708 . . . . 2.22 111.094 -174.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 16.9 m120 66.7 33.97 6.01 Favored 'General case' 0 N--CA 1.463 0.22 0 O-C-N 123.738 0.649 . . . . 1.74 110.555 178.327 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 85.2 mt -90.32 120.99 69.04 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 115.457 -0.792 . . . . 1.09 111.176 -177.122 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 528' ' ' PRO . . . . . 0.747 ' HD2' ' SG ' ' A' ' 532' ' ' CYS . 12.6 Cg_exo -70.21 131.04 19.8 Favored 'Trans proline' 0 C--O 1.237 0.431 0 C-N-CA 122.542 2.161 . . . . 0.88 111.926 171.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.42 140.33 54.13 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.374 -0.375 . . . . 2.98 110.772 175.333 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 83.73 -18.45 20.29 Favored Glycine 0 N--CA 1.448 -0.52 0 CA-C-N 115.906 -0.588 . . . . 0.97 113.513 177.13 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 17.8 m -104.74 -36.8 7.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 117.325 0.563 . . . . 1.63 110.831 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 532' ' ' CYS . . . . . 0.747 ' SG ' ' HD2' ' A' ' 528' ' ' PRO . 73.5 m -87.8 124.98 34.18 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.753 0.311 . . . . 1.73 110.214 174.349 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 59.2 p -108.37 171.13 7.59 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.375 -0.375 . . . . 1.27 110.227 178.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -52.21 -46.94 65.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.032 0.444 . . . . 1.32 110.24 178.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -59.56 -43.13 93.65 Favored 'General case' 0 C--O 1.223 -0.294 0 CA-C-N 115.448 -0.796 . . . . 2.62 111.599 -177.475 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 536' ' ' ASP . . . . . 0.499 ' O ' ' HG ' ' A' ' 540' ' ' LEU . 60.8 m-20 -61.29 -47.64 85.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.837 0.351 . . . . 0.52 111.127 -174.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 537' ' ' VAL . . . . . 0.436 HG13 HD13 ' A' ' 524' ' ' ILE . 57.6 t -65.65 -44.39 93.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.723 -0.671 . . . . 1.07 110.628 -177.108 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 93.0 mt -67.0 -43.15 89.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.757 -0.656 . . . . 1.07 110.903 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 539' ' ' ASN . . . . . 0.66 ' O ' ' HD3' ' A' ' 543' ' ' PRO . 7.2 m-20 -64.4 -28.48 69.71 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.904 -0.589 . . . . 1.74 111.744 -179.301 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 540' ' ' LEU . . . . . 0.499 ' HG ' ' O ' ' A' ' 536' ' ' ASP . 37.5 mt -74.43 -28.65 61.15 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.447 0.536 . . . . 1.08 112.447 -178.562 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -79.64 -34.65 30.9 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 119.867 -1.159 . . . . 0.26 111.71 177.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 542' ' ' LEU . . . . . . . . . . . . . 66.1 mt -57.43 -35.23 32.6 Favored Pre-proline 0 CA--C 1.549 0.924 0 N-CA-C 115.835 1.791 . . . . 1.11 115.835 -174.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 543' ' ' PRO . . . . . 0.66 ' HD3' ' O ' ' A' ' 539' ' ' ASN . 86.1 Cg_exo -56.27 -34.34 93.47 Favored 'Trans proline' 0 C--N 1.354 0.849 0 CA-C-N 121.645 1.623 . . . . 0.22 114.904 -175.646 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -111.84 -18.2 12.76 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 113.307 0.854 . . . . 0.42 113.307 178.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 545' ' ' GLY . . . . . 0.469 ' HA3' ' CE ' ' A' ' 572' ' ' MET . . . -134.24 -162.54 9.97 Favored Glycine 0 C--O 1.224 -0.489 0 C-N-CA 120.776 -0.726 . . . . 1.14 113.354 178.223 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 546' ' ' LYS . . . . . 0.676 ' O ' ' HA ' ' A' ' 563' ' ' MET . 56.9 tptt -128.75 127.63 42.42 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 122.706 -0.29 . . . . 2.18 110.596 -179.755 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 547' ' ' VAL . . . . . 0.525 ' HA ' ' O ' ' A' ' 562' ' ' GLU . 99.5 t -91.16 130.53 40.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 123.363 0.414 . . . . 1.06 110.838 179.791 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 548' ' ' THR . . . . . 0.514 ' HB ' ' CB ' ' A' ' 513' ' ' ALA . 34.0 p -107.64 -39.16 5.68 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.911 -0.586 . . . . 1.05 111.57 176.608 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 73.0 m-20 -147.78 165.45 30.51 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.452 -0.795 . . . . 1.46 109.451 -175.319 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 17.4 p90 -153.39 148.35 26.6 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.074 0.464 . . . . 0.99 111.212 177.323 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 15.6 mt -130.2 123.48 56.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 108.887 -0.783 . . . . 1.19 108.887 175.239 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 552' ' ' LEU . . . . . . . . . . . . . 77.2 mt -111.29 113.73 26.42 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 116.022 -0.535 . . . . 1.21 111.37 -174.171 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 54.7 mtt -108.4 84.86 2.01 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.423 -0.584 . . . . 1.46 109.423 175.369 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -68.5 -30.5 69.34 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.884 -0.598 . . . . 1.98 111.201 -177.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 71.7 p -60.7 -30.3 69.87 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.207 -0.451 . . . . 1.26 111.4 -179.56 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 556' ' ' THR . . . . . 0.512 ' O ' ' HG2' ' A' ' 558' ' ' GLN . 67.7 p -108.25 8.97 28.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.466 -0.334 . . . . 1.41 111.639 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 56.84 42.08 27.05 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 115.949 -0.569 . . . . 2.35 111.457 -179.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 558' ' ' GLN . . . . . 0.512 ' HG2' ' O ' ' A' ' 556' ' ' THR . 13.8 mm100 -136.25 148.78 48.2 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.77 0.319 . . . . 2.3 110.635 -174.599 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -134.83 144.81 47.8 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.311 -0.404 . . . . 1.06 110.839 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 560' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -123.35 126.79 47.49 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.07 -0.514 . . . . 0.45 109.664 179.289 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 15.5 tp -124.08 130.48 52.62 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.034 -0.53 . . . . 1.06 109.8 -174.16 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 562' ' ' GLU . . . . . 0.525 ' O ' ' HA ' ' A' ' 547' ' ' VAL . 39.3 tt0 -101.13 139.58 36.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.782 0.325 . . . . 1.85 111.57 -175.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 563' ' ' MET . . . . . 0.744 ' HE3' ' SD ' ' A' ' 572' ' ' MET . 0.6 OUTLIER -114.19 135.21 54.3 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.893 -0.594 . . . . 1.16 111.147 179.144 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 564' ' ' ALA . . . . . 0.443 ' HB3' ' CG2' ' A' ' 548' ' ' THR . . . -60.86 -29.48 69.55 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-N 115.053 -0.976 . . . . 1.13 111.175 -178.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -126.2 133.21 51.6 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 114.967 -1.015 . . . . 1.44 108.544 -177.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 566' ' ' THR . . . . . 0.546 ' HB ' ' O ' ' A' ' 518' ' ' ALA . 5.1 t -63.67 -31.29 72.41 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.871 0.367 . . . . 1.18 110.576 179.764 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -66.66 -33.05 74.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 1.91 110.478 176.33 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 568' ' ' ALA . . . . . 0.456 ' HB2' ' CA ' ' A' ' 545' ' ' GLY . . . -65.4 -43.67 89.88 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.048 -0.524 . . . . 1.07 110.193 178.546 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . 0.41 ' HB1' ' HB2' ' A' ' 563' ' ' MET . . . -67.69 -46.24 72.86 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.733 -0.667 . . . . 1.06 111.233 -179.804 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 570' ' ' GLN . . . . . 0.446 ' O ' ' HG2' ' A' ' 574' ' ' GLN . 48.8 mt-30 -66.62 -45.47 78.99 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.112 -0.495 . . . . 1.35 111.147 -177.762 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -66.55 -37.82 85.79 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.559 -0.291 . . . . 1.09 111.701 -176.247 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 572' ' ' MET . . . . . 0.744 ' SD ' ' HE3' ' A' ' 563' ' ' MET . 15.8 ptp -68.08 -43.68 78.0 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.572 -0.451 . . . . 1.11 109.994 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 573' ' ' VAL . . . . . 0.445 ' N ' ' HG3' ' A' ' 572' ' ' MET . 78.1 t -66.5 -35.27 74.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.959 -0.564 . . . . 1.05 111.387 -178.506 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 574' ' ' GLN . . . . . 0.446 ' HG2' ' O ' ' A' ' 570' ' ' GLN . 29.2 mm-40 -58.02 -38.19 75.73 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.451 -0.574 . . . . 2.38 109.451 175.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 575' ' ' TYR . . . . . 0.452 ' HD2' ' CD2' ' A' ' 576' ' ' TYR . 78.5 t80 -69.77 -49.79 49.57 Favored 'General case' 0 C--O 1.218 -0.553 0 CA-C-N 115.88 -0.6 . . . . 0.99 111.117 173.262 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 576' ' ' TYR . . . . . 0.477 ' CB ' ' HB ' ' A' ' 590' ' ' ILE . 20.1 m-85 -75.91 -17.57 59.72 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 113.41 0.893 . . . . 0.38 113.41 -170.34 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -76.18 -33.26 59.31 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 119.996 -0.682 . . . . 1.86 110.71 173.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -95.59 -37.55 10.8 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.155 -0.475 . . . . 2.07 111.077 -178.054 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -130.06 76.26 78.27 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.0 -0.545 . . . . 2.57 109.8 177.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_exo -70.2 159.37 53.33 Favored 'Trans proline' 0 C--O 1.234 0.324 0 C-N-CA 123.356 2.704 . . . . 0.21 113.051 -174.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -93.32 153.12 18.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.662 -0.699 . . . . 1.02 110.813 -174.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 582' ' ' ILE . . . . . 0.415 HG12 ' HG2' ' A' ' 587' ' ' LYS . 49.3 mt -115.61 132.9 63.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 120.973 0.416 . . . . 1.16 111.974 -172.412 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 583' ' ' ILE . . . . . 0.472 HD12 HD11 ' A' ' 588' ' ' LEU . 22.6 mt -122.04 116.57 49.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.963 -0.562 . . . . 1.42 110.546 172.246 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 47.0 m-80 50.69 45.35 27.1 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 116.07 -0.514 . . . . 1.7 112.19 -179.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 83.52 1.14 90.2 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.773 -0.727 . . . . 0.69 113.344 175.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 586' ' ' GLU . . . . . 0.406 ' O ' ' HA ' ' A' ' 582' ' ' ILE . 23.9 mm-40 -102.81 126.47 49.96 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.905 0.353 . . . . 1.93 110.193 178.13 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 587' ' ' LYS . . . . . 0.415 ' HG2' HG12 ' A' ' 582' ' ' ILE . 98.9 mttt -84.95 107.57 17.15 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.865 -0.42 . . . . 2.64 109.865 177.521 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 588' ' ' LEU . . . . . 0.472 HD11 HD12 ' A' ' 583' ' ' ILE . 35.6 mt -83.22 128.59 34.62 Favored 'General case' 0 CA--C 1.501 -0.916 0 CA-C-N 116.326 -0.397 . . . . 1.09 110.332 -177.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 32.8 tp -84.06 106.85 16.04 Favored 'General case' 0 N--CA 1.433 -1.296 0 N-CA-C 108.133 -1.062 . . . . 1.1 108.133 171.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 590' ' ' ILE . . . . . 0.477 ' HB ' ' CB ' ' A' ' 576' ' ' TYR . 63.8 mt -96.26 115.31 35.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 N-CA-C 107.867 -1.161 . . . . 1.04 107.867 177.325 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 591' ' ' ARG . . . . . 0.435 ' HA ' HG12 ' A' ' 573' ' ' VAL . 19.9 ptt180 -147.32 165.31 30.52 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 112.392 0.515 . . . . 3.66 112.392 -171.007 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 592' ' ' MET . . . . . 0.445 ' HG2' HG11 ' A' ' 573' ' ' VAL . 0.1 OUTLIER -63.15 143.3 57.91 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.499 -0.773 . . . . 1.06 110.637 -173.508 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 38.3 t -86.89 134.95 33.48 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.828 0.347 . . . . 1.57 110.381 176.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 10.8 m -99.03 -17.2 18.39 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.41 0.624 . . . . 2.17 109.807 174.216 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -85.24 -40.83 16.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.718 -0.674 . . . . 3.39 111.283 -176.473 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 43.0 m-85 -114.07 134.01 55.15 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.245 0.545 . . . . 1.27 111.385 -178.047 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -90.5 -35.61 14.99 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.109 -0.951 . . . . 3.84 109.434 173.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 598' ' ' GLU . . . . . 0.462 ' HB2' ' NE2' ' A' ' 514' ' ' GLN . 12.4 pt-20 -153.61 148.92 27.04 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.204 -0.907 . . . . 2.02 109.365 -179.068 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 599' ' ' LEU . . . . . 0.413 HD13 ' HB2' ' A' ' 562' ' ' GLU . 91.5 mt -94.46 103.98 15.95 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.568 -0.53 . . . . 1.09 109.568 175.287 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -82.47 67.74 8.64 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 121.009 0.433 . . . . 3.46 110.875 -173.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 53.7 mt -97.5 41.01 1.13 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.652 0.739 . . . . 1.47 110.746 179.534 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 51.7 tptt -155.21 55.33 0.64 Allowed 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 114.776 -1.102 . . . . 5.81 108.4 176.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -69.2 110.67 6.62 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 114.791 -1.095 . . . . 6.08 110.501 -177.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 604' ' ' PRO . . . . . . . . . . . . . 4.9 Cg_exo -73.02 -65.71 0.03 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.388 0 C-N-CA 123.052 2.501 . . . . 6.24 112.395 -178.228 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 605' ' ' GLY . . . . . . . . . . . . . . . 62.58 35.14 91.39 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.519 -0.848 . . . . 6.9 111.208 -175.12 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -130.31 130.86 45.02 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.697 0.284 . . . . 9.18 110.531 -176.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 44.2 m-80 -95.85 -20.45 18.79 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.183 0.516 . . . . 9.69 109.889 176.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 84.8 t -72.22 -40.43 65.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.602 -0.726 . . . . 9.96 110.068 175.271 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -64.15 111.18 2.45 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 114.987 -1.006 . . . . 9.72 110.57 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -67.76 100.44 0.92 Allowed 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.381 -0.827 . . . . 9.52 109.942 177.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 57.8 mt -82.33 78.43 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-O 121.669 0.747 . . . . 8.52 110.423 -177.518 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 612' ' ' ILE . . . . . 0.498 ' H ' ' HB3' ' A' ' 620' ' ' GLU . 53.0 mt -87.25 84.29 2.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.238 -0.892 . . . . 9.1 110.203 178.186 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -111.5 1.94 17.18 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.185 -0.461 . . . . 10.72 111.304 -178.28 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -59.81 -50.85 72.2 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 121.064 0.459 . . . . 10.41 109.96 176.054 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 615' ' ' ILE . . . . . . . . . . . . . 29.3 pt -72.04 136.0 26.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.799 -0.637 . . . . 8.92 109.742 174.306 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 39.2 m80 -77.78 -3.38 41.09 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.338 0.589 . . . . 7.47 111.125 -175.279 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 10.0 m -80.66 -19.69 44.7 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.578 -0.737 . . . . 6.99 109.043 169.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 618' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 43.58 71.09 0.26 Allowed 'General case' 0 C--O 1.235 0.33 0 C-N-CA 123.535 0.734 . . . . 9.92 111.889 179.552 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -98.33 68.98 1.93 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.278 -0.874 . . . . 13.6 109.053 177.11 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 620' ' ' GLU . . . . . 0.498 ' HB3' ' H ' ' A' ' 612' ' ' ILE . 0.0 OUTLIER -98.5 176.17 5.77 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.616 -0.72 . . . . 11.34 111.534 -175.467 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 31.3 ptt180 . . . . . 0 C--O 1.248 0.981 0 CA-C-O 117.616 -1.183 . . . . 11.92 110.174 177.118 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.709 0 N-CA-C 111.773 -0.531 . . . . 7.0 111.773 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . -80.59 -28.23 37.17 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.007 0.373 . . . . 5.89 112.007 -174.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 89.2 mtp -125.35 104.45 8.47 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.033 0.444 . . . . 6.52 111.182 -179.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 513' ' ' ALA . . . . . 0.563 ' HA ' ' HB ' ' A' ' 548' ' ' THR . . . -146.17 156.05 43.14 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.737 -0.665 . . . . 2.69 109.679 176.383 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 514' ' ' GLN . . . . . 0.548 HE22 ' HB2' ' A' ' 598' ' ' GLU . 81.7 mm-40 68.67 -72.93 0.09 Allowed 'General case' 0 N--CA 1.463 0.198 0 O-C-N 123.99 0.806 . . . . 5.85 110.482 -178.116 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 515' ' ' ARG . . . . . 0.421 ' NH2' ' HB3' ' A' ' 617' ' ' SER . 27.3 mmm180 67.03 -60.64 0.36 Allowed 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 123.744 0.818 . . . . 7.19 112.234 177.479 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 516' ' ' LYS . . . . . 0.411 ' C ' ' H ' ' A' ' 518' ' ' ALA . 32.7 mmtp -86.45 159.45 19.32 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.451 -0.574 . . . . 5.61 109.451 174.57 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -78.85 24.65 2.72 Favored Glycine 0 C--N 1.329 0.192 0 C-N-CA 120.92 -0.657 . . . . 3.59 112.857 -176.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 518' ' ' ALA . . . . . 0.411 ' H ' ' C ' ' A' ' 516' ' ' LYS . . . -155.46 -79.98 0.08 Allowed 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.42 -0.585 . . . . 2.73 109.42 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 75.14 168.47 22.96 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.969 -0.634 . . . . 2.08 112.011 -179.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 520' ' ' ARG . . . . . 0.457 ' HG3' ' OG1' ' A' ' 566' ' ' THR . 31.8 mtp180 -146.91 154.65 41.54 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.265 0.555 . . . . 3.0 110.944 176.265 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 76.5 t -109.25 137.18 42.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 114.812 -1.085 . . . . 1.08 110.093 178.257 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 522' ' ' VAL . . . . . 0.408 HG12 ' CG2' ' A' ' 590' ' ' ILE . 83.3 t -100.93 133.1 45.26 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 CA-C-N 115.991 -0.55 . . . . 1.07 110.294 176.808 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 19.3 t-160 -106.84 117.94 35.37 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.394 -0.965 . . . . 2.21 108.394 178.182 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 524' ' ' ILE . . . . . 0.434 HD13 HG12 ' A' ' 537' ' ' VAL . 82.0 mt -101.43 129.57 52.33 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.913 0 CA-C-O 121.032 0.444 . . . . 1.06 110.474 -173.645 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 525' ' ' CYS . . . . . 0.592 ' HA ' ' OE1' ' A' ' 558' ' ' GLN . 8.5 m -114.01 171.5 7.56 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 114.959 -1.019 . . . . 2.22 110.587 -174.503 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 67.31 26.22 8.58 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.835 -0.62 . . . . 1.74 110.771 178.122 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 82.2 mt -81.78 132.43 54.54 Favored Pre-proline 0 C--N 1.321 -0.639 0 CA-C-N 115.758 -0.655 . . . . 1.09 110.486 179.196 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 528' ' ' PRO . . . . . 0.53 ' HD2' ' SG ' ' A' ' 532' ' ' CYS . 37.4 Cg_endo -69.53 132.36 23.53 Favored 'Trans proline' 0 C--O 1.238 0.502 0 C-N-CA 122.279 1.986 . . . . 0.88 111.361 171.24 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -67.29 125.15 25.18 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.145 -0.48 . . . . 2.98 111.617 -177.322 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 77.36 -18.22 4.57 Favored Glycine 0 CA--C 1.519 0.339 0 CA-C-N 116.02 -0.536 . . . . 0.97 114.046 172.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 8.5 t -82.84 -33.98 26.95 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 117.274 0.537 . . . . 1.63 110.265 -177.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 532' ' ' CYS . . . . . 0.53 ' SG ' ' HD2' ' A' ' 528' ' ' PRO . 56.1 m -68.96 143.48 54.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.938 -0.574 . . . . 1.73 110.383 178.568 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 44.7 p -105.91 169.19 8.63 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.501 -0.555 . . . . 1.27 109.501 174.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -62.44 -37.71 86.92 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.485 0.66 . . . . 1.32 109.393 175.461 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -68.45 -44.17 75.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 114.951 -1.022 . . . . 2.62 111.732 -174.149 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 536' ' ' ASP . . . . . 0.458 ' O ' ' HG ' ' A' ' 540' ' ' LEU . 40.7 m-20 -60.59 -47.57 85.62 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 120.852 0.358 . . . . 0.52 111.65 -175.436 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 537' ' ' VAL . . . . . 0.434 HG12 HD13 ' A' ' 524' ' ' ILE . 76.9 t -62.5 -42.27 95.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.85 -0.614 . . . . 1.07 110.65 -176.76 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 538' ' ' ILE . . . . . 0.472 ' O ' ' HG ' ' A' ' 542' ' ' LEU . 85.2 mt -67.24 -44.95 87.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 116.097 -0.502 . . . . 1.07 110.4 177.573 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 539' ' ' ASN . . . . . 0.423 ' O ' ' HD3' ' A' ' 543' ' ' PRO . 84.7 m-20 -60.48 -28.89 68.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.796 -0.638 . . . . 1.74 111.523 -179.232 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 540' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 536' ' ' ASP . 43.3 mt -75.12 -34.31 61.67 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.013 0.375 . . . . 1.08 112.013 178.589 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -75.33 -42.81 27.06 Favored Glycine 0 N--CA 1.453 -0.195 0 C-N-CA 120.218 -0.991 . . . . 0.26 112.221 -178.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 542' ' ' LEU . . . . . 0.526 ' HA ' ' O ' ' A' ' 545' ' ' GLY . 82.1 mt -48.11 -44.31 60.42 Favored Pre-proline 0 CA--C 1.546 0.814 0 N-CA-C 114.963 1.468 . . . . 1.11 114.963 -174.372 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 543' ' ' PRO . . . . . 0.444 ' HD2' ' O ' ' A' ' 540' ' ' LEU . 44.9 Cg_exo -48.02 -34.74 23.81 Favored 'Trans proline' 0 C--N 1.36 1.176 0 C-N-CA 122.451 2.1 . . . . 0.22 115.75 -173.089 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 544' ' ' PHE . . . . . 0.517 ' HB2' ' CB ' ' A' ' 572' ' ' MET . 93.9 m-85 -112.67 -18.9 12.24 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 119.825 -0.75 . . . . 0.42 112.954 176.419 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 545' ' ' GLY . . . . . 0.543 ' CA ' ' HB1' ' A' ' 568' ' ' ALA . . . -147.64 140.37 8.43 Favored Glycine 0 C--O 1.226 -0.396 0 C-N-CA 120.672 -0.775 . . . . 1.14 112.982 176.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 546' ' ' LYS . . . . . 0.464 ' O ' ' HA ' ' A' ' 563' ' ' MET . 23.9 tptm -76.64 134.7 39.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.943 0.402 . . . . 2.18 111.507 -178.666 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 547' ' ' VAL . . . . . 0.514 ' HA ' ' O ' ' A' ' 562' ' ' GLU . 96.5 t -94.55 136.49 25.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.406 -0.816 . . . . 1.06 110.579 -179.751 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 548' ' ' THR . . . . . 0.563 ' HB ' ' HA ' ' A' ' 513' ' ' ALA . 37.4 p -100.02 -40.81 7.45 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.138 -0.483 . . . . 1.05 111.496 177.657 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -163.15 168.86 20.2 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.022 -0.733 . . . . 1.46 109.022 -178.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 550' ' ' TYR . . . . . 0.439 ' CD2' HD12 ' A' ' 538' ' ' ILE . 51.0 p90 -141.4 152.08 44.02 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.979 0.418 . . . . 0.99 111.578 -174.744 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 46.4 mt -122.34 121.57 64.14 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.578 0 N-CA-C 108.119 -1.067 . . . . 1.19 108.119 167.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 552' ' ' LEU . . . . . . . . . . . . . 50.7 mt -111.62 111.29 22.18 Favored 'General case' 0 C--N 1.311 -1.098 0 CA-C-N 116.282 -0.417 . . . . 1.21 110.517 -177.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 60.9 mtt -107.13 85.06 2.07 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 109.199 -0.667 . . . . 1.46 109.199 176.352 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.52 -28.73 69.39 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 108.768 -0.827 . . . . 1.98 108.768 179.167 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 62.1 p -58.21 -23.94 57.41 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 114.609 -1.178 . . . . 1.26 112.223 176.136 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 77.4 p -107.7 3.85 25.1 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-O 121.24 0.543 . . . . 1.41 109.952 179.109 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 52.2 t30 54.56 41.24 32.07 Favored 'General case' 0 N--CA 1.456 -0.156 0 CA-C-N 114.705 -1.134 . . . . 2.35 110.556 -176.191 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 558' ' ' GLN . . . . . 0.592 ' OE1' ' HA ' ' A' ' 525' ' ' CYS . 13.7 mm100 -147.09 164.88 31.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.753 -0.658 . . . . 2.3 109.782 -175.383 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -132.87 149.88 52.21 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.811 0.339 . . . . 1.06 111.78 -178.475 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 560' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 -124.42 128.69 49.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.775 -0.648 . . . . 0.45 109.289 176.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 15.2 tp -131.75 131.46 43.0 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 110.19 -0.3 . . . . 1.06 110.19 -173.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 562' ' ' GLU . . . . . 0.514 ' O ' ' HA ' ' A' ' 547' ' ' VAL . 33.3 tt0 -100.78 138.89 37.24 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-O 120.99 0.424 . . . . 1.85 111.095 -178.792 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 563' ' ' MET . . . . . 0.764 ' HE1' ' SD ' ' A' ' 572' ' ' MET . 0.9 OUTLIER -112.43 139.91 47.61 Favored 'General case' 0 N--CA 1.444 -0.741 0 CA-C-N 115.722 -0.672 . . . . 1.16 110.368 177.469 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -60.82 -19.15 59.19 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.129 -0.941 . . . . 1.13 111.244 -178.137 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 29.4 m-85 -133.79 137.19 44.99 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 115.363 -0.835 . . . . 1.44 109.048 -178.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 566' ' ' THR . . . . . 0.526 ' O ' ' HG3' ' A' ' 570' ' ' GLN . 8.9 t -65.65 -34.43 78.21 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.357 -0.608 . . . . 1.18 109.357 176.322 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 567' ' ' GLU . . . . . 0.472 ' CD ' ' H ' ' A' ' 567' ' ' GLU . 1.2 mp0 -62.05 -39.23 91.68 Favored 'General case' 0 CA--C 1.515 -0.382 0 CA-C-N 115.964 -0.562 . . . . 1.91 110.482 174.723 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 568' ' ' ALA . . . . . 0.543 ' HB1' ' CA ' ' A' ' 545' ' ' GLY . . . -62.48 -43.76 98.03 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.474 -0.784 . . . . 1.07 110.772 179.407 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -67.59 -45.94 74.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.017 -0.538 . . . . 1.06 111.235 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 570' ' ' GLN . . . . . 0.526 ' HG3' ' O ' ' A' ' 566' ' ' THR . 75.7 mt-30 -64.61 -45.18 88.03 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.198 -0.456 . . . . 1.35 110.713 -179.213 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -62.01 -41.46 98.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.906 -0.588 . . . . 1.09 111.592 -175.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 572' ' ' MET . . . . . 0.764 ' SD ' ' HE1' ' A' ' 563' ' ' MET . 15.9 ptp -69.11 -44.47 72.36 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.778 -0.369 . . . . 1.11 110.479 -178.377 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 573' ' ' VAL . . . . . 0.441 ' N ' ' HG3' ' A' ' 572' ' ' MET . 69.7 t -66.95 -37.83 80.17 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.531 0 CA-C-N 116.196 -0.456 . . . . 1.05 111.397 -175.345 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 574' ' ' GLN . . . . . 0.457 ' HA ' ' OE1' ' A' ' 574' ' ' GLN . 14.4 mm-40 -59.65 -36.57 76.68 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.975 -0.38 . . . . 2.38 109.975 177.145 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 575' ' ' TYR . . . . . 0.428 ' HD2' ' CD2' ' A' ' 576' ' ' TYR . 89.4 t80 -68.62 -49.65 57.56 Favored 'General case' 0 C--O 1.218 -0.565 0 CA-C-N 115.987 -0.551 . . . . 0.99 110.806 172.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 576' ' ' TYR . . . . . 0.465 ' CB ' ' HB ' ' A' ' 590' ' ' ILE . 23.5 m-85 -73.61 -16.74 61.23 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 112.935 0.717 . . . . 0.38 112.935 -172.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -78.39 -28.04 46.87 Favored 'General case' 0 C--N 1.317 -0.842 0 O-C-N 121.806 -0.559 . . . . 1.86 110.596 175.219 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -97.73 -39.12 9.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.018 0.437 . . . . 2.07 111.156 177.269 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 30.6 mtpp -130.29 80.63 70.22 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-N 115.927 -0.579 . . . . 2.57 109.635 176.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -69.32 159.86 52.1 Favored 'Trans proline' 0 CA--C 1.529 0.252 0 C-N-CA 123.65 2.9 . . . . 0.21 113.329 -172.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -92.69 153.62 18.84 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.802 -0.636 . . . . 1.02 110.456 -175.242 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 582' ' ' ILE . . . . . 0.466 HG12 ' HG3' ' A' ' 587' ' ' LYS . 17.5 mt -117.32 133.08 65.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 112.691 0.626 . . . . 1.16 112.691 -167.213 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 583' ' ' ILE . . . . . 0.426 HG13 HD11 ' A' ' 540' ' ' LEU . 35.2 mt -128.41 128.7 68.54 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.115 0 CA-C-N 115.846 -0.616 . . . . 1.42 109.67 169.748 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 11.1 m120 59.77 33.72 21.8 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 122.766 0.427 . . . . 1.7 111.044 178.12 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 76.5 5.66 82.92 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.779 -0.724 . . . . 0.69 112.118 -179.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -105.79 127.83 53.34 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.778 0.323 . . . . 1.93 110.176 -178.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 587' ' ' LYS . . . . . 0.466 ' HG3' HG12 ' A' ' 582' ' ' ILE . 0.1 OUTLIER -84.2 111.09 19.05 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.978 0.418 . . . . 2.64 110.121 -177.821 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 588' ' ' LEU . . . . . 0.407 HD12 ' CD1' ' A' ' 540' ' ' LEU . 32.8 mt -81.83 134.1 35.39 Favored 'General case' 0 CA--C 1.508 -0.644 0 CA-C-N 115.845 -0.616 . . . . 1.09 110.294 -176.575 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 54.7 tp -84.7 107.36 16.85 Favored 'General case' 0 C--N 1.312 -1.036 0 N-CA-C 108.558 -0.905 . . . . 1.1 108.558 171.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 590' ' ' ILE . . . . . 0.465 ' HB ' ' CB ' ' A' ' 576' ' ' TYR . 59.7 mt -96.9 115.11 35.57 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 N-CA-C 108.15 -1.055 . . . . 1.04 108.15 177.609 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 591' ' ' ARG . . . . . 0.431 ' HA ' ' CG1' ' A' ' 573' ' ' VAL . 3.8 ptp180 -135.09 161.4 35.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.202 0.525 . . . . 3.66 112.021 -172.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 592' ' ' MET . . . . . 0.431 ' HG2' HG12 ' A' ' 573' ' ' VAL . 0.1 OUTLIER -66.47 133.79 51.13 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.417 -0.811 . . . . 1.06 109.916 179.035 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 32.7 t -83.78 132.29 34.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.817 0.341 . . . . 1.57 111.091 -177.044 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 11.1 t -98.96 -7.79 26.46 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.158 -0.473 . . . . 2.17 110.046 173.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 88.1 mtt180 -82.46 -39.25 22.81 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.208 -0.451 . . . . 3.39 110.438 -179.467 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -131.55 134.46 46.11 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.199 -0.455 . . . . 1.27 110.545 -179.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 5.3 tppp? -86.81 -36.77 18.34 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.741 -0.837 . . . . 3.84 108.741 171.397 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 598' ' ' GLU . . . . . 0.548 ' HB2' HE22 ' A' ' 514' ' ' GLN . 0.5 OUTLIER -140.17 153.41 46.62 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 114.809 -1.087 . . . . 2.02 109.261 178.543 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 599' ' ' LEU . . . . . . . . . . . . . 90.3 mt -92.53 105.7 17.82 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.547 0.689 . . . . 1.09 109.969 178.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -101.94 89.97 3.82 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 115.602 -0.727 . . . . 3.46 109.819 179.563 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 83.4 mt -71.96 68.35 0.67 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.422 -0.808 . . . . 1.47 110.06 176.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 602' ' ' LYS . . . . . 0.493 ' HD2' ' N ' ' A' ' 602' ' ' LYS . 3.5 mptp? 57.02 46.42 19.36 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-O 121.611 0.719 . . . . 5.81 109.729 -176.659 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -102.79 128.13 28.58 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-N 115.146 -0.933 . . . . 6.08 110.1 -175.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 604' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -75.76 52.77 3.44 Favored 'Trans proline' 0 C--O 1.236 0.381 0 C-N-CA 122.988 2.458 . . . . 6.24 112.639 -179.13 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 605' ' ' GLY . . . . . . . . . . . . . . . 136.0 -134.22 7.08 Favored Glycine 0 N--CA 1.444 -0.805 0 N-CA-C 111.269 -0.732 . . . . 6.9 111.269 -177.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . 0.441 ' HE2' ' HG3' ' A' ' 598' ' ' GLU . 16.5 mmtp -108.77 -79.51 0.58 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.907 0.384 . . . . 9.18 111.216 -179.366 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -91.93 61.25 4.04 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.206 -0.452 . . . . 9.69 110.468 -172.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 47.6 t 67.15 -85.66 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 CA-C-N 115.741 -0.663 . . . . 9.96 111.31 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -101.57 -32.8 10.19 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.834 0.349 . . . . 9.72 110.916 -177.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -93.97 137.95 32.62 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.176 -0.466 . . . . 9.52 110.831 -179.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 61.5 mt -105.77 92.5 2.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-O 121.231 0.539 . . . . 8.52 109.711 175.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 612' ' ' ILE . . . . . 0.427 HD11 ' HA ' ' A' ' 620' ' ' GLU . 85.6 mt -83.58 127.58 39.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.842 -0.617 . . . . 9.1 111.076 -177.438 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -132.14 -54.2 0.98 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.978 -0.555 . . . . 10.72 110.4 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -77.91 -41.39 36.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.071 -0.513 . . . . 10.41 110.614 -178.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 615' ' ' ILE . . . . . 0.422 ' HB ' HG22 ' A' ' 612' ' ' ILE . 50.1 mt -74.59 157.84 6.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.798 -0.637 . . . . 8.92 109.807 179.213 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 33.9 m170 -112.2 -154.38 0.54 Allowed 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.843 -0.428 . . . . 7.47 109.843 174.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 617' ' ' SER . . . . . 0.421 ' HB3' ' NH2' ' A' ' 515' ' ' ARG . 10.4 m -73.62 71.93 1.42 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.101 0.476 . . . . 6.99 110.9 -179.218 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 618' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -134.26 -58.44 0.84 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.004 -0.544 . . . . 9.92 110.701 -178.47 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 53.2 mtm180 -117.52 54.33 0.9 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.268 -0.424 . . . . 13.6 111.422 -179.188 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 620' ' ' GLU . . . . . 0.427 ' HA ' HD11 ' A' ' 612' ' ' ILE . 35.3 tt0 -79.75 93.87 5.65 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.053 0.454 . . . . 11.34 109.891 175.259 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 31.3 mtp180 . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.331 -0.842 . . . . 11.92 109.593 176.584 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.701 0 N-CA-C 112.25 -0.34 . . . . 7.0 112.25 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . -104.52 38.5 1.87 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.328 0.585 . . . . 5.89 110.273 178.625 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 2.0 mpt? -77.87 -21.56 51.15 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.742 -0.663 . . . . 6.52 111.086 -178.009 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 513' ' ' ALA . . . . . 0.439 ' HB2' ' ND2' ' A' ' 549' ' ' ASN . . . -127.69 -159.53 0.95 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.366 -0.379 . . . . 2.69 111.203 -178.283 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 514' ' ' GLN . . . . . 0.464 ' HA ' ' OE1' ' A' ' 514' ' ' GLN . 17.4 mm-40 70.97 91.65 0.09 Allowed 'General case' 0 CA--C 1.519 -0.248 0 CA-C-N 115.134 -0.939 . . . . 5.85 111.014 177.35 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 515' ' ' ARG . . . . . 0.427 ' HB2' ' O ' ' A' ' 564' ' ' ALA . 24.3 mmt180 -102.12 -46.24 4.91 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.281 -0.872 . . . . 7.19 109.633 177.717 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 44.2 mmtm -95.28 159.03 15.2 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.042 -0.725 . . . . 5.61 109.042 168.192 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -75.2 61.1 2.69 Favored Glycine 0 CA--C 1.517 0.196 0 C-N-CA 121.147 -0.549 . . . . 3.59 112.894 -177.057 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 518' ' ' ALA . . . . . . . . . . . . . . . -165.81 -76.89 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 110.102 -0.333 . . . . 2.73 110.102 179.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 74.43 140.8 0.65 Allowed Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.996 -0.621 . . . . 2.08 112.678 179.591 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 75.4 mtt180 -148.19 139.72 23.64 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.934 0.397 . . . . 3.0 110.263 177.162 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 71.0 t -96.71 134.14 35.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 115.755 -0.657 . . . . 1.08 109.799 177.071 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 522' ' ' VAL . . . . . . . . . . . . . 57.4 t -102.04 134.7 41.88 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.026 0 CA-C-N 115.933 -0.576 . . . . 1.07 109.716 177.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 10.7 t-160 -105.42 118.88 37.7 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.658 -0.497 . . . . 2.21 109.658 -176.109 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 524' ' ' ILE . . . . . . . . . . . . . 68.3 mt -102.62 127.72 56.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 115.864 -0.607 . . . . 1.06 109.792 -178.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 8.3 m -114.77 169.85 8.76 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.634 -0.712 . . . . 2.22 111.354 -171.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 66.84 33.37 6.09 Favored 'General case' 0 N--CA 1.464 0.249 0 O-C-N 123.878 0.737 . . . . 1.74 111.456 174.239 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 79.9 mt -86.29 121.28 72.57 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 116.191 -0.458 . . . . 1.09 111.572 -176.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 528' ' ' PRO . . . . . 0.47 ' HD2' ' SG ' ' A' ' 532' ' ' CYS . 37.3 Cg_endo -69.27 132.1 23.37 Favored 'Trans proline' 0 C--O 1.237 0.464 0 C-N-CA 122.601 2.201 . . . . 0.88 111.877 174.43 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -67.49 125.59 26.64 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.097 -0.501 . . . . 2.98 111.5 -178.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 80.59 -17.77 10.08 Favored Glycine 0 N--CA 1.451 -0.308 0 CA-C-N 115.997 -0.547 . . . . 0.97 113.482 175.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 11.4 m -84.86 -36.84 21.3 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 117.091 0.446 . . . . 1.63 110.67 -177.587 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 532' ' ' CYS . . . . . 0.47 ' SG ' ' HD2' ' A' ' 528' ' ' PRO . 76.2 m -87.11 139.18 30.83 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.41 -0.359 . . . . 1.73 110.147 176.04 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 65.1 p -106.0 166.86 10.19 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.806 -0.442 . . . . 1.27 109.806 175.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 534' ' ' GLU . . . . . 0.504 ' HG2' ' CD1' ' A' ' 552' ' ' LEU . 42.9 mt-10 -54.81 -45.45 74.38 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.411 0.624 . . . . 1.32 109.954 179.551 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 13.8 t30 -59.61 -38.46 81.34 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 114.791 -1.095 . . . . 2.62 111.712 -177.508 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 536' ' ' ASP . . . . . 0.522 ' O ' ' HG ' ' A' ' 540' ' ' LEU . 56.4 m-20 -64.39 -48.6 74.81 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 120.982 0.42 . . . . 0.52 110.723 -179.356 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 59.2 t -63.53 -44.02 98.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.414 -0.812 . . . . 1.07 110.9 -174.321 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 87.7 mt -65.28 -45.83 92.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.793 -0.64 . . . . 1.07 110.97 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 539' ' ' ASN . . . . . 0.669 ' O ' ' HD3' ' A' ' 543' ' ' PRO . 89.5 m-20 -66.22 -27.67 68.15 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.978 -0.556 . . . . 1.74 112.201 -175.487 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 540' ' ' LEU . . . . . 0.522 ' HG ' ' O ' ' A' ' 536' ' ' ASP . 29.6 mt -65.21 -36.26 83.61 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.341 0.497 . . . . 1.08 112.341 -179.291 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -79.56 -32.42 37.79 Favored Glycine 0 CA--C 1.516 0.128 0 C-N-CA 120.273 -0.965 . . . . 0.26 112.261 -179.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 542' ' ' LEU . . . . . . . . . . . . . 75.5 mt -52.81 -37.99 53.58 Favored Pre-proline 0 CA--C 1.554 1.097 0 N-CA-C 115.704 1.742 . . . . 1.11 115.704 -175.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 543' ' ' PRO . . . . . 0.669 ' HD3' ' O ' ' A' ' 539' ' ' ASN . 71.3 Cg_exo -50.66 -33.51 39.98 Favored 'Trans proline' 0 C--N 1.354 0.862 0 C-N-CA 121.592 1.528 . . . . 0.22 115.351 -175.564 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 544' ' ' PHE . . . . . 0.553 ' HB2' ' CB ' ' A' ' 572' ' ' MET . 82.5 m-85 -111.56 -19.97 12.34 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 113.055 0.761 . . . . 0.42 113.055 176.679 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 545' ' ' GLY . . . . . 0.584 ' CA ' ' HB1' ' A' ' 568' ' ' ALA . . . -135.31 -161.77 9.46 Favored Glycine 0 C--O 1.223 -0.542 0 C-N-CA 120.421 -0.895 . . . . 1.14 114.005 179.785 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 546' ' ' LYS . . . . . 0.552 ' O ' ' HA ' ' A' ' 563' ' ' MET . 16.7 tppt? -132.55 135.54 46.01 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 122.474 -0.427 . . . . 2.18 110.967 -178.669 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 547' ' ' VAL . . . . . 0.572 ' HA ' ' O ' ' A' ' 562' ' ' GLU . 95.2 t -100.14 133.63 42.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.907 -0.588 . . . . 1.06 110.923 -178.655 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 548' ' ' THR . . . . . 0.413 ' HG1' ' HG3' ' A' ' 562' ' ' GLU . 72.5 p -108.28 -32.3 7.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.104 0.478 . . . . 1.05 110.784 176.178 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 549' ' ' ASN . . . . . 0.439 ' ND2' ' HB2' ' A' ' 513' ' ' ALA . 33.1 m-80 -149.06 166.62 28.19 Favored 'General case' 0 CA--C 1.515 -0.372 0 CA-C-N 115.702 -0.681 . . . . 1.46 109.525 -174.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 37.9 p90 -155.44 149.14 25.27 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.856 0.36 . . . . 0.99 110.472 175.587 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 551' ' ' ILE . . . . . 0.457 HD12 HD21 ' A' ' 599' ' ' LEU . 24.2 mt -131.28 123.78 53.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 108.955 -0.757 . . . . 1.19 108.955 175.677 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 552' ' ' LEU . . . . . 0.504 ' CD1' ' HG2' ' A' ' 534' ' ' GLU . 85.1 mt -111.35 114.1 27.02 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.143 -0.48 . . . . 1.21 111.734 -172.51 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 25.4 mmt -108.08 86.13 2.24 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.874 -0.787 . . . . 1.46 108.874 172.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.94 -34.97 77.61 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.132 -0.485 . . . . 1.98 110.675 -174.71 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 62.6 p -64.79 -28.1 69.34 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.936 -0.575 . . . . 1.26 112.049 -177.235 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 556' ' ' THR . . . . . 0.462 ' O ' ' HG2' ' A' ' 558' ' ' GLN . 75.6 p -98.84 4.13 47.49 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.06 0.457 . . . . 1.41 110.525 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 14.5 m120 56.91 40.44 28.85 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.092 -0.958 . . . . 2.35 110.885 -179.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 558' ' ' GLN . . . . . 0.462 ' HG2' ' O ' ' A' ' 556' ' ' THR . 15.0 mm100 -143.48 148.77 36.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 2.3 110.466 -175.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -133.99 152.67 51.94 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.904 0.383 . . . . 1.06 111.066 178.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 560' ' ' PHE . . . . . . . . . . . . . 55.6 m-85 -119.12 126.34 51.39 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.86 -0.793 . . . . 0.45 108.86 177.05 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 14.7 tp -121.79 129.06 52.38 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 109.761 -0.459 . . . . 1.06 109.761 -176.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 562' ' ' GLU . . . . . 0.572 ' O ' ' HA ' ' A' ' 547' ' ' VAL . 10.0 tp10 -99.64 138.51 36.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.498 -0.319 . . . . 1.85 111.044 -173.03 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 563' ' ' MET . . . . . 0.653 ' HE3' ' SD ' ' A' ' 572' ' ' MET . 21.2 mmt -116.06 135.19 54.18 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.656 0.741 . . . . 1.16 111.688 -172.665 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 564' ' ' ALA . . . . . 0.427 ' O ' ' HB2' ' A' ' 515' ' ' ARG . . . -65.95 -33.8 76.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 114.826 -1.079 . . . . 1.13 111.245 -178.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 565' ' ' TYR . . . . . 0.757 ' HH ' ' HD1' ' A' ' 616' ' ' HIS . 17.5 m-85 -124.4 134.67 53.04 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.721 -0.844 . . . . 1.44 108.721 -175.3 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 9.7 t -68.07 -35.4 78.14 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.346 -0.388 . . . . 1.18 110.808 -177.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -67.13 -35.48 79.83 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-O 121.022 0.439 . . . . 1.91 110.56 175.113 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 568' ' ' ALA . . . . . 0.584 ' HB1' ' CA ' ' A' ' 545' ' ' GLY . . . -62.61 -43.96 97.51 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.646 -0.707 . . . . 1.07 110.504 178.112 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -63.47 -45.73 89.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.708 -0.678 . . . . 1.06 111.195 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 570' ' ' GLN . . . . . 0.587 ' O ' ' HG2' ' A' ' 574' ' ' GLN . 45.9 mt-30 -67.57 -46.21 73.33 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.943 -0.571 . . . . 1.35 111.379 -178.846 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -61.89 -42.13 98.7 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.201 -0.454 . . . . 1.09 111.535 -175.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 572' ' ' MET . . . . . 0.653 ' SD ' ' HE3' ' A' ' 563' ' ' MET . 17.2 ptp -66.29 -44.97 82.03 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.036 0.446 . . . . 1.11 110.222 -179.342 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 573' ' ' VAL . . . . . 0.545 ' CG1' ' HA ' ' A' ' 591' ' ' ARG . 57.7 t -67.29 -36.86 77.86 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.691 0 CA-C-N 115.711 -0.677 . . . . 1.05 111.958 -175.412 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 574' ' ' GLN . . . . . 0.587 ' HG2' ' O ' ' A' ' 570' ' ' GLN . 29.4 mm-40 -59.05 -37.35 76.8 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.538 -0.541 . . . . 2.38 109.538 178.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 89.1 t80 -69.14 -49.68 54.73 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-N 115.769 -0.65 . . . . 0.99 111.149 172.248 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 576' ' ' TYR . . . . . 0.458 ' CB ' ' HB ' ' A' ' 590' ' ' ILE . 22.9 m-85 -72.24 -23.08 61.17 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 113.502 0.927 . . . . 0.38 113.502 -171.375 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -70.04 -30.9 68.29 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 120.132 -0.627 . . . . 1.86 110.562 175.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 50.9 mm-40 -97.52 -38.96 9.37 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.14 0.495 . . . . 2.07 111.312 179.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -126.32 81.94 66.62 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 115.741 -0.663 . . . . 2.57 109.958 175.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_exo -72.32 159.92 48.28 Favored 'Trans proline' 0 C--O 1.234 0.293 0 C-N-CA 123.522 2.815 . . . . 0.21 112.429 -176.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -93.23 144.67 25.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.28 -0.418 . . . . 1.02 110.752 -174.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 65.8 mt -108.89 131.31 59.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 116.333 -0.394 . . . . 1.16 111.794 -173.384 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 583' ' ' ILE . . . . . . . . . . . . . 37.9 mt -122.51 116.66 49.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.124 -0.489 . . . . 1.42 110.499 172.269 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 55.33 43.99 28.07 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.848 -0.614 . . . . 1.7 111.724 175.214 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 86.1 -4.54 85.85 Favored Glycine 0 N--CA 1.45 -0.376 0 CA-C-N 115.917 -0.583 . . . . 0.69 113.47 176.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -102.68 126.26 49.71 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 117.147 0.473 . . . . 1.93 110.256 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -84.69 107.37 16.85 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.52 -0.548 . . . . 2.64 109.52 178.091 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 588' ' ' LEU . . . . . 0.435 HD12 ' CD1' ' A' ' 540' ' ' LEU . 39.9 mt -84.8 124.36 31.48 Favored 'General case' 0 CA--C 1.506 -0.74 0 CA-C-N 116.467 -0.333 . . . . 1.09 110.38 -178.12 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 33.1 tp -83.28 108.56 16.58 Favored 'General case' 0 C--N 1.313 -0.998 0 N-CA-C 108.584 -0.895 . . . . 1.1 108.584 173.269 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 590' ' ' ILE . . . . . 0.458 ' HB ' ' CB ' ' A' ' 576' ' ' TYR . 41.7 mt -96.48 115.47 35.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 108.273 -1.01 . . . . 1.04 108.273 177.655 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 591' ' ' ARG . . . . . 0.545 ' HA ' ' CG1' ' A' ' 573' ' ' VAL . 33.3 ptt180 -145.34 164.76 30.48 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 113.285 0.846 . . . . 3.66 113.285 -174.357 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 592' ' ' MET . . . . . 0.48 ' HG2' HG11 ' A' ' 573' ' ' VAL . 0.6 OUTLIER -68.19 129.35 39.67 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.009 -0.996 . . . . 1.06 111.303 -175.301 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 33.0 t -86.92 129.7 34.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.006 0.432 . . . . 1.57 110.539 176.25 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 8.1 m -98.52 -6.86 29.38 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.696 0.76 . . . . 2.17 109.769 175.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 79.4 mtp180 -88.28 -41.33 12.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.641 -0.709 . . . . 3.39 111.118 -177.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -106.69 134.06 50.41 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.844 0.354 . . . . 1.27 110.587 -179.508 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -90.97 -41.83 10.9 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.812 -0.631 . . . . 3.84 110.373 176.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 598' ' ' GLU . . . . . 0.465 ' HA ' ' OE2' ' A' ' 562' ' ' GLU . 11.1 pt-20 -154.05 146.55 24.05 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.476 -0.784 . . . . 2.02 109.843 -178.575 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 599' ' ' LEU . . . . . 0.457 HD21 HD12 ' A' ' 551' ' ' ILE . 76.1 mt -92.44 111.72 23.41 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.238 0.542 . . . . 1.09 111.462 179.686 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -105.36 100.89 10.46 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.5 -0.773 . . . . 3.46 109.321 174.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 64.5 mt -62.15 143.79 56.26 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.43 -0.805 . . . . 1.47 111.986 -173.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 5.7 tmmm? -73.34 -30.28 63.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 114.856 -1.066 . . . . 5.81 110.275 178.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -82.79 127.81 68.49 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-N 115.901 -0.591 . . . . 6.08 110.48 -178.319 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 604' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -60.07 135.51 63.07 Favored 'Trans proline' 0 C--O 1.235 0.347 0 C-N-CA 122.924 2.416 . . . . 6.24 112.61 -177.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 605' ' ' GLY . . . . . 0.423 ' O ' ' HB2' ' A' ' 606' ' ' LYS . . . 169.74 -175.05 44.0 Favored Glycine 0 N--CA 1.442 -0.963 0 CA-C-N 115.668 -0.696 . . . . 6.9 111.608 -179.445 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . 0.423 ' HB2' ' O ' ' A' ' 605' ' ' GLY . 16.5 mmtp 70.09 123.16 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 121.458 0.647 . . . . 9.18 111.953 -179.483 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 607' ' ' ASN . . . . . 0.454 ' O ' HG12 ' A' ' 611' ' ' ILE . 4.6 t30 -64.7 111.88 2.96 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.334 -0.848 . . . . 9.69 110.443 177.178 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 58.7 t -96.29 -32.25 4.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.994 0.426 . . . . 9.96 110.725 179.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -71.28 97.95 1.66 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 9.72 110.3 178.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . 58.58 85.07 0.1 Allowed 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.568 -0.742 . . . . 9.52 110.242 -174.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . 0.454 HG12 ' O ' ' A' ' 607' ' ' ASN . 64.3 mt -72.57 83.08 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 CA-C-N 114.988 -1.005 . . . . 8.52 111.115 -174.541 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 612' ' ' ILE . . . . . . . . . . . . . 43.1 mt -89.46 64.33 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 121.821 0.819 . . . . 9.1 108.82 173.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 613' ' ' GLN . . . . . 0.416 ' C ' ' H ' ' A' ' 615' ' ' ILE . 31.3 mm-40 -122.6 148.31 45.39 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.207 -0.906 . . . . 10.72 109.864 -178.035 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 614' ' ' ASP . . . . . 0.482 ' O ' ' HB ' ' A' ' 615' ' ' ILE . 21.0 t70 73.97 -35.87 0.32 Allowed 'General case' 0 N--CA 1.468 0.462 0 O-C-N 124.043 0.84 . . . . 10.41 111.944 176.43 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 615' ' ' ILE . . . . . 0.482 ' HB ' ' O ' ' A' ' 614' ' ' ASP . 1.8 mp 77.32 -19.7 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 C-N-CA 123.043 0.537 . . . . 8.92 111.385 175.59 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 616' ' ' HIS . . . . . 0.757 ' HD1' ' HH ' ' A' ' 565' ' ' TYR . 27.7 m170 -99.15 5.01 47.02 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.685 -0.857 . . . . 7.47 108.685 174.804 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 617' ' ' SER . . . . . 0.402 ' HB2' ' HB3' ' A' ' 515' ' ' ARG . 32.4 t -103.27 -68.84 0.82 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.026 -0.988 . . . . 6.99 109.492 176.189 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 618' ' ' GLN . . . . . 0.45 ' NE2' ' HB ' ' A' ' 611' ' ' ILE . 26.9 mt-30 -135.25 147.91 49.41 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.372 -0.831 . . . . 9.92 109.441 178.74 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -127.94 60.46 1.45 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.306 -0.407 . . . . 13.6 110.532 -175.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 620' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 72.39 146.19 0.08 Allowed 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 115.334 -0.848 . . . . 11.34 111.354 178.392 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 15.1 ptm180 . . . . . 0 C--O 1.247 0.946 0 CA-C-O 118.351 -0.833 . . . . 11.92 109.935 176.814 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.533 0 N-CA-C 111.657 -0.577 . . . . 7.0 111.657 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . -159.22 78.34 0.74 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.889 0.376 . . . . 5.89 110.906 -178.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 65.6 mtt -82.29 60.62 5.1 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.493 0.663 . . . . 6.52 109.684 176.15 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 513' ' ' ALA . . . . . 0.431 ' HB3' HD22 ' A' ' 549' ' ' ASN . . . -84.93 152.76 23.29 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.333 -0.849 . . . . 2.69 111.77 -175.037 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 514' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -93.34 1.25 57.02 Favored 'General case' 0 CA--C 1.505 -0.754 0 CA-C-N 115.176 -0.92 . . . . 5.85 109.0 173.301 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 515' ' ' ARG . . . . . 0.418 ' HG2' ' HB2' ' A' ' 598' ' ' GLU . 0.3 OUTLIER 63.97 -87.26 0.02 OUTLIER 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 114.34 -1.3 . . . . 7.19 109.506 -178.934 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 516' ' ' LYS . . . . . 0.642 ' HD2' ' H ' ' A' ' 520' ' ' ARG . 0.3 OUTLIER -133.41 -20.11 2.11 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.057 0.456 . . . . 5.61 110.324 174.933 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 517' ' ' GLY . . . . . 0.518 ' CA ' ' HA ' ' A' ' 617' ' ' SER . . . 83.13 -13.71 43.21 Favored Glycine 0 N--CA 1.446 -0.688 0 N-CA-C 111.026 -0.83 . . . . 3.59 111.026 -171.094 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 518' ' ' ALA . . . . . 0.417 ' H ' ' C ' ' A' ' 516' ' ' LYS . . . -113.83 -77.95 0.58 Allowed 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 114.282 -0.959 . . . . 2.73 110.105 178.199 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 133.63 88.18 0.33 Allowed Glycine 0 N--CA 1.445 -0.754 0 C-N-CA 120.028 -1.082 . . . . 2.08 114.372 173.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 520' ' ' ARG . . . . . 0.642 ' H ' ' HD2' ' A' ' 516' ' ' LYS . 11.9 mtp180 -142.86 139.29 30.8 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 109.431 -0.581 . . . . 3.0 109.431 168.574 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 58.7 t -121.8 139.71 48.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 C-N-CA 122.66 0.384 . . . . 1.08 111.007 178.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 522' ' ' VAL . . . . . 0.453 HG22 ' HE3' ' A' ' 592' ' ' MET . 40.3 t -100.45 134.31 40.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 N-CA-C 109.889 -0.412 . . . . 1.07 109.889 178.144 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 523' ' ' HIS . . . . . 0.431 ' HB3' ' OG ' ' A' ' 593' ' ' SER . 14.4 p-80 -115.05 140.16 49.28 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.183 0.516 . . . . 2.21 110.116 177.283 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 524' ' ' ILE . . . . . 0.428 HD13 HG12 ' A' ' 537' ' ' VAL . 67.1 mt -106.12 128.89 60.14 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.054 0 CA-C-N 115.595 -0.73 . . . . 1.06 110.099 179.248 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 525' ' ' CYS . . . . . 0.438 ' O ' ' HB2' ' A' ' 526' ' ' ASN . 12.6 p -124.29 174.98 7.36 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.825 -0.625 . . . . 2.22 110.144 -177.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 526' ' ' ASN . . . . . 0.482 HD21 ' N ' ' A' ' 526' ' ' ASN . 0.8 OUTLIER 69.33 26.19 5.38 Favored 'General case' 0 N--CA 1.469 0.506 0 O-C-N 123.699 0.624 . . . . 1.74 109.896 -175.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 527' ' ' LEU . . . . . 0.479 ' HB3' ' SG ' ' A' ' 532' ' ' CYS . 82.4 mt -79.14 130.31 69.86 Favored Pre-proline 0 C--N 1.324 -0.541 0 CA-C-N 115.319 -0.855 . . . . 1.09 110.788 -177.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 528' ' ' PRO . . . . . 0.405 ' HD2' ' SG ' ' A' ' 532' ' ' CYS . 37.5 Cg_endo -68.15 133.13 27.84 Favored 'Trans proline' 0 C--O 1.235 0.359 0 C-N-CA 122.391 2.06 . . . . 0.88 111.385 174.237 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -66.84 124.38 22.79 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.279 -0.419 . . . . 2.98 111.116 -175.225 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 80.56 -18.05 9.48 Favored Glycine 0 N--CA 1.452 -0.289 0 CA-C-N 116.091 -0.504 . . . . 0.97 113.514 175.106 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 14.6 m -88.2 -15.68 35.33 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.032 0.444 . . . . 1.63 111.142 -177.033 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 532' ' ' CYS . . . . . 0.479 ' SG ' ' HB3' ' A' ' 527' ' ' LEU . 56.8 m -85.21 135.34 33.99 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.278 -0.419 . . . . 1.73 110.732 -179.635 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 30.0 p -108.32 169.56 8.56 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.591 -0.522 . . . . 1.27 109.591 177.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -63.11 -46.89 85.19 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.35 0.595 . . . . 1.32 109.684 175.075 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -66.36 -44.2 83.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 114.984 -1.007 . . . . 2.62 111.852 -171.13 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 536' ' ' ASP . . . . . 0.538 ' O ' ' HG ' ' A' ' 540' ' ' LEU . 16.5 m-20 -63.95 -45.39 89.37 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 120.724 0.297 . . . . 0.52 111.357 -176.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 537' ' ' VAL . . . . . 0.428 HG12 HD13 ' A' ' 524' ' ' ILE . 98.0 t -61.96 -42.68 95.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.007 -0.542 . . . . 1.07 110.359 -177.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 82.9 mt -67.17 -42.31 87.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.494 . . . . 1.07 110.765 177.272 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 539' ' ' ASN . . . . . 0.437 ' O ' ' HD3' ' A' ' 543' ' ' PRO . 81.2 m-20 -61.47 -30.06 70.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.992 -0.549 . . . . 1.74 112.233 -177.26 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 540' ' ' LEU . . . . . 0.538 ' HG ' ' O ' ' A' ' 536' ' ' ASP . 46.1 mt -69.36 -37.05 77.43 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.068 0.395 . . . . 1.08 112.068 -176.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -75.47 -36.71 43.22 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.258 -0.972 . . . . 0.26 112.233 -178.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 542' ' ' LEU . . . . . 0.501 ' HA ' ' O ' ' A' ' 545' ' ' GLY . 91.3 mt -48.4 -46.76 69.18 Favored Pre-proline 0 CA--C 1.542 0.67 0 N-CA-C 114.522 1.305 . . . . 1.11 114.522 -172.563 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 543' ' ' PRO . . . . . 0.437 ' HD3' ' O ' ' A' ' 539' ' ' ASN . 41.6 Cg_exo -46.7 -34.01 14.69 Favored 'Trans proline' 0 C--N 1.358 1.071 0 C-N-CA 122.484 2.122 . . . . 0.22 115.833 -173.459 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 544' ' ' PHE . . . . . 0.515 ' HB2' ' CB ' ' A' ' 572' ' ' MET . 79.3 m-85 -111.55 -19.1 12.65 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.041 -0.663 . . . . 0.42 112.687 176.552 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 545' ' ' GLY . . . . . 0.501 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . -149.76 132.86 4.17 Favored Glycine 0 CA--C 1.522 0.505 0 C-N-CA 120.911 -0.662 . . . . 1.14 113.088 177.538 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 546' ' ' LYS . . . . . 0.489 ' O ' ' HA ' ' A' ' 563' ' ' MET . 23.7 tptm -71.04 144.23 50.47 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.677 0.275 . . . . 2.18 111.103 178.574 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 547' ' ' VAL . . . . . 0.536 ' HA ' ' O ' ' A' ' 562' ' ' GLU . 92.8 t -95.0 127.94 46.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.821 -0.627 . . . . 1.06 111.377 178.631 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 28.9 p -94.54 -39.58 10.31 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.387 -0.37 . . . . 1.05 111.782 176.049 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 549' ' ' ASN . . . . . 0.431 HD22 ' HB3' ' A' ' 513' ' ' ALA . 55.5 m-80 -149.56 165.69 31.46 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.75 -0.833 . . . . 1.46 108.75 -179.797 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 550' ' ' TYR . . . . . 0.503 ' O ' HD22 ' A' ' 601' ' ' LEU . 12.2 p90 -148.78 149.79 31.97 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 120.626 -0.429 . . . . 0.99 110.588 -179.643 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 29.0 mt -131.29 121.26 48.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 N-CA-C 108.975 -0.75 . . . . 1.19 108.975 173.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 552' ' ' LEU . . . . . . . . . . . . . 50.1 mt -112.43 115.12 28.18 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 115.533 -0.758 . . . . 1.21 111.111 -177.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 62.4 mtt -107.48 83.69 1.85 Allowed 'General case' 0 N--CA 1.445 -0.684 0 N-CA-C 108.628 -0.879 . . . . 1.46 108.628 173.212 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -69.75 -29.46 66.83 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.046 -0.979 . . . . 1.98 110.464 -176.227 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 62.5 p -66.34 -22.94 66.28 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.58 -0.736 . . . . 1.26 111.613 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 68.9 p -105.28 3.82 30.37 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-O 121.282 0.563 . . . . 1.41 110.167 177.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 64.9 t30 56.39 41.55 28.8 Favored 'General case' 0 CA--C 1.521 -0.153 0 CA-C-N 114.674 -1.148 . . . . 2.35 110.893 -178.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -137.86 149.38 46.24 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.047 -0.524 . . . . 2.3 109.869 -177.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -130.2 142.92 50.53 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.38 -0.373 . . . . 1.06 111.259 -176.398 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 560' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -126.59 126.13 43.11 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.761 -0.654 . . . . 0.45 109.412 177.539 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 561' ' ' LEU . . . . . 0.405 HD22 ' HE3' ' A' ' 563' ' ' MET . 15.4 tp -126.54 129.09 47.93 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 116.011 -0.54 . . . . 1.06 110.082 -174.227 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 562' ' ' GLU . . . . . 0.536 ' O ' ' HA ' ' A' ' 547' ' ' VAL . 37.5 tt0 -103.15 137.92 40.66 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.342 -0.39 . . . . 1.85 111.302 -176.082 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 563' ' ' MET . . . . . 0.738 ' HE1' ' SD ' ' A' ' 572' ' ' MET . 13.3 mmt -107.8 159.55 16.42 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.838 -0.619 . . . . 1.16 110.442 -177.106 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -75.72 -22.53 56.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.699 -0.682 . . . . 1.13 112.251 -175.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -137.65 150.65 47.54 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.872 0.368 . . . . 1.44 110.795 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 9.0 t -61.69 -38.06 86.43 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.77 -0.65 . . . . 1.18 110.313 176.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -67.23 -35.34 79.35 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 116.174 -0.466 . . . . 1.91 110.778 175.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 568' ' ' ALA . . . . . 0.47 ' HB1' ' CA ' ' A' ' 545' ' ' GLY . . . -62.48 -42.56 99.57 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.094 0.473 . . . . 1.07 110.311 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . 0.414 ' O ' HG22 ' A' ' 573' ' ' VAL . . . -68.44 -46.99 68.38 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.694 -0.685 . . . . 1.06 111.514 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 570' ' ' GLN . . . . . 0.46 ' O ' ' HG3' ' A' ' 574' ' ' GLN . 48.2 mt-30 -68.86 -46.14 69.23 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.29 -0.413 . . . . 1.35 111.923 -177.649 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -62.11 -38.01 87.29 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.675 0.274 . . . . 1.09 111.392 -175.425 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 572' ' ' MET . . . . . 0.738 ' SD ' ' HE1' ' A' ' 563' ' ' MET . 14.0 ptp -69.11 -45.6 69.77 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 120.655 -0.418 . . . . 1.11 110.365 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 573' ' ' VAL . . . . . 0.487 HG13 ' HG2' ' A' ' 592' ' ' MET . 91.9 t -67.32 -36.88 77.89 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.566 0 CA-C-N 116.192 -0.458 . . . . 1.05 111.259 -176.358 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 574' ' ' GLN . . . . . 0.46 ' HG3' ' O ' ' A' ' 570' ' ' GLN . 52.0 mt-30 -58.96 -37.17 76.17 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.541 -0.54 . . . . 2.38 109.541 175.784 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 54.2 t80 -69.56 -49.66 52.13 Favored 'General case' 0 C--O 1.219 -0.534 0 CA-C-N 115.856 -0.611 . . . . 0.99 110.68 174.012 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 576' ' ' TYR . . . . . 0.438 ' CE1' ' HB2' ' A' ' 572' ' ' MET . 21.7 m-85 -74.84 -17.22 60.64 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.925 0.713 . . . . 0.38 112.925 -172.624 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -74.38 -30.69 62.07 Favored 'General case' 0 C--N 1.319 -0.722 0 O-C-N 122.091 -0.381 . . . . 1.86 110.557 174.122 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -97.54 -40.19 8.77 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.02 0.438 . . . . 2.07 110.97 178.212 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 49.9 mtpt -127.9 79.45 73.69 Favored Pre-proline 0 C--N 1.327 -0.4 0 CA-C-N 115.695 -0.684 . . . . 2.57 109.917 179.037 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_exo -71.67 160.41 48.23 Favored 'Trans proline' 0 C--O 1.235 0.373 0 C-N-CA 123.372 2.714 . . . . 0.21 112.803 -174.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -92.47 150.61 20.67 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.135 -0.484 . . . . 1.02 110.354 -175.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 582' ' ' ILE . . . . . 0.428 ' HA ' ' O ' ' A' ' 586' ' ' GLU . 65.3 mt -117.2 127.87 74.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 N-CA-C 112.112 0.412 . . . . 1.16 112.112 -171.196 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 583' ' ' ILE . . . . . . . . . . . . . 52.4 mt -122.18 120.6 61.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.001 -0.545 . . . . 1.42 110.447 172.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 59.27 40.38 21.43 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.862 -0.608 . . . . 1.7 111.307 177.327 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 80.43 0.92 88.03 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.982 -0.628 . . . . 0.69 112.818 178.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 586' ' ' GLU . . . . . 0.428 ' O ' ' HA ' ' A' ' 582' ' ' ILE . 17.1 mm-40 -101.14 126.37 47.84 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 110.183 -0.302 . . . . 1.93 110.183 -178.732 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 36.3 mtmm -83.21 107.36 15.7 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.704 -0.48 . . . . 2.64 109.704 177.269 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 588' ' ' LEU . . . . . 0.51 HD13 ' CD1' ' A' ' 540' ' ' LEU . 32.3 mt -86.29 121.74 29.29 Favored 'General case' 0 CA--C 1.502 -0.869 0 CA-C-N 115.792 -0.64 . . . . 1.09 110.183 -177.631 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 589' ' ' LEU . . . . . 0.419 ' HG ' ' HG3' ' A' ' 591' ' ' ARG . 18.6 tp -83.61 109.0 17.07 Favored 'General case' 0 N--CA 1.434 -1.244 0 N-CA-C 108.415 -0.957 . . . . 1.1 108.415 175.248 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 590' ' ' ILE . . . . . . . . . . . . . 49.5 mt -95.12 117.1 38.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 108.69 -0.856 . . . . 1.04 108.69 -179.397 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 591' ' ' ARG . . . . . 0.419 ' HG3' ' HG ' ' A' ' 589' ' ' LEU . 66.1 mtm180 -132.33 162.29 31.43 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 113.528 0.936 . . . . 3.66 113.528 -170.151 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 592' ' ' MET . . . . . 0.487 ' HG2' HG13 ' A' ' 573' ' ' VAL . 0.1 OUTLIER -76.15 129.61 37.03 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 114.783 -1.099 . . . . 1.06 110.792 -177.775 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 593' ' ' SER . . . . . 0.431 ' OG ' ' HB3' ' A' ' 523' ' ' HIS . 16.7 m -87.68 126.45 34.98 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.664 0.269 . . . . 1.57 110.777 175.83 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 14.8 t -98.3 -7.23 29.4 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.576 0.703 . . . . 2.17 109.561 176.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 60.8 mtp180 -91.63 -11.11 38.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.425 -0.807 . . . . 3.39 111.363 -179.124 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 58.1 m-85 -131.96 132.67 43.71 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.8 0.333 . . . . 1.27 110.697 -178.01 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -92.48 -41.5 10.25 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.569 0.699 . . . . 3.84 110.261 170.374 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 598' ' ' GLU . . . . . 0.418 ' HB2' ' HG2' ' A' ' 515' ' ' ARG . 15.7 pt-20 -156.21 149.62 24.62 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.931 -0.577 . . . . 2.02 110.757 -178.412 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 599' ' ' LEU . . . . . . . . . . . . . 94.5 mt -89.46 112.53 23.71 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.556 -0.747 . . . . 1.09 110.592 -177.147 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 -99.57 94.47 6.41 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.937 -0.574 . . . . 3.46 110.714 -178.148 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 601' ' ' LEU . . . . . 0.503 HD22 ' O ' ' A' ' 550' ' ' TYR . 93.1 mt -77.72 76.77 4.25 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.653 -0.703 . . . . 1.47 110.574 177.765 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 81.4 tttt 58.87 43.95 17.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.955 0.884 . . . . 5.81 108.969 -177.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -118.36 118.88 33.6 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-N 114.755 -1.111 . . . . 6.08 109.743 -177.053 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 604' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_endo -81.25 -0.55 10.59 Favored 'Trans proline' 0 C--O 1.234 0.298 0 C-N-CA 122.569 2.179 . . . . 6.24 112.202 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 605' ' ' GLY . . . . . . . . . . . . . . . 104.33 148.14 18.14 Favored Glycine 0 N--CA 1.445 -0.749 0 CA-C-N 115.671 -0.695 . . . . 6.9 111.644 -177.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . 0.477 ' HB3' ' HZ2' ' A' ' 606' ' ' LYS . 2.0 mmmp? -83.51 81.78 8.58 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.331 -0.618 . . . . 9.18 109.331 179.453 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -112.3 -16.77 12.89 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.985 -0.552 . . . . 9.69 112.004 -170.29 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 99.4 t -64.92 -38.95 84.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 121.139 0.495 . . . . 9.96 110.562 -179.323 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -116.35 92.23 3.82 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.372 -0.603 . . . . 9.72 109.372 173.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -53.93 115.8 2.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.832 -0.622 . . . . 9.52 112.014 -174.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 4.1 mp -79.99 99.1 3.62 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.706 0 N-CA-C 108.944 -0.762 . . . . 8.52 108.944 175.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 612' ' ' ILE . . . . . . . . . . . . . 42.3 mt -84.7 62.04 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-O 121.714 0.769 . . . . 9.1 109.464 -177.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 613' ' ' GLN . . . . . 0.441 ' HA ' ' O ' ' A' ' 617' ' ' SER . 27.1 mt-30 52.52 38.07 24.65 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 114.645 -1.161 . . . . 10.72 111.617 -177.279 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -72.35 -61.93 1.62 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.715 -0.675 . . . . 10.41 110.435 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 615' ' ' ILE . . . . . 0.413 HD13 ' O ' ' A' ' 615' ' ' ILE . 1.2 pp -132.3 128.72 58.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.809 -0.632 . . . . 8.92 111.391 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 616' ' ' HIS . . . . . 0.431 ' C ' ' HA3' ' A' ' 517' ' ' GLY . 36.5 m80 70.09 -58.72 0.53 Allowed 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 123.705 0.802 . . . . 7.47 112.376 177.562 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 617' ' ' SER . . . . . 0.518 ' HA ' ' CA ' ' A' ' 517' ' ' GLY . 49.8 m -61.07 124.77 21.49 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.473 0.545 . . . . 6.99 112.473 -174.323 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 618' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -99.08 18.07 18.25 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.296 -0.866 . . . . 9.92 108.956 172.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 25.8 mmm180 -135.98 161.0 36.88 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.412 -1.267 . . . . 13.6 109.253 178.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 620' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -107.4 177.5 4.82 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.822 0.344 . . . . 11.34 110.335 179.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 13.3 mmm180 . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.362 -0.827 . . . . 11.92 109.209 173.575 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.722 0 N-CA-C 111.898 -0.481 . . . . 7.0 111.898 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . -87.3 -57.71 2.86 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.794 0.331 . . . . 5.89 111.449 -178.308 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 20.8 ptp -103.93 -166.04 1.21 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.425 -0.352 . . . . 6.52 110.755 -176.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . 69.14 -137.71 0.08 Allowed 'General case' 0 C--O 1.233 0.192 0 O-C-N 123.727 0.642 . . . . 2.69 111.366 -178.535 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 514' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -67.46 80.34 0.16 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.952 0.406 . . . . 5.85 111.985 -171.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 70.5 mtp180 -75.38 -54.25 7.37 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 108.596 -0.89 . . . . 7.19 108.596 175.065 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 516' ' ' LYS . . . . . 0.507 ' HG2' ' HB3' ' A' ' 616' ' ' HIS . 97.8 mttt -106.27 -25.32 12.01 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.994 -1.003 . . . . 5.61 110.145 173.372 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 517' ' ' GLY . . . . . 0.482 ' C ' ' H ' ' A' ' 519' ' ' GLY . . . 79.89 -8.77 48.75 Favored Glycine 0 N--CA 1.449 -0.49 0 N-CA-C 111.022 -0.831 . . . . 3.59 111.022 -175.492 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 518' ' ' ALA . . . . . 0.45 ' HA ' ' N ' ' A' ' 566' ' ' THR . . . 72.62 -27.38 0.18 Allowed 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 124.685 1.194 . . . . 2.73 112.123 179.745 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 519' ' ' GLY . . . . . 0.482 ' H ' ' C ' ' A' ' 517' ' ' GLY . . . 64.81 13.72 57.03 Favored Glycine 0 N--CA 1.442 -0.909 0 N-CA-C 110.95 -0.86 . . . . 2.08 110.95 -172.454 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 520' ' ' ARG . . . . . 0.426 HH11 ' HD3' ' A' ' 520' ' ' ARG . 52.3 mtt180 -147.57 142.54 26.96 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-O 121.061 0.458 . . . . 3.0 111.061 -173.609 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 60.7 t -118.75 138.47 49.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 115.35 -0.841 . . . . 1.08 109.927 175.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 522' ' ' VAL . . . . . . . . . . . . . 89.3 t -99.11 130.92 47.32 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.877 0 CA-C-O 121.227 0.537 . . . . 1.07 110.312 179.228 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -106.04 123.27 47.73 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.476 -0.783 . . . . 2.21 109.747 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 524' ' ' ILE . . . . . 0.421 HD12 HG12 ' A' ' 537' ' ' VAL . 77.5 mt -103.76 132.1 50.93 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.891 0 CA-C-N 115.426 -0.807 . . . . 1.06 109.325 179.695 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 525' ' ' CYS . . . . . 0.458 ' SG ' ' HB3' ' A' ' 589' ' ' LEU . 2.1 p -126.75 172.27 10.48 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.154 -0.476 . . . . 2.22 111.276 -174.352 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 68.59 25.96 6.48 Favored 'General case' 0 N--CA 1.468 0.436 0 O-C-N 124.116 0.885 . . . . 1.74 110.59 -176.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 85.0 mt -81.6 121.99 80.23 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 115.863 -0.608 . . . . 1.09 110.56 -178.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 528' ' ' PRO . . . . . 0.473 ' HD2' ' SG ' ' A' ' 532' ' ' CYS . 32.2 Cg_endo -67.28 130.55 22.82 Favored 'Trans proline' 0 N--CA 1.46 -0.466 0 C-N-CA 121.706 1.604 . . . . 0.88 111.313 176.188 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -68.51 125.72 27.39 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.063 -0.517 . . . . 2.98 111.607 -176.514 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 85.29 -16.41 39.25 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 121.044 -0.598 . . . . 0.97 112.699 176.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 18.1 m -91.83 -25.86 18.79 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.965 0.412 . . . . 1.63 110.659 -179.408 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 532' ' ' CYS . . . . . 0.473 ' SG ' ' HD2' ' A' ' 528' ' ' PRO . 38.0 m -85.94 138.91 31.66 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.141 -0.481 . . . . 1.73 110.507 179.055 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 44.1 p -110.68 169.84 8.49 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.75 -0.463 . . . . 1.27 109.75 175.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -61.33 -42.66 99.05 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.315 -0.624 . . . . 1.32 109.315 175.286 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -61.9 -43.88 97.93 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.162 -0.926 . . . . 2.62 111.747 -175.539 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 536' ' ' ASP . . . . . 0.603 ' O ' ' HG ' ' A' ' 540' ' ' LEU . 13.7 m-20 -64.05 -48.05 77.78 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.817 0.341 . . . . 0.52 111.071 -176.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 537' ' ' VAL . . . . . 0.421 HG12 HD12 ' A' ' 524' ' ' ILE . 96.1 t -63.7 -45.0 98.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.939 -0.573 . . . . 1.07 111.302 -175.684 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 538' ' ' ILE . . . . . 0.461 ' O ' ' HG ' ' A' ' 542' ' ' LEU . 90.4 mt -67.12 -45.78 85.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.394 -0.366 . . . . 1.07 111.014 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 539' ' ' ASN . . . . . 0.541 ' O ' ' HD3' ' A' ' 543' ' ' PRO . 23.7 m-80 -66.25 -26.65 67.46 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.394 0.516 . . . . 1.74 112.394 -178.042 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 540' ' ' LEU . . . . . 0.603 ' HG ' ' O ' ' A' ' 536' ' ' ASP . 35.2 mt -68.01 -35.2 77.9 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.75 -0.38 . . . . 1.08 111.665 177.159 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -79.02 -37.78 24.52 Favored Glycine 0 N--CA 1.453 -0.18 0 C-N-CA 120.394 -0.907 . . . . 0.26 112.329 -178.687 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 542' ' ' LEU . . . . . 0.525 ' HA ' ' O ' ' A' ' 545' ' ' GLY . 96.9 mt -47.78 -45.08 60.0 Favored Pre-proline 0 CA--C 1.545 0.78 0 N-CA-C 115.112 1.523 . . . . 1.11 115.112 -175.139 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 543' ' ' PRO . . . . . 0.541 ' HD3' ' O ' ' A' ' 539' ' ' ASN . 30.6 Cg_exo -47.01 -35.07 17.98 Favored 'Trans proline' 0 C--N 1.361 1.206 0 C-N-CA 122.656 2.237 . . . . 0.22 115.67 -172.747 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 544' ' ' PHE . . . . . 0.427 ' HB2' ' CB ' ' A' ' 572' ' ' MET . 88.8 m-85 -111.79 -18.03 12.82 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 119.927 -0.709 . . . . 0.42 112.684 177.211 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 545' ' ' GLY . . . . . 0.525 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . -150.05 138.09 6.55 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.692 -0.766 . . . . 1.14 112.955 178.555 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 58.4 tptt -76.01 138.51 40.95 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.88 0.371 . . . . 2.18 111.37 -179.029 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 547' ' ' VAL . . . . . 0.479 ' HA ' ' O ' ' A' ' 562' ' ' GLU . 95.6 t -93.54 136.53 24.99 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.572 0 CA-C-N 115.35 -0.841 . . . . 1.06 110.812 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 39.9 p -104.31 -40.13 6.22 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.257 0.551 . . . . 1.05 111.597 179.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 68.1 m-80 -149.08 166.72 27.89 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.515 -0.92 . . . . 1.46 108.515 -178.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 41.4 p90 -146.64 149.84 34.28 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.535 -0.466 . . . . 0.99 111.04 177.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 24.8 mt -130.85 123.31 54.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 109.003 -0.74 . . . . 1.19 109.003 173.307 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 552' ' ' LEU . . . . . . . . . . . . . 70.8 mt -111.27 114.41 27.58 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 115.905 -0.588 . . . . 1.21 110.708 -176.178 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 60.0 mtt -107.46 85.13 2.07 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.402 -0.592 . . . . 1.46 109.402 176.108 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.15 -30.42 69.55 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.538 -0.542 . . . . 1.98 109.538 -179.468 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 64.5 p -66.45 -31.27 71.91 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.301 -0.863 . . . . 1.26 111.965 -178.188 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 76.7 p -105.04 10.79 33.92 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-O 121.197 0.522 . . . . 1.41 110.23 -178.197 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 4.9 t30 57.34 42.44 24.96 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 114.81 -1.087 . . . . 2.35 110.843 177.218 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -147.13 152.99 39.38 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.067 0.46 . . . . 2.3 111.188 -175.466 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -130.57 146.19 52.04 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.378 -0.374 . . . . 1.06 110.349 175.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 560' ' ' PHE . . . . . 0.4 ' HB3' HD23 ' A' ' 599' ' ' LEU . 71.7 m-85 -124.8 128.85 49.36 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.959 -0.564 . . . . 0.45 109.569 179.613 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 561' ' ' LEU . . . . . 0.415 ' HB3' ' HE2' ' A' ' 563' ' ' MET . 15.1 tp -124.49 137.01 54.46 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.199 -0.455 . . . . 1.06 110.2 -172.604 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 562' ' ' GLU . . . . . 0.479 ' O ' ' HA ' ' A' ' 547' ' ' VAL . 28.3 tt0 -107.13 139.33 41.74 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 122.421 0.289 . . . . 1.85 110.434 -175.55 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 563' ' ' MET . . . . . 0.732 ' HE1' ' SD ' ' A' ' 572' ' ' MET . 0.6 OUTLIER -114.4 153.3 30.11 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.569 0.699 . . . . 1.16 111.917 -176.105 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -75.25 -29.95 60.35 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 115.186 -0.915 . . . . 1.13 111.776 -176.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -127.87 144.14 51.1 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.171 -0.677 . . . . 1.44 109.171 -177.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 566' ' ' THR . . . . . 0.45 ' N ' ' HA ' ' A' ' 518' ' ' ALA . 2.2 t -61.67 -35.98 79.55 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.105 -0.498 . . . . 1.18 110.921 -179.548 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -67.66 -32.96 74.01 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.718 -0.673 . . . . 1.91 110.841 176.017 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 568' ' ' ALA . . . . . 0.505 ' HB1' ' CA ' ' A' ' 545' ' ' GLY . . . -61.93 -44.54 96.57 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.15 -0.477 . . . . 1.07 110.389 -176.63 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -68.1 -46.31 71.29 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.904 -0.589 . . . . 1.06 111.277 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 570' ' ' GLN . . . . . 0.5 ' O ' ' HG2' ' A' ' 574' ' ' GLN . 46.0 mt-30 -68.76 -46.01 69.92 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.378 -0.374 . . . . 1.35 111.774 -177.207 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -63.8 -41.74 97.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.385 -0.37 . . . . 1.09 111.593 -175.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 572' ' ' MET . . . . . 0.732 ' SD ' ' HE1' ' A' ' 563' ' ' MET . 14.9 ptp -65.34 -44.6 87.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.027 0.441 . . . . 1.11 109.949 179.74 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 573' ' ' VAL . . . . . 0.492 ' N ' ' HG3' ' A' ' 572' ' ' MET . 51.6 t -67.04 -37.59 79.64 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.655 0 CA-C-N 115.787 -0.642 . . . . 1.05 111.617 -176.116 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 574' ' ' GLN . . . . . 0.5 ' HG2' ' O ' ' A' ' 570' ' ' GLN . 28.9 mm-40 -60.13 -36.98 78.68 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.574 -0.528 . . . . 2.38 109.574 176.519 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -68.57 -47.53 66.57 Favored 'General case' 0 C--O 1.218 -0.58 0 CA-C-N 115.715 -0.675 . . . . 0.99 110.693 174.161 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 576' ' ' TYR . . . . . 0.468 ' CB ' ' HB ' ' A' ' 590' ' ' ILE . 21.1 m-85 -76.75 -17.84 58.82 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 113.18 0.807 . . . . 0.38 113.18 -173.2 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 62.0 mt-30 -79.06 -26.89 43.04 Favored 'General case' 0 C--N 1.318 -0.804 0 C-N-CA 120.013 -0.675 . . . . 1.86 110.932 174.399 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -96.7 -38.59 9.86 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.172 0.51 . . . . 2.07 110.715 177.466 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -129.94 82.32 66.8 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-N 115.692 -0.685 . . . . 2.57 109.548 176.008 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 580' ' ' PRO . . . . . 0.438 ' HB3' ' O ' ' A' ' 588' ' ' LEU . 14.7 Cg_exo -71.65 159.19 51.69 Favored 'Trans proline' 0 CA--C 1.529 0.272 0 C-N-CA 123.429 2.753 . . . . 0.21 112.87 -174.432 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -93.42 153.08 18.7 Favored 'General case' 0 C--O 1.222 -0.345 0 CA-C-N 116.142 -0.481 . . . . 1.02 110.284 -176.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 582' ' ' ILE . . . . . 0.447 HG12 ' HG2' ' A' ' 587' ' ' LYS . 56.8 mt -114.45 127.42 71.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 112.411 0.523 . . . . 1.16 112.411 -170.545 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 583' ' ' ILE . . . . . . . . . . . . . 16.9 mt -122.5 123.41 68.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.867 -0.606 . . . . 1.42 110.459 171.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 53.8 m-80 51.71 45.74 27.65 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 115.905 -0.589 . . . . 1.7 112.109 -178.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 78.01 8.31 87.39 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.981 -0.628 . . . . 0.69 113.683 173.249 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -116.39 133.41 56.05 Favored 'General case' 0 N--CA 1.433 -1.32 0 CA-C-N 117.305 0.552 . . . . 1.93 109.86 178.386 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 587' ' ' LYS . . . . . 0.447 ' HG2' HG12 ' A' ' 582' ' ' ILE . 52.2 mtmt -83.51 107.87 16.27 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.016 -0.538 . . . . 2.64 110.152 179.261 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 588' ' ' LEU . . . . . 0.438 ' O ' ' HB3' ' A' ' 580' ' ' PRO . 37.6 mt -77.63 128.73 34.58 Favored 'General case' 0 CA--C 1.505 -0.776 0 CA-C-N 115.764 -0.653 . . . . 1.09 110.403 -176.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 589' ' ' LEU . . . . . 0.458 ' HB3' ' SG ' ' A' ' 525' ' ' CYS . 53.4 tp -82.8 108.16 15.94 Favored 'General case' 0 C--N 1.309 -1.164 0 N-CA-C 108.01 -1.107 . . . . 1.1 108.01 171.326 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 590' ' ' ILE . . . . . 0.468 ' HB ' ' CB ' ' A' ' 576' ' ' TYR . 59.4 mt -96.7 114.71 34.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 N-CA-C 107.412 -1.329 . . . . 1.04 107.412 177.631 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 591' ' ' ARG . . . . . 0.44 ' HA ' ' CG1' ' A' ' 573' ' ' VAL . 12.7 ptt180 -142.06 165.05 28.5 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.367 0.506 . . . . 3.66 112.367 -169.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 592' ' ' MET . . . . . 0.421 ' HG2' HG13 ' A' ' 573' ' ' VAL . 0.3 OUTLIER -72.2 128.33 35.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.532 -0.758 . . . . 1.06 110.506 -175.421 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 45.7 t -87.52 133.91 33.7 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.686 0.279 . . . . 1.57 110.513 178.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 2.9 p -98.84 -8.24 26.1 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.065 0.459 . . . . 2.17 110.881 174.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -77.13 -36.49 55.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.012 -0.54 . . . . 3.39 110.426 -179.266 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -119.1 135.51 54.62 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.191 0.519 . . . . 1.27 111.633 178.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 34.4 mtmm -90.47 -21.67 21.76 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.692 -0.855 . . . . 3.84 108.692 168.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -160.21 158.29 29.78 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.791 -1.095 . . . . 2.02 108.998 178.585 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 599' ' ' LEU . . . . . 0.44 HD13 ' HB2' ' A' ' 562' ' ' GLU . 98.6 mt -92.93 -61.75 1.52 Allowed 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 109.286 -0.635 . . . . 1.09 109.286 175.623 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 44.32 87.65 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 O-C-N 124.743 1.277 . . . . 3.46 111.56 -179.205 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 90.9 mt -64.25 -176.33 0.21 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.476 -0.784 . . . . 1.47 111.716 -176.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -54.66 -36.85 65.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.274 0.559 . . . . 5.81 109.514 174.486 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 50.7 mtpt -76.01 118.2 69.49 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 115.394 -0.821 . . . . 6.08 109.49 171.31 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 604' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -80.64 38.29 0.74 Allowed 'Trans proline' 0 N--CA 1.464 -0.239 0 C-N-CA 122.501 2.134 . . . . 6.24 112.387 -179.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 605' ' ' GLY . . . . . . . . . . . . . . . 66.11 -106.32 1.55 Allowed Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 121.008 -0.615 . . . . 6.9 111.795 -176.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -129.62 49.8 2.23 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.102 0.477 . . . . 9.18 110.444 -179.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -76.0 86.91 2.92 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.995 -0.548 . . . . 9.69 109.792 177.242 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 45.1 t -98.93 -58.12 4.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.847 -0.615 . . . . 9.96 109.92 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -99.4 -64.0 1.08 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.586 -0.734 . . . . 9.72 110.014 178.371 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -170.36 144.61 2.54 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.815 -0.629 . . . . 9.52 109.796 179.411 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 59.4 mt -112.85 82.64 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 N-CA-C 109.364 -0.606 . . . . 8.52 109.364 176.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 612' ' ' ILE . . . . . . . . . . . . . 52.8 mt -76.72 118.2 22.83 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.527 0 CA-C-N 115.743 -0.662 . . . . 9.1 109.436 179.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -107.7 13.81 26.19 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.861 -0.608 . . . . 10.72 111.683 -172.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -61.92 -51.45 68.09 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 108.866 -0.79 . . . . 10.41 108.866 174.508 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 615' ' ' ILE . . . . . . . . . . . . . 74.6 mt -100.0 112.27 32.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 107.806 -1.183 . . . . 8.92 107.806 164.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 616' ' ' HIS . . . . . 0.507 ' HB3' ' HG2' ' A' ' 516' ' ' LYS . 31.5 m80 -75.28 70.11 2.17 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.738 0.644 . . . . 7.47 112.738 -172.578 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 33.0 p -145.31 30.26 1.14 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.35 -0.841 . . . . 6.99 109.28 170.338 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 618' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 53.68 71.39 0.51 Allowed 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 114.8 -1.091 . . . . 9.92 111.527 -177.53 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 28.8 mmm180 -90.06 163.13 15.01 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.867 -0.606 . . . . 13.6 110.028 179.559 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 620' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -157.67 174.33 15.5 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.211 -0.449 . . . . 11.34 110.143 -179.097 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 68.5 mtm180 . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.527 -0.749 . . . . 11.92 109.725 174.509 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.763 0 N-CA-C 112.13 -0.388 . . . . 7.0 112.13 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . -144.41 116.62 8.44 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.796 0.332 . . . . 5.89 110.618 179.44 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 80.6 mtp -119.65 36.22 4.58 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.269 0.557 . . . . 6.52 110.092 179.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 513' ' ' ALA . . . . . 0.442 ' HA ' ' HB ' ' A' ' 548' ' ' THR . . . -64.71 136.33 56.83 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.454 -0.794 . . . . 2.69 110.563 178.081 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 514' ' ' GLN . . . . . 0.633 ' O ' ' HA ' ' A' ' 617' ' ' SER . 30.2 mm-40 -85.08 -17.69 36.61 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 110.212 -0.292 . . . . 5.85 110.212 177.715 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 515' ' ' ARG . . . . . 0.462 ' HB2' ' O ' ' A' ' 514' ' ' GLN . 88.0 mtt180 70.31 -34.14 0.28 Allowed 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.016 0.526 . . . . 7.19 111.543 -178.721 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 516' ' ' LYS . . . . . 0.506 ' H ' ' C ' ' A' ' 514' ' ' GLN . 28.1 mtpp -43.07 -39.93 2.93 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.53 -0.759 . . . . 5.61 110.931 171.763 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 517' ' ' GLY . . . . . 0.535 ' C ' ' H ' ' A' ' 519' ' ' GLY . . . 67.36 17.49 68.5 Favored Glycine 0 N--CA 1.443 -0.87 0 CA-C-N 114.879 -1.055 . . . . 3.59 111.512 -178.669 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 518' ' ' ALA . . . . . 0.494 ' O ' ' HB ' ' A' ' 566' ' ' THR . . . 68.94 -22.59 0.14 Allowed 'General case' 0 N--CA 1.463 0.188 0 C-N-CA 123.661 0.784 . . . . 2.73 111.654 -175.327 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 519' ' ' GLY . . . . . 0.535 ' H ' ' C ' ' A' ' 517' ' ' GLY . . . 93.23 -3.6 72.93 Favored Glycine 0 N--CA 1.44 -1.064 0 N-CA-C 109.499 -1.44 . . . . 2.08 109.499 -168.57 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 87.6 mtt180 -150.13 138.83 20.77 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 114.65 -0.775 . . . . 3.0 109.667 179.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 521' ' ' VAL . . . . . 0.454 ' O ' ' HB3' ' A' ' 593' ' ' SER . 61.5 t -112.95 139.12 39.7 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.874 0 N-CA-C 109.025 -0.732 . . . . 1.08 109.025 174.54 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 522' ' ' VAL . . . . . . . . . . . . . 86.1 t -99.58 133.89 40.8 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.871 0 CA-C-O 120.61 0.243 . . . . 1.07 110.426 -178.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 3.8 p-80 -110.69 140.05 45.41 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.655 -0.418 . . . . 2.21 109.934 178.385 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 524' ' ' ILE . . . . . 0.434 HD13 HG11 ' A' ' 537' ' ' VAL . 77.8 mt -112.12 130.04 66.52 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 115.812 -0.631 . . . . 1.06 110.774 -178.72 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 66.7 m -111.1 174.9 5.64 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.675 -0.693 . . . . 2.22 110.894 -177.604 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 13.6 m120 68.82 27.05 5.82 Favored 'General case' 0 N--CA 1.467 0.422 0 O-C-N 123.724 0.64 . . . . 1.74 111.599 177.541 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 85.7 mt -88.4 119.6 70.23 Favored Pre-proline 0 C--N 1.321 -0.636 0 CA-C-N 116.524 -0.307 . . . . 1.09 111.229 -177.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 528' ' ' PRO . . . . . 0.821 ' HD2' ' SG ' ' A' ' 532' ' ' CYS . 22.3 Cg_exo -68.34 130.81 21.91 Favored 'Trans proline' 0 C--O 1.237 0.462 0 C-N-CA 122.157 1.905 . . . . 0.88 112.028 169.373 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.33 139.76 52.08 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.009 -0.541 . . . . 2.98 111.042 176.732 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 80.14 -19.47 6.64 Favored Glycine 0 CA--C 1.518 0.228 0 CA-C-N 116.168 -0.469 . . . . 0.97 113.808 173.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 9.5 t -100.79 -34.28 9.89 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 117.169 0.484 . . . . 1.63 110.701 -177.452 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 532' ' ' CYS . . . . . 0.821 ' SG ' ' HD2' ' A' ' 528' ' ' PRO . 58.3 m -80.85 142.53 33.56 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.706 -0.479 . . . . 1.73 109.706 176.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 62.0 p -105.87 159.02 16.35 Favored 'General case' 0 N--CA 1.442 -0.834 0 C-N-CA 120.346 -0.542 . . . . 1.27 109.614 176.015 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 534' ' ' GLU . . . . . 0.459 ' HG2' ' CD1' ' A' ' 552' ' ' LEU . 24.5 mt-10 -55.55 -38.13 68.88 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 109.127 -0.694 . . . . 1.32 109.127 175.643 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -61.48 -43.83 98.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.614 -1.175 . . . . 2.62 111.358 -177.305 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 536' ' ' ASP . . . . . 0.594 ' O ' ' HG ' ' A' ' 540' ' ' LEU . 25.8 m-20 -62.13 -47.45 84.49 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 121.033 0.445 . . . . 0.52 110.82 -178.846 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 537' ' ' VAL . . . . . 0.434 HG11 HD13 ' A' ' 524' ' ' ILE . 85.8 t -62.2 -43.34 97.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.63 -0.714 . . . . 1.07 110.911 -177.653 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 97.0 mt -66.84 -41.93 88.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.988 -0.551 . . . . 1.07 110.64 177.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 539' ' ' ASN . . . . . 0.62 ' O ' ' HD3' ' A' ' 543' ' ' PRO . 75.3 m-20 -64.26 -29.32 70.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.838 -0.619 . . . . 1.74 112.138 -179.097 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 540' ' ' LEU . . . . . 0.594 ' HG ' ' O ' ' A' ' 536' ' ' ASP . 30.5 mt -64.51 -38.64 91.73 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 111.997 0.369 . . . . 1.08 111.997 -177.51 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -79.4 -35.68 28.87 Favored Glycine 0 CA--C 1.518 0.246 0 C-N-CA 120.515 -0.85 . . . . 0.26 112.746 -177.261 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 542' ' ' LEU . . . . . . . . . . . . . 69.6 mt -49.02 -44.43 71.81 Favored Pre-proline 0 CA--C 1.549 0.916 0 N-CA-C 115.323 1.601 . . . . 1.11 115.323 -175.625 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 543' ' ' PRO . . . . . 0.62 ' HD3' ' O ' ' A' ' 539' ' ' ASN . 70.8 Cg_exo -50.22 -33.38 35.93 Favored 'Trans proline' 0 C--N 1.355 0.886 0 C-N-CA 122.088 1.859 . . . . 0.22 115.527 -172.549 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -111.02 -17.72 13.21 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 113.214 0.82 . . . . 0.42 113.214 177.556 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -131.03 -148.53 6.28 Favored Glycine 0 C--O 1.227 -0.303 0 C-N-CA 120.803 -0.713 . . . . 1.14 113.314 -179.074 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 546' ' ' LYS . . . . . 0.601 ' O ' ' HA ' ' A' ' 563' ' ' MET . 60.1 tptt -143.95 139.51 29.15 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 109.7 -0.482 . . . . 2.18 109.7 178.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 547' ' ' VAL . . . . . 0.453 ' HA ' ' O ' ' A' ' 562' ' ' GLU . 90.3 t -104.81 118.78 52.73 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.591 0 CA-C-O 121.124 0.488 . . . . 1.06 110.428 -178.812 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 548' ' ' THR . . . . . 0.442 ' HB ' ' HA ' ' A' ' 513' ' ' ALA . 31.5 p -94.0 -38.56 11.1 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 115.59 -0.732 . . . . 1.05 111.012 178.212 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -147.64 166.08 28.5 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.434 -0.803 . . . . 1.46 109.449 -175.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 3.2 p90 -149.79 148.81 29.64 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.988 -0.375 . . . . 0.99 109.988 174.354 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 551' ' ' ILE . . . . . 0.409 HD13 HD22 ' A' ' 599' ' ' LEU . 17.1 mt -137.61 123.13 25.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 121.357 0.599 . . . . 1.19 109.591 176.473 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 552' ' ' LEU . . . . . 0.459 ' CD1' ' HG2' ' A' ' 534' ' ' GLU . 84.0 mt -105.27 115.6 30.54 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.575 -0.739 . . . . 1.21 110.985 -177.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 24.4 mmt -101.82 84.33 2.53 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.644 -0.873 . . . . 1.46 108.644 173.46 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 31.1 mmtp -69.56 -29.07 66.55 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.879 -0.6 . . . . 1.98 110.913 -178.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 67.1 p -58.56 -35.8 72.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.837 -0.62 . . . . 1.26 111.183 177.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 69.4 p -101.17 5.49 42.71 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.172 0.511 . . . . 1.41 110.554 177.456 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 6.3 t30 56.93 42.64 25.99 Favored 'General case' 0 C--O 1.226 -0.164 0 CA-C-N 114.996 -1.002 . . . . 2.35 111.002 179.284 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -140.22 155.36 46.93 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.842 0.353 . . . . 2.3 110.581 -175.407 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -129.93 143.84 51.01 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.778 0.323 . . . . 1.06 111.086 -177.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 560' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -122.91 137.13 55.03 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.759 -0.655 . . . . 0.45 109.91 178.119 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 15.4 tp -127.04 133.51 50.49 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.18 -0.464 . . . . 1.06 109.928 -175.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 562' ' ' GLU . . . . . 0.508 ' CG ' ' HA2' ' A' ' 517' ' ' GLY . 28.1 tt0 -100.97 139.1 37.13 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-O 120.733 0.302 . . . . 1.85 110.6 -177.499 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 563' ' ' MET . . . . . 0.658 ' HE3' ' SD ' ' A' ' 572' ' ' MET . 0.7 OUTLIER -110.96 155.16 23.09 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.07 -0.514 . . . . 1.16 111.31 -179.171 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -66.32 -45.87 78.84 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.002 -0.545 . . . . 1.13 111.455 -177.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -133.53 155.92 48.73 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.793 -0.64 . . . . 1.44 109.612 -178.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 566' ' ' THR . . . . . 0.494 ' HB ' ' O ' ' A' ' 518' ' ' ALA . 9.4 t -56.43 -35.06 67.41 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.765 0.317 . . . . 1.18 110.444 179.348 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -61.89 -33.97 75.19 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-N 115.979 -0.555 . . . . 1.91 111.064 177.519 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 568' ' ' ALA . . . . . 0.416 ' HB3' ' H ' ' A' ' 546' ' ' LYS . . . -67.67 -46.57 71.96 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.105 0.478 . . . . 1.07 110.101 -179.648 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . 0.436 ' HA ' ' HG2' ' A' ' 563' ' ' MET . . . -69.42 -46.98 65.52 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.481 -0.781 . . . . 1.06 111.949 -178.183 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 570' ' ' GLN . . . . . 0.421 HE21 ' HB3' ' A' ' 570' ' ' GLN . 1.5 pt20 -69.34 -42.22 75.59 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.614 -0.266 . . . . 1.35 111.207 -175.324 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -62.51 -45.08 94.64 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 120.709 0.29 . . . . 1.09 111.162 -177.399 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 572' ' ' MET . . . . . 0.658 ' SD ' ' HE3' ' A' ' 563' ' ' MET . 19.7 ptp -66.46 -45.45 79.69 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 116.153 -0.476 . . . . 1.11 110.255 -178.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 573' ' ' VAL . . . . . 0.477 ' N ' ' HG3' ' A' ' 572' ' ' MET . 70.8 t -67.3 -36.73 77.47 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.471 0 CA-C-N 116.271 -0.422 . . . . 1.05 111.744 -176.128 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 25.8 mm-40 -58.59 -37.54 76.03 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.563 -0.532 . . . . 2.38 109.563 176.566 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 73.2 t80 -69.41 -49.92 50.67 Favored 'General case' 0 C--O 1.217 -0.611 0 CA-C-N 115.784 -0.643 . . . . 0.99 110.928 172.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 576' ' ' TYR . . . . . 0.509 ' CE1' ' HB2' ' A' ' 572' ' ' MET . 21.2 m-85 -72.89 -23.96 60.78 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 113.039 0.755 . . . . 0.38 113.039 -171.611 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -69.24 -30.45 68.59 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.307 -0.557 . . . . 1.86 110.51 174.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 39.7 mm-40 -97.39 -39.34 9.24 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.102 -0.499 . . . . 2.07 111.162 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -129.26 78.94 75.13 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 115.834 -0.621 . . . . 2.57 109.539 178.433 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -69.54 159.59 52.99 Favored 'Trans proline' 0 CA--C 1.533 0.431 0 C-N-CA 123.716 2.944 . . . . 0.21 113.733 -173.364 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -92.33 153.97 18.87 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 115.543 -0.753 . . . . 1.02 110.906 -174.127 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 582' ' ' ILE . . . . . 0.447 HG12 ' HG2' ' A' ' 587' ' ' LYS . 75.6 mt -112.84 129.06 69.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 113.277 0.843 . . . . 1.16 113.277 -169.113 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 583' ' ' ILE . . . . . 0.404 HD13 HD13 ' A' ' 588' ' ' LEU . 18.2 mt -124.19 127.47 73.36 Favored 'Isoleucine or valine' 0 C--O 1.234 0.282 0 CA-C-N 115.298 -0.865 . . . . 1.42 109.418 167.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 59.71 33.77 21.93 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 122.873 0.469 . . . . 1.7 111.787 -179.567 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 82.21 -4.12 78.05 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.782 -0.723 . . . . 0.69 113.541 176.427 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -107.15 138.2 43.77 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 117.162 0.481 . . . . 1.93 110.328 179.785 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 587' ' ' LYS . . . . . 0.447 ' HG2' HG12 ' A' ' 582' ' ' ILE . 28.8 mtpp -82.97 117.23 22.65 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.954 -0.566 . . . . 2.64 110.317 -178.81 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 588' ' ' LEU . . . . . 0.41 HD12 ' CD1' ' A' ' 540' ' ' LEU . 38.2 mt -85.68 136.28 33.42 Favored 'General case' 0 CA--C 1.509 -0.633 0 CA-C-N 115.583 -0.735 . . . . 1.09 109.698 178.75 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 50.5 tp -83.26 109.76 17.51 Favored 'General case' 0 C--N 1.313 -0.98 0 C-N-CA 120.002 -0.679 . . . . 1.1 109.183 173.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 590' ' ' ILE . . . . . 0.451 ' HB ' ' CB ' ' A' ' 576' ' ' TYR . 44.1 mt -97.26 114.98 35.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 N-CA-C 107.463 -1.31 . . . . 1.04 107.463 176.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 591' ' ' ARG . . . . . 0.451 ' HA ' ' CG1' ' A' ' 573' ' ' VAL . 13.5 ptm180 -143.28 156.77 44.8 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.274 0.559 . . . . 3.66 112.469 -170.234 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 592' ' ' MET . . . . . 0.47 ' HG2' HG12 ' A' ' 573' ' ' VAL . 0.6 OUTLIER -64.03 125.02 23.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.067 -0.97 . . . . 1.06 109.997 -178.004 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 593' ' ' SER . . . . . 0.454 ' HB3' ' O ' ' A' ' 521' ' ' VAL . 29.9 t -89.57 135.84 33.37 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.874 0.369 . . . . 1.57 110.188 177.585 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 16.7 p -97.43 -4.05 38.96 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.381 0.61 . . . . 2.17 110.182 175.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -84.35 -25.25 29.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.37 -0.832 . . . . 3.39 111.376 -176.288 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 47.4 m-85 -131.3 132.88 44.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.041 0.448 . . . . 1.27 111.295 177.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 28.6 ttpp -92.03 -29.17 16.73 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.563 -0.744 . . . . 3.84 109.711 172.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -157.71 145.53 18.72 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 114.975 -1.011 . . . . 2.02 109.396 -178.441 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 599' ' ' LEU . . . . . 0.409 HD22 HD13 ' A' ' 551' ' ' ILE . 77.2 mt -92.92 108.39 19.96 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.497 0.665 . . . . 1.09 111.0 -179.615 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 30.1 mm-40 -92.31 92.96 8.39 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.694 -0.684 . . . . 3.46 109.847 178.037 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 75.8 mt -55.02 130.13 40.54 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.42 -0.809 . . . . 1.47 110.581 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -77.6 71.24 4.07 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.603 0.716 . . . . 5.81 110.262 -177.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -110.69 143.93 29.22 Favored Pre-proline 0 C--N 1.32 -0.697 0 CA-C-N 115.197 -0.911 . . . . 6.08 109.542 -178.524 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 604' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -72.24 -12.22 27.51 Favored 'Trans proline' 0 C--O 1.233 0.248 0 C-N-CA 122.41 2.073 . . . . 6.24 111.279 175.102 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 605' ' ' GLY . . . . . . . . . . . . . . . -161.53 148.64 16.51 Favored Glycine 0 N--CA 1.444 -0.805 0 N-CA-C 110.654 -0.978 . . . . 6.9 110.654 176.183 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 44.8 mmtm -102.47 -62.71 1.23 Allowed 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 117.026 0.413 . . . . 9.18 110.716 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -161.44 159.95 28.73 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.736 -0.468 . . . . 9.69 109.736 -177.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 40.8 t -49.04 -65.8 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 O-C-N 123.552 0.533 . . . . 9.96 111.754 -176.11 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -102.8 42.47 1.15 Allowed 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.891 -0.411 . . . . 9.72 109.891 178.224 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . 62.47 180.0 0.14 Allowed 'General case' 0 CA--C 1.527 0.068 0 CA-C-N 115.395 -0.82 . . . . 9.52 110.761 -176.064 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 60.0 mt -103.27 75.44 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 N-CA-C 109.094 -0.706 . . . . 8.52 109.094 179.053 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 612' ' ' ILE . . . . . . . . . . . . . 73.6 mt -119.43 96.28 4.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.415 -0.812 . . . . 9.1 110.372 -176.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 26.1 mm-40 -66.2 -59.26 3.91 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.323 -0.853 . . . . 10.72 109.947 177.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -140.18 -108.1 0.16 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.67 -0.695 . . . . 10.41 109.657 177.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 615' ' ' ILE . . . . . . . . . . . . . 2.5 pp -111.33 1.2 9.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.583 0.706 . . . . 8.92 109.652 172.309 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 20.6 m170 -83.8 58.74 4.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.341 -0.845 . . . . 7.47 109.94 178.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 617' ' ' SER . . . . . 0.633 ' HA ' ' O ' ' A' ' 514' ' ' GLN . 18.4 t -163.09 158.78 22.39 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.307 -0.406 . . . . 6.99 110.187 -177.151 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 618' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -106.83 165.63 11.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.242 -0.436 . . . . 9.92 109.966 177.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 51.4 mtt180 56.56 55.45 6.44 Favored 'General case' 0 C--O 1.235 0.325 0 O-C-N 123.527 0.517 . . . . 13.6 110.901 -178.675 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 620' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -75.59 108.78 8.65 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.81 -0.632 . . . . 11.34 110.94 -178.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 29.0 mtp180 . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.007 -0.996 . . . . 11.92 111.19 177.093 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.646 0 N-CA-C 111.937 -0.465 . . . . 7.0 111.937 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . 69.77 5.87 5.44 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 123.285 0.634 . . . . 5.89 111.511 179.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 512' ' ' MET . . . . . 0.401 ' HA ' ' NH2' ' A' ' 515' ' ' ARG . 24.8 mmt -92.34 -45.18 8.32 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.258 0.551 . . . . 6.52 109.625 178.55 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 513' ' ' ALA . . . . . 0.412 ' C ' ' H ' ' A' ' 515' ' ' ARG . . . -95.75 162.26 13.68 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.687 -0.688 . . . . 2.69 109.205 173.388 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 514' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 70.4 -45.55 0.6 Allowed 'General case' 0 N--CA 1.466 0.374 0 O-C-N 123.858 0.724 . . . . 5.85 110.686 -173.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 515' ' ' ARG . . . . . 0.412 ' H ' ' C ' ' A' ' 513' ' ' ALA . 1.5 mmp_? 71.99 -60.13 0.53 Allowed 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 124.028 0.931 . . . . 7.19 111.348 175.512 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 516' ' ' LYS . . . . . 0.436 ' C ' ' H ' ' A' ' 518' ' ' ALA . 28.1 mmtp -84.86 165.02 18.06 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.589 -0.523 . . . . 5.61 109.589 173.695 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -78.12 35.05 1.71 Allowed Glycine 0 N--CA 1.453 -0.183 0 C-N-CA 121.102 -0.57 . . . . 3.59 112.359 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 518' ' ' ALA . . . . . 0.436 ' H ' ' C ' ' A' ' 516' ' ' LYS . . . -143.08 -82.43 0.18 Allowed 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.712 -0.477 . . . . 2.73 109.712 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 74.54 135.08 0.36 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 121.038 -0.601 . . . . 2.08 112.475 179.36 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 47.0 mtt180 -139.12 153.29 47.97 Favored 'General case' 0 C--N 1.322 -0.587 0 O-C-N 122.691 -0.299 . . . . 3.0 110.551 178.155 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 95.0 t -110.03 134.02 53.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.883 -0.599 . . . . 1.08 110.541 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 522' ' ' VAL . . . . . . . . . . . . . 48.0 t -107.84 133.92 51.22 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.941 0 CA-C-N 115.638 -0.71 . . . . 1.07 109.272 176.388 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 523' ' ' HIS . . . . . 0.562 ' HB3' ' OG ' ' A' ' 593' ' ' SER . 8.2 p-80 -111.91 140.29 46.69 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.281 0.562 . . . . 2.21 110.481 -178.508 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 524' ' ' ILE . . . . . . . . . . . . . 76.7 mt -113.32 130.46 67.24 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.86 0 CA-C-N 115.193 -0.912 . . . . 1.06 110.365 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 22.0 p -120.27 175.31 6.01 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.959 -0.564 . . . . 2.22 110.274 -179.005 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 18.6 m120 67.11 29.78 7.69 Favored 'General case' 0 N--CA 1.467 0.385 0 O-C-N 123.533 0.52 . . . . 1.74 110.755 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 78.5 mt -80.73 122.08 81.8 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 115.785 -0.643 . . . . 1.09 110.799 -176.267 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 528' ' ' PRO . . . . . 0.481 ' HD2' ' SG ' ' A' ' 532' ' ' CYS . 39.9 Cg_endo -68.26 130.21 20.82 Favored 'Trans proline' 0 N--CA 1.459 -0.528 0 C-N-CA 121.821 1.68 . . . . 0.88 111.421 177.788 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -68.45 125.41 26.39 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.654 -0.703 . . . . 2.98 110.88 -177.524 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 82.28 -15.89 26.25 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.98 -0.628 . . . . 0.97 113.659 176.378 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 46.6 t -89.93 -36.7 14.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 117.41 0.605 . . . . 1.63 110.938 -177.662 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 532' ' ' CYS . . . . . 0.481 ' SG ' ' HD2' ' A' ' 528' ' ' PRO . 74.6 m -87.01 138.95 31.06 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.633 -0.258 . . . . 1.73 110.733 176.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 81.5 p -105.68 169.82 8.25 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.44 -0.578 . . . . 1.27 109.44 174.093 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 534' ' ' GLU . . . . . 0.521 ' HG3' ' CD1' ' A' ' 552' ' ' LEU . 1.6 mp0 -57.0 -44.34 82.68 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.04 0.447 . . . . 1.32 110.342 -179.748 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -61.86 -41.88 98.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.652 -0.704 . . . . 2.62 111.698 -176.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 536' ' ' ASP . . . . . 0.461 ' O ' ' HG ' ' A' ' 540' ' ' LEU . 60.6 m-20 -58.9 -47.53 84.65 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 120.961 0.41 . . . . 0.52 110.655 -176.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 48.4 t -63.35 -45.69 97.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.457 -0.792 . . . . 1.07 110.532 -177.356 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 92.6 mt -62.93 -40.42 88.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.777 -0.647 . . . . 1.07 111.005 178.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 539' ' ' ASN . . . . . 0.615 ' O ' ' HD3' ' A' ' 543' ' ' PRO . 0.9 OUTLIER -69.27 -28.75 66.57 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.906 -0.588 . . . . 1.74 112.104 -176.846 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 540' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' A' ' 536' ' ' ASP . 24.2 mt -64.11 -33.07 74.94 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.678 0.622 . . . . 1.08 112.678 -176.414 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -78.27 -32.1 44.49 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 119.906 -1.14 . . . . 0.26 111.953 179.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 542' ' ' LEU . . . . . 0.442 HD12 ' HA ' ' A' ' 539' ' ' ASN . 96.1 mt -53.82 -39.42 73.1 Favored Pre-proline 0 CA--C 1.549 0.922 0 N-CA-C 115.406 1.632 . . . . 1.11 115.406 -173.344 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 543' ' ' PRO . . . . . 0.615 ' HD3' ' O ' ' A' ' 539' ' ' ASN . 79.7 Cg_exo -53.39 -34.24 70.19 Favored 'Trans proline' 0 C--N 1.355 0.916 0 CA-C-N 121.258 1.485 . . . . 0.22 115.05 -174.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 544' ' ' PHE . . . . . 0.482 ' HB2' ' CB ' ' A' ' 572' ' ' MET . 90.6 m-85 -111.26 -18.47 12.94 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 113.094 0.775 . . . . 0.42 113.094 177.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 545' ' ' GLY . . . . . 0.489 ' CA ' ' HB2' ' A' ' 568' ' ' ALA . . . -131.61 -159.6 9.51 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.718 -0.753 . . . . 1.14 113.38 -179.434 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 546' ' ' LYS . . . . . 0.615 ' O ' ' HA ' ' A' ' 563' ' ' MET . 55.8 tttp -136.44 137.84 40.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 122.595 -0.356 . . . . 2.18 110.391 175.234 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 547' ' ' VAL . . . . . 0.497 ' HA ' ' O ' ' A' ' 562' ' ' GLU . 94.0 t -95.67 133.4 36.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 123.509 0.505 . . . . 1.06 111.049 -178.131 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 36.4 p -107.86 -38.14 5.91 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.759 -0.655 . . . . 1.05 111.288 175.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 43.9 m-20 -148.71 165.78 30.35 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.898 -0.592 . . . . 1.46 110.095 -176.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 550' ' ' TYR . . . . . 0.561 ' O ' HD11 ' A' ' 601' ' ' LEU . 7.8 p90 -147.82 148.59 31.06 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.055 0.455 . . . . 0.99 111.05 177.026 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 25.8 mt -133.14 121.48 43.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 108.59 -0.893 . . . . 1.19 108.59 171.453 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 552' ' ' LEU . . . . . 0.521 ' CD1' ' HG3' ' A' ' 534' ' ' GLU . 77.3 mt -112.1 115.55 29.06 Favored 'General case' 0 C--N 1.312 -1.026 0 CA-C-N 116.02 -0.537 . . . . 1.21 111.585 -175.853 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 66.7 mtt -108.36 84.66 1.98 Allowed 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.094 -0.706 . . . . 1.46 109.094 173.628 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 27.8 mmtp -68.26 -35.54 78.05 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.311 -0.859 . . . . 1.98 110.634 -175.588 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 65.1 p -68.5 -23.07 64.51 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.595 -0.73 . . . . 1.26 112.123 -177.457 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 76.6 p -107.09 10.28 30.23 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.946 -0.302 . . . . 1.41 111.342 179.201 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 57.17 44.06 22.92 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 115.633 -0.712 . . . . 2.35 110.872 178.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -140.97 148.7 40.76 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.083 0.468 . . . . 2.3 110.831 -178.366 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 559' ' ' ALA . . . . . 0.479 ' O ' ' HA ' ' A' ' 523' ' ' HIS . . . -134.92 143.37 46.88 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 116.01 -0.541 . . . . 1.06 110.021 177.346 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 560' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -125.95 127.02 45.3 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.834 -0.432 . . . . 0.45 109.834 178.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 561' ' ' LEU . . . . . 0.412 HD23 ' HE3' ' A' ' 563' ' ' MET . 14.5 tp -126.72 129.95 49.4 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.026 -0.534 . . . . 1.06 109.782 -175.319 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 562' ' ' GLU . . . . . 0.497 ' O ' ' HA ' ' A' ' 547' ' ' VAL . 40.8 tt0 -99.21 137.97 36.97 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-O 120.647 0.261 . . . . 1.85 110.481 -174.517 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 563' ' ' MET . . . . . 0.721 ' HE1' ' SD ' ' A' ' 572' ' ' MET . 20.3 mmt -113.61 136.37 52.9 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.011 -0.54 . . . . 1.16 111.624 -175.194 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -65.05 -21.2 66.79 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-N 114.956 -1.02 . . . . 1.13 112.183 -176.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -130.78 139.89 50.26 Favored 'General case' 0 C--N 1.315 -0.933 0 N-CA-C 109.229 -0.656 . . . . 1.44 109.229 -177.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 15.0 t -66.85 -29.39 69.29 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.523 -0.547 . . . . 1.18 109.523 176.132 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -66.21 -40.5 90.4 Favored 'General case' 0 CA--C 1.511 -0.521 0 CA-C-N 115.837 -0.62 . . . . 1.91 110.019 173.052 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 568' ' ' ALA . . . . . 0.489 ' HB2' ' CA ' ' A' ' 545' ' ' GLY . . . -61.33 -46.33 90.71 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.407 -0.815 . . . . 1.07 110.687 -177.249 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . 0.423 ' O ' HG22 ' A' ' 573' ' ' VAL . . . -67.92 -47.7 68.01 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.192 -0.458 . . . . 1.06 111.693 -177.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 570' ' ' GLN . . . . . 0.579 ' O ' ' HG2' ' A' ' 574' ' ' GLN . 47.7 mt-30 -68.73 -45.79 70.59 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.564 -0.289 . . . . 1.35 111.334 -176.762 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -63.9 -45.37 89.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.511 -0.313 . . . . 1.09 111.625 -175.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 572' ' ' MET . . . . . 0.721 ' SD ' ' HE1' ' A' ' 563' ' ' MET . 18.6 ptp -62.2 -43.76 98.1 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.053 0.454 . . . . 1.11 110.076 -178.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 573' ' ' VAL . . . . . 0.468 HG12 ' HG2' ' A' ' 592' ' ' MET . 93.8 t -66.91 -35.96 76.01 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.752 0 CA-C-N 115.753 -0.658 . . . . 1.05 111.261 -178.116 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 574' ' ' GLN . . . . . 0.579 ' HG2' ' O ' ' A' ' 570' ' ' GLN . 29.1 mm-40 -58.63 -37.43 75.89 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.504 -0.554 . . . . 2.38 109.504 177.187 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 83.3 t80 -68.91 -49.6 56.74 Favored 'General case' 0 C--O 1.218 -0.563 0 CA-C-N 115.788 -0.642 . . . . 0.99 110.944 172.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 576' ' ' TYR . . . . . 0.468 ' CB ' ' HB ' ' A' ' 590' ' ' ILE . 25.4 m-85 -74.0 -17.02 61.04 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 112.894 0.702 . . . . 0.38 112.894 -172.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 17.7 mm-40 -73.96 -29.84 62.21 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-O 120.976 0.417 . . . . 1.86 110.231 173.121 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -98.25 -40.34 8.4 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.092 -0.503 . . . . 2.07 111.541 179.632 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -130.44 81.06 69.06 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-N 115.707 -0.679 . . . . 2.57 109.534 176.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_exo -67.74 159.9 50.66 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 123.515 2.81 . . . . 0.21 111.926 -175.497 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -91.71 135.93 33.52 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.927 0.394 . . . . 1.02 110.692 -172.421 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 45.3 mt -106.69 129.95 59.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-N 115.995 -0.548 . . . . 1.16 111.148 -173.33 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 583' ' ' ILE . . . . . . . . . . . . . 47.7 mt -121.81 117.95 54.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.353 -0.385 . . . . 1.42 110.367 176.026 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 52.85 44.73 29.96 Favored 'General case' 0 N--CA 1.464 0.262 0 O-C-N 123.703 0.627 . . . . 1.7 111.416 176.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 85.88 -4.11 86.28 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.98 -0.629 . . . . 0.69 113.386 176.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 60.2 mm-40 -101.94 126.58 48.89 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 117.19 0.495 . . . . 1.93 110.763 -179.245 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -84.48 107.14 16.57 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.772 -0.455 . . . . 2.64 109.772 178.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 588' ' ' LEU . . . . . 0.435 HD11 ' CD1' ' A' ' 540' ' ' LEU . 42.2 mt -89.17 123.22 33.22 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.178 -0.465 . . . . 1.09 110.297 -179.507 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 36.2 tp -83.03 109.2 16.9 Favored 'General case' 0 N--CA 1.437 -1.08 0 N-CA-C 108.47 -0.937 . . . . 1.1 108.47 174.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 590' ' ' ILE . . . . . 0.468 ' HB ' ' CB ' ' A' ' 576' ' ' TYR . 35.2 mt -95.94 115.24 34.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 N-CA-C 107.834 -1.173 . . . . 1.04 107.834 178.755 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 591' ' ' ARG . . . . . 0.46 ' HA ' ' CG1' ' A' ' 573' ' ' VAL . 13.5 ptm180 -142.35 158.78 43.34 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 113.055 0.761 . . . . 3.66 113.055 -169.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 592' ' ' MET . . . . . 0.468 ' HG2' HG12 ' A' ' 573' ' ' VAL . 0.1 OUTLIER -64.12 134.33 54.69 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.006 -0.997 . . . . 1.06 111.395 -174.89 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 593' ' ' SER . . . . . 0.562 ' OG ' ' HB3' ' A' ' 523' ' ' HIS . 19.3 m -88.78 127.1 35.6 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.624 0.25 . . . . 1.57 111.407 176.161 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 9.3 t -95.14 -23.34 17.34 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.244 -0.65 . . . . 2.17 109.244 171.663 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 39.6 mmt180 -71.4 -32.53 68.53 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.462 -0.79 . . . . 3.39 111.127 -178.257 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -124.78 130.95 53.39 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 110.25 -0.278 . . . . 1.27 110.25 179.002 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 44.0 mmtm -93.49 -35.52 12.91 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.303 0.573 . . . . 3.84 109.689 172.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -147.04 148.93 32.16 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.236 -0.893 . . . . 2.02 109.922 178.701 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 599' ' ' LEU . . . . . . . . . . . . . 80.1 mt -95.18 103.56 15.42 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.702 -0.481 . . . . 1.09 109.702 175.456 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -83.39 76.68 9.9 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-O 121.137 0.494 . . . . 3.46 110.885 -175.53 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 601' ' ' LEU . . . . . 0.561 HD11 ' O ' ' A' ' 550' ' ' TYR . 72.2 mt -88.44 152.02 22.17 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.903 -0.59 . . . . 1.47 110.233 177.143 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.87 29.94 0.88 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.279 0.561 . . . . 5.81 110.867 178.066 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 29.9 mtpp -98.4 114.17 64.95 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 115.717 -0.674 . . . . 6.08 109.843 178.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 604' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -82.38 167.99 15.06 Favored 'Trans proline' 0 N--CA 1.459 -0.521 0 C-N-CA 122.703 2.269 . . . . 6.24 112.601 -178.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 605' ' ' GLY . . . . . . . . . . . . . . . -107.2 88.65 0.55 Allowed Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.841 -0.695 . . . . 6.9 111.659 178.355 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -115.1 -51.97 2.7 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.093 0.473 . . . . 9.18 110.438 -178.548 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -97.98 128.25 44.43 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.776 -0.647 . . . . 9.69 110.419 -178.256 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 59.9 t 73.8 -55.16 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 C-N-CA 123.454 0.701 . . . . 9.96 111.411 178.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -56.2 103.21 0.1 Allowed 'General case' 0 N--CA 1.452 -0.359 0 O-C-N 123.495 0.497 . . . . 9.72 110.498 179.21 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -59.62 117.71 5.25 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.202 -0.908 . . . . 9.52 111.346 -177.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 67.4 mt -69.06 96.19 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.596 -0.729 . . . . 8.52 110.29 175.028 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 612' ' ' ILE . . . . . . . . . . . . . 68.9 mt -114.49 101.12 11.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.117 -0.492 . . . . 9.1 110.319 179.45 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -117.43 28.12 8.66 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.222 0.534 . . . . 10.72 110.486 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -166.7 114.83 0.86 Allowed 'General case' 0 N--CA 1.445 -0.717 0 N-CA-C 108.36 -0.978 . . . . 10.41 108.36 -178.275 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 615' ' ' ILE . . . . . . . . . . . . . 25.3 mt 62.54 83.29 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 CA-C-N 114.624 -1.171 . . . . 8.92 109.73 -174.212 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 12.1 m170 -81.1 16.18 1.62 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.764 -0.653 . . . . 7.47 111.429 -172.161 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 8.4 t -112.9 13.64 19.63 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.245 0.545 . . . . 6.99 109.691 176.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 618' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -78.89 159.9 27.54 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.751 -0.659 . . . . 9.92 110.489 177.148 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 75.1 mtt180 -71.55 129.1 37.9 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.02 -0.536 . . . . 13.6 109.575 177.515 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 620' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -67.64 112.36 4.72 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.476 0.655 . . . . 11.34 110.604 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 71.4 mtm180 . . . . . 0 C--O 1.248 0.977 0 CA-C-O 118.596 -0.716 . . . . 11.92 109.857 -179.76 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.802 0 N-CA-C 111.334 -0.706 . . . . 7.0 111.334 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . -161.25 165.76 28.76 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 110.186 -0.301 . . . . 5.89 110.186 -177.478 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 53.5 ttp -71.49 -9.47 58.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.271 0.558 . . . . 6.52 110.163 179.176 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -71.87 94.9 1.47 Allowed 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 115.646 -0.706 . . . . 2.69 110.327 175.093 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 514' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -72.8 -8.57 56.11 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.188 -0.46 . . . . 5.85 110.576 177.178 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 7.3 mtp180 71.76 -38.09 0.41 Allowed 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 123.584 0.754 . . . . 7.19 111.652 177.087 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 53.4 mtpt -69.36 68.09 0.21 Allowed 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.35 -0.611 . . . . 5.61 109.35 167.63 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 517' ' ' GLY . . . . . 0.461 ' C ' ' H ' ' A' ' 519' ' ' GLY . . . -74.48 56.9 2.48 Favored Glycine 0 N--CA 1.445 -0.713 0 C-N-CA 121.207 -0.52 . . . . 3.59 111.965 -178.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 518' ' ' ALA . . . . . 0.472 ' HA ' ' N ' ' A' ' 566' ' ' THR . . . 68.82 -13.83 0.31 Allowed 'General case' 0 C--O 1.234 0.254 0 C-N-CA 123.559 0.743 . . . . 2.73 112.302 177.396 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 519' ' ' GLY . . . . . 0.461 ' H ' ' C ' ' A' ' 517' ' ' GLY . . . 75.41 7.61 82.86 Favored Glycine 0 N--CA 1.437 -1.236 0 N-CA-C 109.264 -1.535 . . . . 2.08 109.264 -169.088 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -151.83 138.32 18.62 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 114.582 -0.809 . . . . 3.0 109.53 -178.502 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 71.6 t -106.81 138.58 31.86 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.056 0 N-CA-C 108.44 -0.948 . . . . 1.08 108.44 173.474 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 522' ' ' VAL . . . . . . . . . . . . . 68.0 t -98.73 127.36 51.39 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.024 0 N-CA-C 109.865 -0.42 . . . . 1.07 109.865 -176.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 523' ' ' HIS . . . . . 0.45 ' HA ' ' O ' ' A' ' 559' ' ' ALA . 2.5 p-80 -106.37 138.29 42.82 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.23 0.538 . . . . 2.21 110.375 -179.701 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 524' ' ' ILE . . . . . 0.408 HD11 HG13 ' A' ' 537' ' ' VAL . 79.3 mt -112.1 137.7 43.82 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-N 115.351 -0.84 . . . . 1.06 110.056 -179.6 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 63.5 m -124.46 172.03 9.49 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.875 -0.602 . . . . 2.22 110.872 -174.361 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 63.9 37.7 9.37 Favored 'General case' 0 N--CA 1.467 0.38 0 O-C-N 123.72 0.637 . . . . 1.74 110.753 179.083 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 80.4 mt -90.14 122.27 67.79 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 115.962 -0.563 . . . . 1.09 110.751 -177.223 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 528' ' ' PRO . . . . . 0.484 ' HD2' ' SG ' ' A' ' 532' ' ' CYS . 32.8 Cg_endo -68.45 129.18 18.52 Favored 'Trans proline' 0 C--O 1.237 0.469 0 C-N-CA 121.622 1.548 . . . . 0.88 111.793 174.293 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -68.7 126.65 30.4 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.681 -0.69 . . . . 2.98 110.43 178.045 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 88.54 -17.79 46.71 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.709 -0.758 . . . . 0.97 113.526 174.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 7.6 t -99.03 -37.44 9.36 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 117.454 0.627 . . . . 1.63 110.888 -177.309 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 532' ' ' CYS . . . . . 0.484 ' SG ' ' HD2' ' A' ' 528' ' ' PRO . 76.5 m -87.9 135.58 33.34 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 110.093 -0.336 . . . . 1.73 110.093 173.71 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 69.3 p -105.83 170.42 7.91 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.889 -0.325 . . . . 1.27 110.133 178.557 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -52.64 -44.21 65.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.316 0.579 . . . . 1.32 109.73 175.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -59.8 -43.49 94.42 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 114.965 -1.016 . . . . 2.62 112.065 -175.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 536' ' ' ASP . . . . . 0.7 ' O ' ' HG ' ' A' ' 540' ' ' LEU . 27.8 m-20 -62.27 -46.54 88.32 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 120.68 -0.408 . . . . 0.52 110.45 -177.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 537' ' ' VAL . . . . . 0.408 HG13 HD11 ' A' ' 524' ' ' ILE . 52.3 t -61.64 -45.61 98.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.764 -0.653 . . . . 1.07 110.285 -177.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 95.8 mt -67.07 -41.39 87.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.77 -0.65 . . . . 1.07 111.02 178.572 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 539' ' ' ASN . . . . . 0.603 ' O ' ' HD3' ' A' ' 543' ' ' PRO . 85.9 m-20 -63.94 -28.35 69.77 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-N 116.197 -0.456 . . . . 1.74 111.816 -178.527 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 540' ' ' LEU . . . . . 0.7 ' HG ' ' O ' ' A' ' 536' ' ' ASP . 51.7 mt -68.26 -36.95 80.23 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.132 0.419 . . . . 1.08 112.132 -177.472 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -75.46 -38.64 37.73 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.144 -1.027 . . . . 0.26 112.323 -179.052 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 542' ' ' LEU . . . . . . . . . . . . . 98.0 mt -49.69 -42.59 68.82 Favored Pre-proline 0 CA--C 1.552 1.028 0 N-CA-C 115.284 1.587 . . . . 1.11 115.284 -173.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 543' ' ' PRO . . . . . 0.603 ' HD3' ' O ' ' A' ' 539' ' ' ASN . 90.0 Cg_exo -52.4 -34.53 61.51 Favored 'Trans proline' 0 C--N 1.356 0.957 0 C-N-CA 121.892 1.728 . . . . 0.22 115.457 -173.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 544' ' ' PHE . . . . . 0.488 ' HB2' ' CB ' ' A' ' 572' ' ' MET . 82.4 m-85 -110.84 -17.63 13.29 Favored 'General case' 0 N--CA 1.466 0.351 0 O-C-N 121.569 -0.707 . . . . 0.42 112.799 177.264 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 545' ' ' GLY . . . . . 0.413 ' HA3' ' CE ' ' A' ' 572' ' ' MET . . . -131.41 -147.75 6.06 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.936 -0.649 . . . . 1.14 113.103 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 546' ' ' LYS . . . . . 0.624 ' O ' ' HA ' ' A' ' 563' ' ' MET . 59.9 tttp -148.77 143.84 26.63 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.649 -0.5 . . . . 2.18 109.649 174.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 547' ' ' VAL . . . . . 0.474 ' HA ' ' O ' ' A' ' 562' ' ' GLU . 97.0 t -100.35 130.2 49.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.039 0.447 . . . . 1.06 110.859 -177.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 26.6 p -103.36 -39.54 6.75 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.67 -0.696 . . . . 1.05 111.335 175.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 64.6 m-80 -148.96 166.23 29.24 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.896 -0.593 . . . . 1.46 109.864 -179.139 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 10.9 p90 -148.05 150.35 33.78 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.594 -0.276 . . . . 0.99 110.408 176.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 14.2 mt -134.26 123.31 43.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 N-CA-C 109.008 -0.738 . . . . 1.19 109.008 173.463 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 552' ' ' LEU . . . . . . . . . . . . . 75.3 mt -111.78 113.6 26.06 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 116.316 -0.402 . . . . 1.21 111.549 -176.399 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 55.6 mtt -107.67 85.75 2.18 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.023 -0.732 . . . . 1.46 109.023 174.547 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp -67.97 -30.34 69.6 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.704 -0.68 . . . . 1.98 111.03 -176.258 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 67.1 p -63.25 -36.04 82.33 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.054 -0.521 . . . . 1.26 111.544 -178.655 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 73.6 p -98.62 10.28 41.39 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.723 0.297 . . . . 1.41 111.363 -178.445 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 57.72 42.55 23.47 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.632 -0.713 . . . . 2.35 110.724 -179.675 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 -135.88 148.7 48.72 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.189 0.519 . . . . 2.3 111.288 -174.661 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 559' ' ' ALA . . . . . 0.45 ' O ' ' HA ' ' A' ' 523' ' ' HIS . . . -132.87 143.83 49.78 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.786 -0.643 . . . . 1.06 109.897 175.427 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 560' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 -124.74 126.48 45.74 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 109.557 -0.534 . . . . 0.45 109.557 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 561' ' ' LEU . . . . . 0.453 HD21 ' HE1' ' A' ' 563' ' ' MET . 14.4 tp -125.47 130.18 51.28 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.306 -0.406 . . . . 1.06 109.986 -176.452 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 562' ' ' GLU . . . . . 0.474 ' O ' ' HA ' ' A' ' 547' ' ' VAL . 37.6 tt0 -100.08 138.14 37.56 Favored 'General case' 0 CA--C 1.515 -0.386 0 CA-C-N 116.416 -0.357 . . . . 1.85 110.42 -176.399 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 563' ' ' MET . . . . . 0.675 ' HE2' ' SD ' ' A' ' 572' ' ' MET . 16.4 mmt -112.55 135.67 52.99 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.063 -0.517 . . . . 1.16 110.805 -175.286 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -60.81 -24.01 65.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.466 -0.788 . . . . 1.13 112.84 -173.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -137.02 147.84 46.47 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.594 -0.275 . . . . 1.44 110.399 -177.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 566' ' ' THR . . . . . 0.472 ' N ' ' HA ' ' A' ' 518' ' ' ALA . 15.2 t -58.88 -37.91 77.62 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.343 0.592 . . . . 1.18 110.316 177.542 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -67.21 -34.38 77.36 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.35 -0.841 . . . . 1.91 110.745 175.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 568' ' ' ALA . . . . . . . . . . . . . . . -61.94 -46.73 88.03 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.961 0.41 . . . . 1.07 109.952 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . 0.465 ' HA ' ' HG3' ' A' ' 563' ' ' MET . . . -68.55 -46.63 68.98 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.712 -0.677 . . . . 1.06 111.613 -179.605 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 570' ' ' GLN . . . . . 0.433 ' O ' ' HG2' ' A' ' 574' ' ' GLN . 48.3 mt-30 -68.8 -45.97 69.88 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.466 -0.334 . . . . 1.35 111.354 -175.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -62.14 -43.33 99.08 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 120.705 0.288 . . . . 1.09 111.38 -176.363 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 572' ' ' MET . . . . . 0.675 ' SD ' ' HE2' ' A' ' 563' ' ' MET . 19.0 ptp -68.25 -47.21 68.36 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.608 -0.437 . . . . 1.11 110.628 -177.571 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 573' ' ' VAL . . . . . 0.485 HG12 ' HG2' ' A' ' 592' ' ' MET . 91.2 t -67.39 -36.54 76.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.543 0 CA-C-N 116.326 -0.397 . . . . 1.05 111.773 -176.127 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 574' ' ' GLN . . . . . 0.433 ' HG2' ' O ' ' A' ' 570' ' ' GLN . 27.2 mm-40 -58.85 -37.91 77.54 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.577 -0.527 . . . . 2.38 109.577 176.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 66.6 t80 -69.54 -49.66 52.29 Favored 'General case' 0 C--O 1.219 -0.531 0 CA-C-N 115.895 -0.593 . . . . 0.99 111.01 173.073 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 576' ' ' TYR . . . . . 0.439 ' CE1' ' HB2' ' A' ' 572' ' ' MET . 22.2 m-85 -72.82 -16.47 61.61 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 112.935 0.717 . . . . 0.38 112.935 -172.422 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -79.27 -27.53 42.31 Favored 'General case' 0 C--N 1.314 -0.952 0 C-N-CA 120.284 -0.566 . . . . 1.86 110.607 173.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -96.49 -39.21 9.67 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.047 0.451 . . . . 2.07 110.855 178.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 42.5 mtpt -130.07 82.83 65.17 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 115.772 -0.649 . . . . 2.57 109.565 173.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_exo -68.04 161.75 42.94 Favored 'Trans proline' 0 C--O 1.234 0.278 0 C-N-CA 123.667 2.912 . . . . 0.21 112.224 -176.491 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -90.49 141.34 28.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.002 0.43 . . . . 1.02 110.254 -173.175 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 582' ' ' ILE . . . . . 0.444 HG12 ' HG2' ' A' ' 587' ' ' LYS . 44.6 mt -115.29 123.56 70.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.878 -0.601 . . . . 1.16 111.742 -169.099 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 583' ' ' ILE . . . . . 0.406 HD11 HD21 ' A' ' 540' ' ' LEU . 3.3 mp -121.06 124.25 71.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.946 -0.57 . . . . 1.42 109.982 174.48 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 11.8 m120 60.19 33.9 21.07 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 121.126 0.488 . . . . 1.7 110.861 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 76.86 7.23 86.24 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.779 -0.724 . . . . 0.69 112.141 -179.152 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 586' ' ' GLU . . . . . 0.403 ' O ' ' HA ' ' A' ' 582' ' ' ILE . 45.2 mt-10 -103.24 126.52 50.45 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.776 0.322 . . . . 1.93 110.315 179.749 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 587' ' ' LYS . . . . . 0.444 ' HG2' HG12 ' A' ' 582' ' ' ILE . 98.3 mttt -82.8 115.16 21.58 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.382 -0.372 . . . . 2.64 110.315 179.272 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 588' ' ' LEU . . . . . . . . . . . . . 41.8 mt -90.13 123.01 33.61 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 109.408 -0.59 . . . . 1.09 109.408 174.31 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 45.9 tp -82.6 108.92 16.34 Favored 'General case' 0 C--N 1.311 -1.079 0 N-CA-C 108.633 -0.877 . . . . 1.1 108.633 174.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 590' ' ' ILE . . . . . . . . . . . . . 47.1 mt -94.44 115.32 32.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 N-CA-C 108.119 -1.067 . . . . 1.04 108.119 177.25 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 30.6 ptt180 -140.8 153.72 45.93 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.587 0.588 . . . . 3.66 112.587 -170.494 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 592' ' ' MET . . . . . 0.485 ' HG2' HG12 ' A' ' 573' ' ' VAL . 0.8 OUTLIER -73.16 126.84 30.97 Favored 'General case' 0 CA--C 1.528 0.13 0 CA-C-N 115.226 -0.897 . . . . 1.06 110.156 -172.522 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 6.6 t -89.34 131.56 35.36 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.783 0.325 . . . . 1.57 110.501 178.06 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 17.7 p -94.74 -10.64 30.97 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.254 0.549 . . . . 2.17 110.518 176.244 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -82.13 -19.96 38.98 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.514 -0.766 . . . . 3.39 111.689 -176.256 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -125.75 132.26 52.36 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.093 0.473 . . . . 1.27 110.985 -178.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 51.9 tptt -92.42 -39.43 11.44 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.23 -0.895 . . . . 3.84 110.281 178.089 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -156.76 145.27 19.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.232 -0.894 . . . . 2.02 110.162 -175.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 599' ' ' LEU . . . . . 0.443 HD13 ' HB2' ' A' ' 562' ' ' GLU . 96.7 mt -93.2 105.89 17.92 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.118 0.485 . . . . 1.09 110.499 176.638 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -101.91 85.74 2.76 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.976 -0.556 . . . . 3.46 110.678 -179.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 76.2 mt -65.23 147.02 54.19 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.542 -0.754 . . . . 1.47 110.042 177.139 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -77.68 75.89 4.22 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.391 0.615 . . . . 5.81 110.081 178.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 3.9 mmtp -101.05 118.8 59.64 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 115.132 -0.94 . . . . 6.08 109.998 -179.115 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 604' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.86 -39.15 85.5 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 123.487 2.791 . . . . 6.24 113.266 -178.59 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 605' ' ' GLY . . . . . . . . . . . . . . . 156.24 137.89 2.43 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.281 -0.961 . . . . 6.9 112.914 178.402 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -134.89 143.07 46.76 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.729 0.3 . . . . 9.18 110.337 178.614 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -122.41 -31.67 3.75 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.282 -0.417 . . . . 9.69 110.734 177.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 48.5 t 57.29 -94.2 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 CA-C-N 115.231 -0.895 . . . . 9.96 112.279 176.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -131.04 -55.14 1.05 Allowed 'General case' 0 N--CA 1.45 -0.426 0 CA-C-O 120.597 0.237 . . . . 9.72 111.573 -174.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -130.28 126.27 36.83 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.802 0.334 . . . . 9.52 110.617 -177.312 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 46.5 mm -77.85 70.2 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 121.638 0.733 . . . . 8.52 110.045 -178.289 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 612' ' ' ILE . . . . . . . . . . . . . 57.1 mt -110.23 97.43 5.72 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.631 0 CA-C-N 115.431 -0.804 . . . . 9.1 109.478 177.638 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 -137.88 74.8 1.49 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.149 0.499 . . . . 10.72 109.972 178.21 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -162.56 -47.07 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.574 -0.739 . . . . 10.41 110.573 -179.149 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 615' ' ' ILE . . . . . . . . . . . . . 54.6 mt -66.66 -49.91 70.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.816 -0.629 . . . . 8.92 110.359 -179.242 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 26.6 m-70 51.76 49.01 21.71 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.332 0.586 . . . . 7.47 111.202 177.383 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 32.2 t -139.79 -45.48 0.44 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.718 -0.674 . . . . 6.99 109.293 178.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 618' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -82.57 179.51 7.77 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.538 -0.755 . . . . 9.92 109.895 174.115 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 43.6 mtp180 -80.56 78.08 7.32 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.021 -0.536 . . . . 13.6 110.631 179.267 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 620' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -65.49 147.48 53.35 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.189 -0.459 . . . . 11.34 109.856 179.121 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 9.0 ptp180 . . . . . 0 C--O 1.247 0.966 0 CA-C-O 117.89 -1.053 . . . . 11.92 111.868 -174.338 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.849 0 N-CA-C 112.472 -0.251 . . . . 7.0 112.472 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . -99.97 -47.74 4.91 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.778 0.323 . . . . 5.89 110.993 179.456 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 26.7 ptm -77.72 -17.12 57.94 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-O 121.032 0.444 . . . . 6.52 110.914 -178.513 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -168.96 -163.51 0.43 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.92 -0.582 . . . . 2.69 110.028 -177.247 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 514' ' ' GLN . . . . . . . . . . . . . 4.1 mm100 72.92 -52.78 0.71 Allowed 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.038 0.935 . . . . 5.85 111.612 178.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 29.5 mmt85 69.8 -70.35 0.15 Allowed 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 123.549 0.74 . . . . 7.19 111.417 178.349 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -79.89 -38.39 32.71 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.011 0.434 . . . . 5.61 110.931 178.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . 96.95 -19.0 56.55 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.602 -0.809 . . . . 3.59 111.475 -175.374 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 518' ' ' ALA . . . . . 0.473 ' O ' ' HB ' ' A' ' 566' ' ' THR . . . -91.48 -9.25 45.15 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.098 0.475 . . . . 2.73 110.121 175.457 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -51.07 149.42 7.27 Favored Glycine 0 C--N 1.33 0.211 0 CA-C-N 115.058 -0.974 . . . . 2.08 112.925 -178.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -127.74 154.9 44.81 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 110.239 -0.282 . . . . 3.0 110.239 -177.196 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 93.0 t -93.23 134.34 31.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 121.18 0.514 . . . . 1.08 109.914 179.247 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 522' ' ' VAL . . . . . . . . . . . . . 67.6 t -105.56 133.95 48.44 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.952 0 CA-C-N 115.461 -0.791 . . . . 1.07 109.366 176.297 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 523' ' ' HIS . . . . . 0.453 ' HA ' ' O ' ' A' ' 559' ' ' ALA . 1.0 OUTLIER -107.52 132.88 52.77 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.735 -0.469 . . . . 2.21 109.735 -179.55 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 524' ' ' ILE . . . . . . . . . . . . . 77.4 mt -110.28 131.46 61.28 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.857 0 CA-C-N 115.69 -0.686 . . . . 1.06 110.427 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 15.0 p -122.37 176.34 5.93 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.707 -0.679 . . . . 2.22 110.474 -178.188 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 19.5 m120 69.06 26.33 5.63 Favored 'General case' 0 N--CA 1.468 0.454 0 O-C-N 123.76 0.663 . . . . 1.74 110.621 -178.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 79.3 mt -81.36 121.16 79.88 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 115.909 -0.587 . . . . 1.09 111.056 -175.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 528' ' ' PRO . . . . . 0.538 ' HD2' ' SG ' ' A' ' 532' ' ' CYS . 36.2 Cg_endo -68.12 131.88 24.75 Favored 'Trans proline' 0 C--O 1.237 0.461 0 C-N-CA 122.287 1.992 . . . . 0.88 111.62 175.595 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -68.4 124.37 23.35 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.895 -0.593 . . . . 2.98 110.93 -177.208 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 84.03 -15.0 40.68 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 121.004 -0.617 . . . . 0.97 113.685 176.03 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 531' ' ' SER . . . . . 0.5 ' HB3' ' OD1' ' A' ' 584' ' ' ASN . 13.1 m -91.2 -35.76 14.33 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 117.324 0.562 . . . . 1.63 111.363 -176.516 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 532' ' ' CYS . . . . . 0.538 ' SG ' ' HD2' ' A' ' 528' ' ' PRO . 86.0 m -86.54 134.32 33.67 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.518 -0.31 . . . . 1.73 110.472 176.828 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 53.4 p -103.62 167.4 9.82 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.538 -0.542 . . . . 1.27 109.538 177.361 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -54.13 -46.34 72.18 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.229 0.537 . . . . 1.32 110.308 -178.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -61.14 -42.98 99.52 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.015 -0.993 . . . . 2.62 111.485 -176.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -59.79 -47.4 85.83 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 120.919 0.39 . . . . 0.52 111.59 -175.361 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 51.6 t -62.61 -40.33 87.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.805 -0.634 . . . . 1.07 110.301 -177.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 85.8 mt -66.87 -42.29 88.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.632 -0.713 . . . . 1.07 110.343 177.075 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 539' ' ' ASN . . . . . 0.674 ' O ' ' HD3' ' A' ' 543' ' ' PRO . 11.1 m120 -61.21 -29.21 69.68 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 115.614 -0.721 . . . . 1.74 111.787 -178.798 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 540' ' ' LEU . . . . . 0.466 ' CD1' HD11 ' A' ' 588' ' ' LEU . 27.7 mt -69.0 -36.03 77.36 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.281 0.474 . . . . 1.08 112.281 -176.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -79.4 -33.9 33.88 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.156 -1.021 . . . . 0.26 111.971 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 542' ' ' LEU . . . . . . . . . . . . . 84.1 mt -53.85 -36.22 38.01 Favored Pre-proline 0 CA--C 1.55 0.963 0 N-CA-C 115.702 1.742 . . . . 1.11 115.702 -174.603 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 543' ' ' PRO . . . . . 0.674 ' HD3' ' O ' ' A' ' 539' ' ' ASN . 89.2 Cg_exo -55.87 -34.1 90.57 Favored 'Trans proline' 0 C--N 1.354 0.849 0 CA-C-N 121.498 1.571 . . . . 0.22 114.587 -176.57 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 -111.72 -18.35 12.77 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 113.21 0.819 . . . . 0.42 113.21 177.127 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 545' ' ' GLY . . . . . 0.51 ' CA ' ' HB3' ' A' ' 568' ' ' ALA . . . -134.04 -164.8 10.78 Favored Glycine 0 C--O 1.225 -0.418 0 C-N-CA 120.581 -0.819 . . . . 1.14 113.391 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 546' ' ' LYS . . . . . 0.557 ' O ' ' HA ' ' A' ' 563' ' ' MET . 23.9 tptm -136.7 143.11 43.21 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 110.209 -0.293 . . . . 2.18 110.209 179.286 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 547' ' ' VAL . . . . . 0.511 ' HA ' ' O ' ' A' ' 562' ' ' GLU . 89.7 t -104.91 136.06 40.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 123.4 0.438 . . . . 1.06 111.44 -174.378 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 58.0 p -101.96 -35.26 9.04 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 121.148 0.499 . . . . 1.05 110.841 176.375 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 549' ' ' ASN . . . . . 0.487 ' HB3' ' NZ ' ' A' ' 606' ' ' LYS . 0.0 OUTLIER -165.25 168.1 17.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.815 -0.63 . . . . 1.46 109.887 175.751 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 550' ' ' TYR . . . . . 0.431 ' O ' HD23 ' A' ' 601' ' ' LEU . 22.3 p90 -141.17 151.1 43.57 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.842 0.354 . . . . 0.99 110.82 -175.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 32.9 mt -128.11 120.93 54.76 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 N-CA-C 108.675 -0.861 . . . . 1.19 108.675 171.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 552' ' ' LEU . . . . . . . . . . . . . 71.1 mt -111.56 110.77 21.35 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 116.029 -0.532 . . . . 1.21 111.517 -177.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 62.8 mtt -108.16 85.36 2.1 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.512 0.673 . . . . 1.46 109.715 174.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -67.68 -29.99 69.41 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.289 -0.869 . . . . 1.98 110.297 -178.335 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 67.2 p -63.68 -30.95 71.99 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.545 -0.752 . . . . 1.26 111.417 -179.455 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 71.9 p -101.78 8.67 41.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.783 0.325 . . . . 1.41 111.118 178.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 56.66 42.13 27.39 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.422 -0.808 . . . . 2.35 111.104 179.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -142.46 149.2 38.92 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.999 0.428 . . . . 2.3 110.591 -176.353 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 559' ' ' ALA . . . . . 0.453 ' O ' ' HA ' ' A' ' 523' ' ' HIS . . . -130.82 143.85 51.03 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.132 -0.486 . . . . 1.06 110.318 177.527 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 560' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 -124.59 126.15 45.32 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.994 0.426 . . . . 0.45 109.851 177.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 561' ' ' LEU . . . . . 0.415 HD21 ' HE2' ' A' ' 563' ' ' MET . 15.5 tp -123.98 127.21 47.59 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.994 -0.548 . . . . 1.06 109.884 -176.306 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 562' ' ' GLU . . . . . 0.511 ' O ' ' HA ' ' A' ' 547' ' ' VAL . 9.8 tp10 -99.78 138.32 37.03 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-O 120.654 0.264 . . . . 1.85 110.964 -174.193 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 563' ' ' MET . . . . . 0.604 ' HE3' ' SD ' ' A' ' 572' ' ' MET . 19.4 mmt -111.61 139.23 47.23 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.417 0.627 . . . . 1.16 111.535 -173.388 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -68.54 -22.34 64.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.087 -0.961 . . . . 1.13 111.44 -178.315 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -132.55 143.38 49.68 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.829 -0.804 . . . . 1.44 108.829 -179.062 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 566' ' ' THR . . . . . 0.537 ' O ' ' HG3' ' A' ' 570' ' ' GLN . 14.0 t -67.27 -37.98 84.34 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.941 -0.392 . . . . 1.18 109.941 178.497 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -66.51 -32.84 74.45 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-N 115.848 -0.615 . . . . 1.91 110.332 177.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 568' ' ' ALA . . . . . 0.51 ' HB3' ' CA ' ' A' ' 545' ' ' GLY . . . -62.21 -44.57 96.28 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.991 -0.549 . . . . 1.07 109.665 177.288 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -68.41 -46.28 70.39 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.654 -0.703 . . . . 1.06 111.546 178.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 570' ' ' GLN . . . . . 0.537 ' HG3' ' O ' ' A' ' 566' ' ' THR . 73.3 mt-30 -67.51 -46.88 71.59 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.51 -0.314 . . . . 1.35 111.258 -176.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -66.28 -39.08 89.16 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 116.424 -0.353 . . . . 1.09 111.43 -175.232 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 572' ' ' MET . . . . . 0.604 ' SD ' ' HE3' ' A' ' 563' ' ' MET . 14.7 ptp -67.59 -45.92 74.1 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 109.902 -0.407 . . . . 1.11 109.902 -179.553 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 573' ' ' VAL . . . . . 0.482 ' N ' ' HG3' ' A' ' 572' ' ' MET . 55.0 t -67.08 -37.5 79.41 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.559 0 CA-C-N 116.188 -0.46 . . . . 1.05 111.549 -177.02 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -59.29 -37.42 77.66 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.608 -0.515 . . . . 2.38 109.608 175.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 575' ' ' TYR . . . . . 0.407 ' HD2' ' CD2' ' A' ' 576' ' ' TYR . 72.6 t80 -69.1 -48.81 61.59 Favored 'General case' 0 C--O 1.216 -0.693 0 CA-C-N 115.906 -0.588 . . . . 0.99 111.276 173.779 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 576' ' ' TYR . . . . . 0.497 ' CB ' ' HB ' ' A' ' 590' ' ' ILE . 19.4 m-85 -75.93 -25.49 56.02 Favored 'General case' 0 C--O 1.222 -0.39 0 N-CA-C 112.873 0.694 . . . . 0.38 112.873 -171.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 2.4 mm100 -70.92 -26.4 63.19 Favored 'General case' 0 C--N 1.318 -0.763 0 O-C-N 121.952 -0.468 . . . . 1.86 110.361 174.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -97.41 -39.89 8.96 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.949 -0.569 . . . . 2.07 111.326 178.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -131.86 83.93 55.62 Favored Pre-proline 0 C--N 1.327 -0.41 0 N-CA-C 109.617 -0.512 . . . . 2.57 109.617 176.361 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_exo -73.24 159.74 46.51 Favored 'Trans proline' 0 CA--C 1.533 0.475 0 C-N-CA 123.5 2.8 . . . . 0.21 113.259 -173.036 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -93.68 153.86 18.13 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 115.883 -0.599 . . . . 1.02 111.35 -172.262 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 582' ' ' ILE . . . . . 0.443 HG12 ' HG2' ' A' ' 587' ' ' LYS . 64.0 mt -115.55 128.01 72.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 111.943 0.349 . . . . 1.16 111.943 -174.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 583' ' ' ILE . . . . . . . . . . . . . 48.2 mt -123.22 121.4 62.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.185 -0.461 . . . . 1.42 110.36 171.456 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 584' ' ' ASN . . . . . 0.5 ' OD1' ' HB3' ' A' ' 531' ' ' SER . 0.8 OUTLIER 59.38 34.51 22.8 Favored 'General case' 0 N--CA 1.469 0.52 0 O-C-N 123.433 0.458 . . . . 1.7 111.501 176.556 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 85.95 -0.23 87.63 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.915 -0.659 . . . . 0.69 113.156 178.192 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 36.6 mm-40 -102.2 127.28 49.21 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 110.002 -0.37 . . . . 1.93 110.002 179.513 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 587' ' ' LYS . . . . . 0.443 ' HG2' HG12 ' A' ' 582' ' ' ILE . 27.6 mtpp -85.02 107.47 17.15 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.251 -0.648 . . . . 2.64 109.251 177.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 588' ' ' LEU . . . . . 0.466 HD11 ' CD1' ' A' ' 540' ' ' LEU . 47.9 mt -88.06 130.74 34.9 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.849 -0.614 . . . . 1.09 110.584 -175.765 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 49.8 tp -83.98 109.23 17.47 Favored 'General case' 0 N--CA 1.44 -0.957 0 N-CA-C 108.863 -0.792 . . . . 1.1 108.863 173.427 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 590' ' ' ILE . . . . . 0.497 ' HB ' ' CB ' ' A' ' 576' ' ' TYR . 43.1 mt -96.88 115.08 35.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 N-CA-C 108.343 -0.984 . . . . 1.04 108.343 178.336 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 591' ' ' ARG . . . . . 0.461 ' HA ' ' CG1' ' A' ' 573' ' ' VAL . 10.3 ptm180 -145.6 164.6 31.18 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.978 0.418 . . . . 3.66 111.972 -174.274 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 592' ' ' MET . . . . . 0.41 ' HG2' HG11 ' A' ' 573' ' ' VAL . 0.8 OUTLIER -62.46 143.12 57.48 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.739 -0.664 . . . . 1.06 110.161 -174.838 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 24.6 t -87.65 126.77 35.15 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.764 0.316 . . . . 1.57 110.421 179.499 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 12.5 p -94.63 -22.41 18.18 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.242 0.544 . . . . 2.17 110.246 176.388 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 25.8 mtp180 -79.25 -40.77 29.78 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.527 -0.76 . . . . 3.39 111.017 -178.134 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -116.35 131.53 56.92 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.925 0.393 . . . . 1.27 110.519 178.588 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 597' ' ' LYS . . . . . 0.432 ' N ' ' HD3' ' A' ' 597' ' ' LYS . 0.0 OUTLIER -93.2 -27.12 17.06 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.62 -0.718 . . . . 3.84 110.104 175.788 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 598' ' ' GLU . . . . . 0.469 ' HA ' ' OE2' ' A' ' 562' ' ' GLU . 8.0 pt-20 -154.25 145.04 22.49 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.605 -0.725 . . . . 2.02 109.943 -177.775 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 599' ' ' LEU . . . . . . . . . . . . . 64.1 mt -92.74 123.55 36.1 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.001 0.429 . . . . 1.09 110.994 178.428 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -114.86 82.37 1.72 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.14 -0.482 . . . . 3.46 110.338 179.488 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 601' ' ' LEU . . . . . 0.431 HD23 ' O ' ' A' ' 550' ' ' TYR . 27.7 mt -63.16 146.84 52.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.327 0.584 . . . . 1.47 111.867 179.713 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 602' ' ' LYS . . . . . 0.533 ' H ' ' HD2' ' A' ' 602' ' ' LYS . 0.0 OUTLIER -79.05 -2.45 40.48 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.265 -0.879 . . . . 5.81 110.821 176.934 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -78.29 119.87 78.98 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 116.081 -0.509 . . . . 6.08 110.505 178.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 604' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -80.42 -13.05 12.45 Favored 'Trans proline' 0 N--CA 1.464 -0.256 0 C-N-CA 122.612 2.208 . . . . 6.24 112.421 178.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 605' ' ' GLY . . . . . . . . . . . . . . . -107.61 89.07 0.56 Allowed Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.863 -0.684 . . . . 6.9 112.176 -178.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . 0.487 ' NZ ' ' HB3' ' A' ' 549' ' ' ASN . 12.1 mmmm -110.26 134.97 51.72 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.63 0.252 . . . . 9.18 110.461 177.011 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -141.44 -47.79 0.39 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.198 -0.455 . . . . 9.69 110.59 176.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 60.3 t 68.33 -78.18 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 CA-C-N 115.659 -0.7 . . . . 9.96 110.583 -178.367 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -142.01 -57.79 0.46 Allowed 'General case' 0 N--CA 1.443 -0.793 0 N-CA-C 109.272 -0.64 . . . . 9.72 109.272 174.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 610' ' ' ALA . . . . . 0.426 ' HB1' ' HB2' ' A' ' 620' ' ' GLU . . . -158.57 109.71 2.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.805 -0.634 . . . . 9.52 110.639 175.113 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 55.3 mt -78.91 83.06 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.443 0.64 . . . . 8.52 109.721 177.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 612' ' ' ILE . . . . . . . . . . . . . 40.1 mt -76.75 101.78 3.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 115.364 -0.834 . . . . 9.1 109.827 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -86.39 -28.21 23.73 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.387 -0.37 . . . . 10.72 110.933 -176.453 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 43.8 m-20 -66.18 -51.64 55.81 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.119 0.485 . . . . 10.41 110.134 179.664 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 615' ' ' ILE . . . . . . . . . . . . . 68.7 mt -116.51 106.5 20.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.684 -0.689 . . . . 8.92 109.779 176.484 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -77.67 64.25 2.92 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.19 0.519 . . . . 7.47 110.382 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 617' ' ' SER . . . . . 0.422 ' O ' ' HB2' ' A' ' 618' ' ' GLN . 11.0 t -173.62 -154.3 0.07 Allowed 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.389 -0.967 . . . . 6.99 108.389 -179.33 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 618' ' ' GLN . . . . . 0.422 ' HB2' ' O ' ' A' ' 617' ' ' SER . 42.8 mt-30 70.01 161.53 0.22 Allowed 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.563 0.697 . . . . 9.92 111.544 -179.8 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 82.2 mtp180 -84.01 100.93 11.38 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.545 -0.752 . . . . 13.6 109.009 173.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 620' ' ' GLU . . . . . 0.426 ' HB2' ' HB1' ' A' ' 610' ' ' ALA . 13.4 pt-20 -59.62 138.78 57.62 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.014 -0.539 . . . . 11.34 110.406 -178.769 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 74.9 mtp180 . . . . . 0 C--O 1.245 0.862 0 CA-C-O 118.603 -0.713 . . . . 11.92 111.183 -173.306 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.795 0 N-CA-C 112.188 -0.365 . . . . 7.0 112.188 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . -93.85 93.49 7.97 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.747 0.308 . . . . 5.89 110.487 179.173 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 3.3 mpp? -55.12 -56.67 17.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.821 -0.627 . . . . 6.52 109.915 179.264 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -96.75 179.13 5.08 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 115.644 -0.707 . . . . 2.69 109.713 176.577 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 514' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 70.07 -50.18 0.64 Allowed 'General case' 0 N--CA 1.466 0.356 0 O-C-N 123.739 0.65 . . . . 5.85 111.111 -176.588 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 515' ' ' ARG . . . . . 0.411 ' NE ' ' HA ' ' A' ' 515' ' ' ARG . 2.1 mmp_? 72.57 -55.7 0.67 Allowed 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.801 0.84 . . . . 7.19 111.401 175.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 2.9 mmmp? -113.82 174.32 5.99 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.977 -0.556 . . . . 5.61 110.043 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -78.34 62.68 3.73 Favored Glycine 0 N--CA 1.449 -0.473 0 N-CA-C 111.666 -0.573 . . . . 3.59 111.666 179.079 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 518' ' ' ALA . . . . . . . . . . . . . . . -151.09 -73.84 0.15 Allowed 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.879 -0.415 . . . . 2.73 109.879 -179.537 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 45.67 68.36 1.03 Allowed Glycine 0 C--N 1.338 0.678 0 O-C-N 123.852 0.72 . . . . 2.08 112.688 177.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -103.06 144.72 30.92 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.842 0.354 . . . . 3.0 110.853 -176.047 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 97.7 t -96.2 134.57 33.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 115.818 -0.628 . . . . 1.08 111.844 -175.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 522' ' ' VAL . . . . . . . . . . . . . 85.0 t -106.15 135.65 43.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 115.008 -0.996 . . . . 1.07 109.699 173.639 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 14.0 t-160 -105.57 126.95 52.73 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.03 0.443 . . . . 2.21 110.088 -177.472 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 524' ' ' ILE . . . . . . . . . . . . . 69.3 mt -105.11 133.66 48.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.756 -0.656 . . . . 1.06 110.416 179.316 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 75.1 m -116.86 175.5 5.55 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.998 -0.546 . . . . 2.22 111.228 -177.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 12.8 m120 70.05 28.68 4.04 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 115.563 -0.744 . . . . 1.74 110.945 177.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 527' ' ' LEU . . . . . 0.419 HD22 ' SG ' ' A' ' 532' ' ' CYS . 81.2 mt -90.59 122.72 66.76 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 115.644 -0.707 . . . . 1.09 111.585 -176.495 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 528' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -68.9 136.18 34.61 Favored 'Trans proline' 0 C--O 1.235 0.362 0 C-N-CA 123.052 2.501 . . . . 0.88 112.391 175.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -63.54 124.95 22.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.365 -0.379 . . . . 2.98 111.257 -177.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 76.9 -18.25 4.07 Favored Glycine 0 CA--C 1.52 0.393 0 CA-C-N 116.207 -0.451 . . . . 0.97 114.107 174.244 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 30.5 t -88.2 -11.26 47.26 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 117.192 0.496 . . . . 1.63 110.494 -177.446 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 532' ' ' CYS . . . . . 0.419 ' SG ' HD22 ' A' ' 527' ' ' LEU . 60.8 m -85.25 137.16 33.17 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.997 -0.547 . . . . 1.73 110.483 179.083 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 35.0 p -105.96 159.49 16.0 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.59 -0.522 . . . . 1.27 109.59 177.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -63.91 -47.73 79.39 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.083 0.468 . . . . 1.32 110.249 177.467 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -64.82 -44.1 90.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.529 -0.759 . . . . 2.62 112.37 -171.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 536' ' ' ASP . . . . . 0.493 ' O ' ' HG ' ' A' ' 540' ' ' LEU . 24.8 m-20 -65.5 -45.62 82.86 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.662 -0.415 . . . . 0.52 111.25 -175.567 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 95.3 t -62.72 -41.79 93.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.276 -0.42 . . . . 1.07 110.892 -178.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 98.9 mt -66.94 -45.96 86.06 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 CA-C-N 116.363 -0.381 . . . . 1.07 110.869 178.526 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 539' ' ' ASN . . . . . 0.58 ' O ' ' HD3' ' A' ' 543' ' ' PRO . 24.3 m-80 -62.98 -26.34 68.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.059 -0.518 . . . . 1.74 112.267 179.192 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 540' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' ' 536' ' ' ASP . 22.2 mt -66.78 -36.73 83.1 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 111.799 0.296 . . . . 1.08 111.799 176.714 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -77.58 -42.1 18.52 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.219 -0.991 . . . . 0.26 112.247 -179.398 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 542' ' ' LEU . . . . . 0.531 ' HA ' ' O ' ' A' ' 545' ' ' GLY . 60.4 mt -47.62 -40.65 30.87 Favored Pre-proline 0 CA--C 1.551 1.002 0 N-CA-C 115.815 1.783 . . . . 1.11 115.815 -173.234 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 543' ' ' PRO . . . . . 0.58 ' HD3' ' O ' ' A' ' 539' ' ' ASN . 67.6 Cg_exo -50.21 -35.65 43.79 Favored 'Trans proline' 0 C--N 1.359 1.13 0 C-N-CA 122.035 1.823 . . . . 0.22 115.611 -173.857 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -112.13 -19.39 12.3 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.0 -0.68 . . . . 0.42 112.684 177.484 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 545' ' ' GLY . . . . . 0.55 ' CA ' ' HB2' ' A' ' 568' ' ' ALA . . . -144.87 136.41 6.6 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.447 -0.882 . . . . 1.14 113.369 177.316 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 546' ' ' LYS . . . . . 0.426 ' O ' ' HA ' ' A' ' 563' ' ' MET . 43.5 tttp -72.16 141.99 49.08 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.896 0.379 . . . . 2.18 111.033 -179.001 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 95.5 t -100.71 136.3 32.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.646 -0.707 . . . . 1.06 110.477 -178.6 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 39.6 p -107.06 -38.5 6.0 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.664 -0.698 . . . . 1.05 111.382 179.4 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -155.16 167.06 31.61 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.061 -0.518 . . . . 1.46 110.266 -178.022 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 54.1 p90 -144.97 151.05 38.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.999 0.428 . . . . 0.99 111.711 179.526 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 46.2 mt -127.34 120.72 55.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 108.072 -1.084 . . . . 1.19 108.072 167.269 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 552' ' ' LEU . . . . . . . . . . . . . 83.3 mt -113.98 111.22 21.32 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 116.483 -0.326 . . . . 1.21 111.338 -176.555 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 64.9 mtt -108.01 82.59 1.66 Allowed 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.768 -0.827 . . . . 1.46 108.768 173.558 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -70.01 -32.87 71.27 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.396 -0.82 . . . . 1.98 111.207 -174.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 65.5 p -68.8 -27.31 65.75 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.005 -0.543 . . . . 1.26 111.766 -178.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 556' ' ' THR . . . . . 0.449 ' O ' ' HG3' ' A' ' 558' ' ' GLN . 78.1 p -103.96 12.45 34.23 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.735 0.302 . . . . 1.41 111.049 -178.681 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 16.5 m120 58.68 42.72 19.9 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 115.688 -0.687 . . . . 2.35 111.928 179.066 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 558' ' ' GLN . . . . . 0.449 ' HG3' ' O ' ' A' ' 556' ' ' THR . 46.1 mt-30 -139.47 148.12 42.28 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.089 0.471 . . . . 2.3 111.386 -176.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -140.72 142.91 34.78 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.699 -0.482 . . . . 1.06 109.699 172.397 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 560' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 -127.32 125.3 40.57 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 108.8 -0.815 . . . . 0.45 108.8 177.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 561' ' ' LEU . . . . . 0.45 ' HB3' ' HE2' ' A' ' 563' ' ' MET . 15.0 tp -122.21 135.7 54.8 Favored 'General case' 0 C--N 1.313 -0.996 0 N-CA-C 109.218 -0.66 . . . . 1.06 109.218 -173.71 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 562' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -100.22 127.73 46.43 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.989 0.423 . . . . 1.85 110.608 -176.272 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 563' ' ' MET . . . . . 0.74 ' HG2' ' SD ' ' A' ' 572' ' ' MET . 0.6 OUTLIER -104.94 134.24 48.39 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.488 -0.778 . . . . 1.16 110.429 -179.492 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -63.78 -31.97 73.32 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.045 -0.979 . . . . 1.13 111.998 -174.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -124.56 133.86 53.16 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.107 -0.497 . . . . 1.44 109.777 -171.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 3.7 t -61.61 -37.48 84.1 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.833 -0.621 . . . . 1.18 110.646 178.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -66.95 -33.93 76.65 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-O 120.92 0.391 . . . . 1.91 110.137 176.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 568' ' ' ALA . . . . . 0.55 ' HB2' ' CA ' ' A' ' 545' ' ' GLY . . . -65.35 -46.65 79.38 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.77 -0.65 . . . . 1.07 109.994 178.009 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . 0.815 ' HA ' ' SD ' ' A' ' 572' ' ' MET . . . -67.0 -45.7 76.78 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.602 -0.726 . . . . 1.06 111.747 -176.705 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 570' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -68.1 -43.85 77.54 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.186 -0.461 . . . . 1.35 111.141 -176.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -69.05 -43.28 74.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.4 -0.364 . . . . 1.09 111.818 -177.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 572' ' ' MET . . . . . 0.815 ' SD ' ' HA ' ' A' ' 569' ' ' ALA . 6.7 ptm -59.73 -44.56 93.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.953 0.406 . . . . 1.11 110.517 -176.108 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 573' ' ' VAL . . . . . . . . . . . . . 61.0 t -66.97 -36.36 76.96 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.698 0 CA-C-N 115.976 -0.557 . . . . 1.05 111.008 -178.386 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -59.36 -36.74 76.3 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.887 -0.325 . . . . 2.38 110.213 177.078 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 79.2 t80 -68.02 -49.72 59.76 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.307 -0.406 . . . . 0.99 110.921 172.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 576' ' ' TYR . . . . . 0.403 ' CB ' ' HB ' ' A' ' 590' ' ' ILE . 24.5 m-85 -73.64 -16.3 61.23 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.537 0.569 . . . . 0.38 112.537 -173.772 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 80.9 mm-40 -79.47 -27.0 41.56 Favored 'General case' 0 C--N 1.317 -0.837 0 O-C-N 122.134 -0.354 . . . . 1.86 110.859 174.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -97.06 -39.73 9.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.244 0.545 . . . . 2.07 111.065 177.172 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -130.36 80.22 70.9 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 115.633 -0.712 . . . . 2.57 109.486 177.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 14.4 Cg_exo -70.92 159.09 53.64 Favored 'Trans proline' 0 C--O 1.233 0.259 0 C-N-CA 123.555 2.837 . . . . 0.21 113.255 -172.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 581' ' ' ALA . . . . . 0.434 ' HB2' HD22 ' A' ' 540' ' ' LEU . . . -93.93 154.48 17.67 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.616 -0.72 . . . . 1.02 110.819 -174.849 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 64.5 mt -119.86 137.52 53.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 112.02 0.378 . . . . 1.16 112.02 -171.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 583' ' ' ILE . . . . . 0.446 ' CD1' ' HB3' ' A' ' 536' ' ' ASP . 29.4 mm -121.97 117.77 53.44 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.216 0 CA-C-N 116.223 -0.444 . . . . 1.42 110.309 172.153 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 57.4 37.24 27.85 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 120.795 0.331 . . . . 1.7 111.515 175.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 84.07 0.73 89.68 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.517 -0.849 . . . . 0.69 112.818 179.547 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -101.03 126.11 47.69 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.591 -0.522 . . . . 1.93 109.591 179.29 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 27.3 mtpp -83.29 107.47 15.84 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.128 0.49 . . . . 2.64 110.228 -177.563 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 588' ' ' LEU . . . . . 0.429 HD13 ' CG1' ' A' ' 583' ' ' ILE . 31.8 mt -84.29 139.46 32.3 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.702 -0.681 . . . . 1.09 110.611 -176.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 31.3 tp -95.36 110.08 22.15 Favored 'General case' 0 C--N 1.31 -1.12 0 N-CA-C 108.692 -0.855 . . . . 1.1 108.692 171.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 590' ' ' ILE . . . . . 0.403 ' HB ' ' CB ' ' A' ' 576' ' ' TYR . 38.0 mt -95.96 115.26 34.69 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 N-CA-C 108.139 -1.06 . . . . 1.04 108.139 178.186 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -135.53 160.25 39.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.018 0.437 . . . . 3.66 111.786 -170.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 592' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -64.47 126.76 28.85 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.128 -0.693 . . . . 1.06 109.128 177.611 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 32.9 t -75.04 127.0 32.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.074 0.464 . . . . 1.57 111.062 -174.094 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 13.3 t -98.53 4.05 48.18 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.68 -0.691 . . . . 2.17 109.671 175.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 35.2 mmt180 -103.78 -39.36 6.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.834 -0.621 . . . . 3.39 110.873 -177.379 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 65.2 m-85 -124.8 135.4 52.91 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.342 -0.39 . . . . 1.27 110.695 -177.161 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -89.85 -41.43 11.82 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.231 -0.655 . . . . 3.84 109.231 172.38 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -143.45 155.59 44.41 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.049 -0.978 . . . . 2.02 109.218 176.487 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 599' ' ' LEU . . . . . . . . . . . . . 93.4 mt -92.67 109.37 20.78 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.11 0.481 . . . . 1.09 110.548 -179.196 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -94.02 71.76 4.01 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.412 0.625 . . . . 3.46 110.431 -179.657 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 97.8 mt -67.63 143.71 55.89 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.257 -0.883 . . . . 1.47 110.484 177.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.38 -3.32 45.79 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.394 0.616 . . . . 5.81 110.132 176.659 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt -79.61 129.19 72.26 Favored Pre-proline 0 C--N 1.327 -0.407 0 N-CA-C 108.85 -0.796 . . . . 6.08 108.85 171.333 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 604' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_endo -73.87 58.63 4.11 Favored 'Trans proline' 0 CA--C 1.533 0.448 0 C-N-CA 122.976 2.451 . . . . 6.24 113.999 -172.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 605' ' ' GLY . . . . . . . . . . . . . . . 60.61 63.23 5.16 Favored Glycine 0 N--CA 1.452 -0.236 0 CA-C-N 116.27 -0.423 . . . . 6.9 113.119 174.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 35.8 mmtp -106.87 12.23 29.13 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.663 0.268 . . . . 9.18 110.591 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 607' ' ' ASN . . . . . 0.431 HD21 ' HA ' ' A' ' 611' ' ' ILE . 56.1 m-20 61.55 -149.37 0.4 Allowed 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.877 -0.602 . . . . 9.69 110.519 178.238 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 59.0 t -81.61 -83.27 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.553 -0.294 . . . . 9.96 110.439 177.426 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -138.93 10.98 2.63 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-O 121.101 0.477 . . . . 9.72 110.589 176.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -159.14 167.25 29.63 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.808 -0.633 . . . . 9.52 109.83 -178.017 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . 0.431 ' HA ' HD21 ' A' ' 607' ' ' ASN . 50.3 mm -79.29 93.52 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 109.564 -0.532 . . . . 8.52 109.564 176.578 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 612' ' ' ILE . . . . . . . . . . . . . 59.2 mt -118.0 78.7 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.601 -0.727 . . . . 9.1 109.322 178.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -139.03 -19.53 0.99 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.712 -0.676 . . . . 10.72 111.635 -171.246 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -77.71 -65.21 0.99 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.614 -0.266 . . . . 10.41 111.465 -173.3 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 615' ' ' ILE . . . . . . . . . . . . . 29.5 mt -77.48 138.67 20.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 109.6 -0.519 . . . . 8.92 109.6 -176.297 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 86.3 m-70 -81.81 -32.41 31.29 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.309 0.485 . . . . 7.47 112.309 -166.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 5.3 t -117.04 -1.89 11.83 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.251 -0.58 . . . . 6.99 112.236 -174.319 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 618' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -90.42 154.78 19.41 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 121.24 0.543 . . . . 9.92 111.529 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 91.5 mtt180 -90.86 27.05 1.9 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.416 -0.811 . . . . 13.6 110.039 -179.141 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 620' ' ' GLU . . . . . 0.42 ' O ' ' HB2' ' A' ' 621' ' ' ARG . 37.4 tt0 -165.62 148.86 7.87 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.223 -0.899 . . . . 11.34 108.813 -174.62 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 621' ' ' ARG . . . . . 0.608 ' NE ' ' HA ' ' A' ' 621' ' ' ARG . 2.7 mmp_? . . . . . 0 C--O 1.248 1.009 0 O-C-N 124.001 0.813 . . . . 11.92 111.586 -179.629 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.607 0 N-CA-C 112.029 -0.428 . . . . 7.0 112.029 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . -80.59 133.01 35.71 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.773 0.321 . . . . 5.89 110.824 -177.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -154.89 -179.22 7.83 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 108.873 -0.788 . . . . 6.52 108.873 177.061 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 513' ' ' ALA . . . . . 0.408 ' CB ' ' HB ' ' A' ' 548' ' ' THR . . . -85.57 -152.56 0.16 Allowed 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 116.753 -0.203 . . . . 2.69 110.887 -178.832 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 514' ' ' GLN . . . . . . . . . . . . . 9.6 mm100 60.57 91.51 0.05 Allowed 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 121.281 0.562 . . . . 5.85 110.595 -179.246 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 515' ' ' ARG . . . . . 0.526 ' NE ' ' HA ' ' A' ' 515' ' ' ARG . 4.3 mmp_? -84.39 -44.98 13.2 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.91 -0.586 . . . . 7.19 111.055 -174.556 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -99.24 157.33 16.46 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.459 -0.337 . . . . 5.61 110.101 177.338 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -77.8 58.39 3.86 Favored Glycine 0 N--CA 1.452 -0.255 0 CA-C-N 116.193 -0.458 . . . . 3.59 113.115 -175.011 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 518' ' ' ALA . . . . . . . . . . . . . . . -157.11 -86.51 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.665 0.269 . . . . 2.73 110.874 179.16 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 75.95 145.73 1.62 Allowed Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.898 -0.668 . . . . 2.08 111.808 -176.273 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 520' ' ' ARG . . . . . 0.43 ' HA ' ' O ' ' A' ' 597' ' ' LYS . 79.0 mtt180 -145.84 143.23 29.5 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.681 0.277 . . . . 3.0 110.555 177.752 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 521' ' ' VAL . . . . . 0.421 ' HB ' ' O ' ' A' ' 596' ' ' TYR . 78.3 t -96.4 135.18 31.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.851 -0.613 . . . . 1.08 110.814 178.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 522' ' ' VAL . . . . . . . . . . . . . 49.4 t -101.96 135.42 38.88 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-N 115.447 -0.797 . . . . 1.07 109.495 175.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 20.3 t-80 -105.35 116.67 32.34 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.048 0.451 . . . . 2.21 110.544 -176.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 524' ' ' ILE . . . . . . . . . . . . . 73.6 mt -108.64 123.73 64.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 115.483 -0.78 . . . . 1.06 109.773 177.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 525' ' ' CYS . . . . . 0.407 ' SG ' ' HG2' ' A' ' 558' ' ' GLN . 23.7 t -121.22 176.32 5.67 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.207 -0.451 . . . . 2.22 110.075 -177.611 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 68.1 30.81 5.7 Favored 'General case' 0 C--N 1.331 -0.229 0 O-C-N 123.775 0.672 . . . . 1.74 110.599 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 87.4 mt -86.34 120.24 72.07 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 116.086 -0.506 . . . . 1.09 110.763 -178.306 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 528' ' ' PRO . . . . . 0.542 ' HD2' ' SG ' ' A' ' 532' ' ' CYS . 37.3 Cg_endo -69.74 130.45 19.39 Favored 'Trans proline' 0 C--O 1.237 0.453 0 C-N-CA 122.019 1.813 . . . . 0.88 111.766 175.344 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.57 139.34 53.7 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.178 -0.465 . . . . 2.98 110.797 177.799 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 82.17 -18.7 12.41 Favored Glycine 0 N--CA 1.449 -0.462 0 CA-C-N 115.795 -0.639 . . . . 0.97 113.262 177.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 531' ' ' SER . . . . . 0.45 ' HB3' HD21 ' A' ' 584' ' ' ASN . 17.2 m -99.6 -38.32 8.79 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 117.181 0.49 . . . . 1.63 110.676 179.038 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 532' ' ' CYS . . . . . 0.542 ' SG ' ' HD2' ' A' ' 528' ' ' PRO . 71.6 m -89.17 126.26 35.4 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.283 -0.417 . . . . 1.73 110.556 174.427 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 39.2 p -105.9 170.88 7.65 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.702 -0.481 . . . . 1.27 109.702 176.367 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 534' ' ' GLU . . . . . 0.506 ' HG2' ' CD1' ' A' ' 552' ' ' LEU . 34.1 mt-10 -53.07 -46.38 68.56 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.096 0.474 . . . . 1.32 110.468 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -62.98 -42.65 99.9 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.176 -0.92 . . . . 2.62 111.986 -174.337 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 536' ' ' ASP . . . . . 0.555 ' O ' ' HG ' ' A' ' 540' ' ' LEU . 48.2 m-20 -59.65 -46.06 90.15 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 120.845 0.355 . . . . 0.52 111.126 -175.411 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 60.7 t -61.89 -42.78 95.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.812 -0.631 . . . . 1.07 110.183 -178.18 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 538' ' ' ILE . . . . . 0.43 ' O ' ' HG ' ' A' ' 542' ' ' LEU . 85.1 mt -66.1 -45.63 89.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.758 -0.655 . . . . 1.07 110.588 178.119 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -61.23 -28.37 69.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.611 -0.722 . . . . 1.74 111.85 -178.072 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 540' ' ' LEU . . . . . 0.555 ' HG ' ' O ' ' A' ' 536' ' ' ASP . 52.9 mt -73.84 -33.38 64.09 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 111.612 0.227 . . . . 1.08 111.612 179.125 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -78.9 -40.4 17.34 Favored Glycine 0 N--CA 1.453 -0.173 0 C-N-CA 120.366 -0.921 . . . . 0.26 112.565 -177.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 542' ' ' LEU . . . . . 0.547 ' HA ' ' O ' ' A' ' 545' ' ' GLY . 87.7 mt -47.65 -46.29 60.5 Favored Pre-proline 0 CA--C 1.546 0.81 0 N-CA-C 114.706 1.372 . . . . 1.11 114.706 -174.504 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -46.9 -34.48 16.33 Favored 'Trans proline' 0 C--N 1.361 1.186 0 C-N-CA 122.612 2.208 . . . . 0.22 115.59 -172.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 544' ' ' PHE . . . . . 0.488 ' HB2' ' CB ' ' A' ' 572' ' ' MET . 74.1 m-85 -111.83 -18.15 12.77 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.158 -0.617 . . . . 0.42 112.633 175.141 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 545' ' ' GLY . . . . . 0.547 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . -150.45 133.98 4.57 Favored Glycine 0 C--O 1.225 -0.435 0 C-N-CA 120.65 -0.786 . . . . 1.14 113.243 179.02 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -70.56 137.97 50.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.976 0.417 . . . . 2.18 111.386 179.376 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 91.1 t -94.69 136.27 26.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.276 -0.875 . . . . 1.06 110.89 -177.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 548' ' ' THR . . . . . 0.408 ' HB ' ' CB ' ' A' ' 513' ' ' ALA . 33.6 p -104.99 -42.06 5.43 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.043 -0.526 . . . . 1.05 112.133 178.181 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 67.6 m-80 -149.48 165.79 31.09 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.699 -0.482 . . . . 1.46 109.699 -177.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 33.3 p90 -148.96 149.48 31.25 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.11 0.481 . . . . 0.99 111.082 178.427 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 15.7 mt -128.96 124.54 61.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 109.021 -0.733 . . . . 1.19 109.021 173.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 552' ' ' LEU . . . . . 0.506 ' CD1' ' HG2' ' A' ' 534' ' ' GLU . 85.1 mt -110.32 111.01 22.03 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 116.283 -0.417 . . . . 1.21 111.245 -176.282 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 65.1 mtt -107.58 84.31 1.94 Allowed 'General case' 0 N--CA 1.446 -0.64 0 CA-C-O 121.876 0.846 . . . . 1.46 108.741 173.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 30.1 mmtp -67.79 -29.2 68.33 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.488 -1.233 . . . . 1.98 110.508 -176.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 66.0 p -55.41 -32.46 62.68 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.519 -0.764 . . . . 1.26 111.049 176.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 556' ' ' THR . . . . . 0.499 ' O ' ' HG3' ' A' ' 558' ' ' GLN . 71.2 p -104.83 4.41 32.12 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.332 -0.394 . . . . 1.41 111.307 -179.313 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 18.2 m120 57.11 41.31 27.48 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 115.492 -0.776 . . . . 2.35 111.147 -176.136 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 558' ' ' GLN . . . . . 0.499 ' HG3' ' O ' ' A' ' 556' ' ' THR . 75.2 mt-30 -139.48 149.88 44.5 Favored 'General case' 0 N--CA 1.443 -0.819 0 CA-C-O 121.122 0.486 . . . . 2.3 111.184 -175.026 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -130.68 145.94 52.04 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.732 -0.667 . . . . 1.06 110.534 178.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 560' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 -116.45 125.25 51.72 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 109.037 -0.727 . . . . 0.45 109.037 175.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 561' ' ' LEU . . . . . 0.423 HD23 ' HE1' ' A' ' 563' ' ' MET . 14.8 tp -122.55 121.76 37.28 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 116.226 -0.443 . . . . 1.06 109.877 -173.315 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 562' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -99.64 137.82 37.59 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.732 0.301 . . . . 1.85 110.624 -174.605 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 563' ' ' MET . . . . . 0.696 ' HE2' ' SD ' ' A' ' 572' ' ' MET . 17.5 mmt -113.75 145.02 42.0 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.929 -0.578 . . . . 1.16 111.266 -174.436 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -64.78 -21.57 66.8 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.029 -0.987 . . . . 1.13 112.179 -176.159 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 565' ' ' TYR . . . . . 0.468 ' OH ' ' HB3' ' A' ' 616' ' ' HIS . 34.2 m-85 -134.23 145.03 48.78 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.057 -0.519 . . . . 1.44 110.371 -176.559 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 5.9 t -63.11 -36.99 85.45 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.458 -0.792 . . . . 1.18 109.988 174.441 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -66.87 -37.49 84.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.085 -0.507 . . . . 1.91 111.021 175.608 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 568' ' ' ALA . . . . . 0.523 ' HB2' ' CA ' ' A' ' 545' ' ' GLY . . . -61.8 -46.09 91.03 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.063 -0.517 . . . . 1.07 110.404 -177.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -67.98 -45.81 73.11 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.627 -0.715 . . . . 1.06 111.56 -179.446 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 570' ' ' GLN . . . . . 0.492 ' O ' ' HG2' ' A' ' 574' ' ' GLN . 49.9 mt-30 -68.16 -45.84 72.41 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.476 -0.329 . . . . 1.35 111.541 -177.19 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -62.34 -42.96 99.81 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.66 -0.246 . . . . 1.09 111.223 -176.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 572' ' ' MET . . . . . 0.696 ' SD ' ' HE2' ' A' ' 563' ' ' MET . 14.4 ptp -64.49 -45.15 88.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.39 -0.368 . . . . 1.11 110.23 -179.577 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 573' ' ' VAL . . . . . 0.523 ' CG1' ' HA ' ' A' ' 591' ' ' ARG . 61.6 t -66.91 -37.82 80.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 116.108 -0.497 . . . . 1.05 111.555 -176.816 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 574' ' ' GLN . . . . . 0.492 ' HG2' ' O ' ' A' ' 570' ' ' GLN . 83.4 mm-40 -59.44 -37.17 77.43 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.606 -0.516 . . . . 2.38 109.606 177.569 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 59.3 t80 -69.41 -50.14 48.7 Favored 'General case' 0 C--O 1.219 -0.521 0 CA-C-N 116.113 -0.494 . . . . 0.99 111.041 173.654 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 576' ' ' TYR . . . . . 0.445 ' CB ' ' HB ' ' A' ' 590' ' ' ILE . 19.8 m-85 -74.26 -16.76 60.94 Favored 'General case' 0 C--O 1.222 -0.378 0 N-CA-C 113.001 0.741 . . . . 0.38 113.001 -171.762 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 90.8 mt-30 -75.79 -28.92 58.57 Favored 'General case' 0 C--N 1.317 -0.822 0 C-N-CA 120.042 -0.663 . . . . 1.86 110.756 173.629 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -97.62 -38.31 9.58 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.041 0.448 . . . . 2.07 111.236 177.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 26.8 mmmt -129.47 81.46 69.9 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-O 121.265 0.555 . . . . 2.57 110.167 174.453 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -69.71 159.4 53.58 Favored 'Trans proline' 0 C--O 1.235 0.341 0 C-N-CA 123.532 2.822 . . . . 0.21 112.632 -176.228 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -92.76 147.6 22.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.972 -0.558 . . . . 1.02 110.553 -175.608 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 582' ' ' ILE . . . . . 0.417 HG12 ' HG2' ' A' ' 587' ' ' LYS . 54.3 mt -116.19 131.76 67.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 116.115 -0.493 . . . . 1.16 111.556 -170.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 583' ' ' ILE . . . . . . . . . . . . . 47.5 mt -121.23 117.33 52.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.149 -0.478 . . . . 1.42 110.131 172.482 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 584' ' ' ASN . . . . . 0.45 HD21 ' HB3' ' A' ' 531' ' ' SER . 93.7 m-20 54.98 42.27 31.19 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.864 -0.607 . . . . 1.7 111.798 176.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 84.86 -2.64 88.09 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.708 -0.758 . . . . 0.69 113.205 176.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 -101.13 125.64 47.76 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.698 -0.482 . . . . 1.93 109.698 179.361 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 587' ' ' LYS . . . . . 0.417 ' HG2' HG12 ' A' ' 582' ' ' ILE . 53.3 mtpt -86.48 110.13 19.55 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.779 -0.452 . . . . 2.64 109.779 179.534 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 588' ' ' LEU . . . . . 0.416 HD11 ' CD1' ' A' ' 540' ' ' LEU . 41.0 mt -84.9 125.44 32.64 Favored 'General case' 0 CA--C 1.504 -0.812 0 N-CA-C 109.706 -0.479 . . . . 1.09 109.706 179.579 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 55.8 tp -82.33 107.86 15.32 Favored 'General case' 0 N--CA 1.434 -1.24 0 N-CA-C 107.768 -1.197 . . . . 1.1 107.768 172.087 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 590' ' ' ILE . . . . . 0.445 ' HB ' ' CB ' ' A' ' 576' ' ' TYR . 64.9 mt -95.42 115.07 33.45 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.908 0 N-CA-C 108.081 -1.081 . . . . 1.04 108.081 179.018 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 591' ' ' ARG . . . . . 0.523 ' HA ' ' CG1' ' A' ' 573' ' ' VAL . 14.8 ptt180 -141.95 162.24 35.98 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.022 0.439 . . . . 3.66 112.029 -171.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 592' ' ' MET . . . . . 0.447 ' HG2' HG12 ' A' ' 573' ' ' VAL . 0.1 OUTLIER -65.93 132.84 49.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.72 -0.673 . . . . 1.06 110.283 -176.804 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 32.1 t -80.93 127.11 32.2 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.022 0.439 . . . . 1.57 110.55 -178.427 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 8.8 t -97.63 5.7 49.03 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.53 0.681 . . . . 2.17 109.547 174.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 92.0 mtt180 -96.63 -41.15 8.66 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.639 -0.709 . . . . 3.39 110.165 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 596' ' ' TYR . . . . . 0.421 ' O ' ' HB ' ' A' ' 521' ' ' VAL . 33.4 m-85 -131.93 134.47 45.69 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.078 -0.51 . . . . 1.27 110.304 179.601 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 597' ' ' LYS . . . . . 0.43 ' O ' ' HA ' ' A' ' 520' ' ' ARG . 18.8 ptpt -90.54 -27.21 19.32 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.355 -0.609 . . . . 3.84 109.355 172.293 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -149.44 150.92 33.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.385 -0.825 . . . . 2.02 109.893 177.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 599' ' ' LEU . . . . . . . . . . . . . 96.1 mt -93.26 145.28 24.56 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.096 -0.502 . . . . 1.09 109.877 179.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -121.49 78.18 1.41 Allowed 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.193 0.521 . . . . 3.46 109.933 178.271 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 54.2 mt -74.66 143.28 44.34 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.578 -0.737 . . . . 1.47 110.929 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 26.7 tptp -86.76 -6.93 58.68 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 108.687 -0.857 . . . . 5.81 108.687 175.103 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -123.34 101.9 37.21 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 114.988 -1.005 . . . . 6.08 109.919 177.47 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 604' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -72.59 89.67 0.83 Allowed 'Trans proline' 0 N--CA 1.462 -0.352 0 C-N-CA 122.454 2.103 . . . . 6.24 112.072 -179.658 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 605' ' ' GLY . . . . . . . . . . . . . . . -85.09 42.43 3.15 Favored Glycine 0 N--CA 1.449 -0.438 0 CA-C-N 115.922 -0.581 . . . . 6.9 112.917 -177.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . 0.408 ' HD3' ' HA ' ' A' ' 606' ' ' LYS . 39.5 mmtm -140.29 51.72 1.67 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.321 0.581 . . . . 9.18 110.475 176.064 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -134.59 17.8 3.61 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.31 -0.859 . . . . 9.69 110.141 177.158 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 61.6 t -126.96 -54.71 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.854 -0.612 . . . . 9.96 111.14 -178.202 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -100.69 106.34 17.78 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 111.899 0.333 . . . . 9.72 111.899 -173.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . 61.24 94.17 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.214 -0.903 . . . . 9.52 112.516 175.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 37.1 mm -101.46 93.11 2.66 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 CA-C-N 115.438 -0.801 . . . . 8.52 109.515 179.291 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 612' ' ' ILE . . . . . . . . . . . . . 46.2 mt -98.64 86.35 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.942 -0.572 . . . . 9.1 111.105 -174.141 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 64.8 mt-30 -95.3 -25.4 16.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.299 -0.41 . . . . 10.72 110.022 174.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -56.61 -47.47 79.57 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 115.684 -0.689 . . . . 10.41 110.764 -178.675 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 615' ' ' ILE . . . . . 0.552 HD12 ' O ' ' A' ' 618' ' ' GLN . 0.2 OUTLIER -138.85 -157.66 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.527 -0.76 . . . . 8.92 109.093 -179.303 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 616' ' ' HIS . . . . . 0.468 ' HB3' ' OH ' ' A' ' 565' ' ' TYR . 51.6 m80 -82.71 -65.01 1.06 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 117.72 0.236 . . . . 7.47 110.77 -179.722 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 52.7 p -158.85 61.83 0.42 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.035 0.445 . . . . 6.99 111.645 179.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 618' ' ' GLN . . . . . 0.552 ' O ' HD12 ' A' ' 615' ' ' ILE . 26.7 mt-30 -132.46 141.76 48.95 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.844 -0.428 . . . . 9.92 109.844 177.056 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 53.02 74.28 0.31 Allowed 'General case' 0 C--O 1.236 0.389 0 O-C-N 123.584 0.553 . . . . 13.6 110.758 178.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 620' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -84.8 -178.29 6.81 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.167 -0.47 . . . . 11.34 111.265 -175.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 78.6 mtp180 . . . . . 0 C--O 1.249 1.074 0 CA-C-N 115.493 -0.776 . . . . 11.92 110.796 179.117 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 510' ' ' GLY . . . . . 0.481 ' HA3' ' O ' ' A' ' 603' ' ' LYS . . . . . . . . 0 N--CA 1.481 1.634 0 N-CA-C 111.887 -0.485 . . . . 7.0 111.887 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 511' ' ' ALA . . . . . 0.434 ' HB1' ' H ' ' A' ' 606' ' ' LYS . . . -93.24 89.7 6.52 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.144 0.497 . . . . 5.89 111.172 -177.466 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 24.1 ttt -137.9 24.57 2.82 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.728 0.775 . . . . 6.52 109.303 175.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 513' ' ' ALA . . . . . 0.572 ' HB2' ' ND2' ' A' ' 549' ' ' ASN . . . -159.39 131.43 6.46 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.274 -0.875 . . . . 2.69 110.158 -179.658 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 514' ' ' GLN . . . . . 0.511 ' C ' ' H ' ' A' ' 516' ' ' LYS . 12.6 mm100 -89.36 -24.74 21.88 Favored 'General case' 0 CA--C 1.512 -0.496 0 N-CA-C 109.426 -0.583 . . . . 5.85 109.426 174.393 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 515' ' ' ARG . . . . . 0.461 ' HB2' ' O ' ' A' ' 514' ' ' GLN . 62.4 mtm180 75.81 -24.96 0.21 Allowed 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 114.97 -1.014 . . . . 7.19 111.229 -178.121 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 516' ' ' LYS . . . . . 0.511 ' H ' ' C ' ' A' ' 514' ' ' GLN . 41.7 mmtm 71.58 39.59 0.87 Allowed 'General case' 0 CA--C 1.513 -0.457 0 CA-C-N 114.9 -1.045 . . . . 5.61 109.269 178.675 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 517' ' ' GLY . . . . . 0.43 ' HA3' ' CD2' ' A' ' 616' ' ' HIS . . . 72.0 17.37 77.03 Favored Glycine 0 N--CA 1.445 -0.751 0 CA-C-N 114.954 -1.021 . . . . 3.59 112.085 -177.405 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 518' ' ' ALA . . . . . . . . . . . . . . . -152.5 -89.3 0.06 Allowed 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 111.824 0.305 . . . . 2.73 111.824 -178.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 81.72 115.87 0.42 Allowed Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.954 -0.641 . . . . 2.08 112.149 -176.101 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 57.8 mtt-85 -138.81 151.73 47.28 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.69 0.281 . . . . 3.0 110.454 177.364 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 94.7 t -117.22 133.33 64.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 121.375 0.607 . . . . 1.08 111.086 -179.232 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 522' ' ' VAL . . . . . . . . . . . . . 96.8 t -106.85 134.72 47.68 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 CA-C-N 115.352 -0.84 . . . . 1.07 109.452 174.279 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 523' ' ' HIS . . . . . 0.499 ' HA ' ' O ' ' A' ' 559' ' ' ALA . 5.8 p-80 -110.14 134.26 52.38 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.259 0.552 . . . . 2.21 110.101 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 524' ' ' ILE . . . . . 0.404 HD11 HG12 ' A' ' 537' ' ' VAL . 97.2 mt -111.06 137.05 45.18 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-N 115.59 -0.732 . . . . 1.06 110.779 -176.154 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 62.3 m -117.8 175.13 5.8 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.016 -0.538 . . . . 2.22 111.234 -175.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 17.5 m120 68.87 26.29 5.92 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.31 -0.859 . . . . 1.74 111.098 176.55 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 79.2 mt -87.9 119.42 70.49 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 116.152 -0.476 . . . . 1.09 111.423 -176.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 528' ' ' PRO . . . . . 0.522 ' HD2' ' SG ' ' A' ' 532' ' ' CYS . 36.7 Cg_endo -69.69 130.09 18.8 Favored 'Trans proline' 0 N--CA 1.46 -0.499 0 C-N-CA 121.7 1.6 . . . . 0.88 111.453 172.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -69.71 139.17 53.38 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.172 -0.467 . . . . 2.98 111.031 177.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 80.47 -17.95 9.5 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 121.019 -0.61 . . . . 0.97 113.647 175.392 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 14.0 t -98.72 -34.23 10.61 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.936 0.398 . . . . 1.63 110.698 -178.139 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 532' ' ' CYS . . . . . 0.522 ' SG ' ' HD2' ' A' ' 528' ' ' PRO . 59.3 m -80.35 142.09 34.78 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.35 -0.386 . . . . 1.73 110.217 178.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 52.7 p -105.42 165.91 10.8 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.862 -0.422 . . . . 1.27 109.862 176.544 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -62.93 -36.89 84.9 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.066 0.46 . . . . 1.32 109.785 177.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -62.33 -44.13 97.22 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.472 -0.786 . . . . 2.62 111.865 179.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 536' ' ' ASP . . . . . 0.523 ' O ' ' HG ' ' A' ' 540' ' ' LEU . 65.2 m-20 -61.53 -48.08 82.67 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 120.773 0.321 . . . . 0.52 111.489 -173.534 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 537' ' ' VAL . . . . . 0.404 HG12 HD11 ' A' ' 524' ' ' ILE . 86.1 t -65.0 -42.14 93.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.992 -0.549 . . . . 1.07 110.967 -176.047 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 83.2 mt -66.17 -43.75 91.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 121.23 0.538 . . . . 1.07 110.123 177.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 539' ' ' ASN . . . . . 0.452 ' O ' ' HD3' ' A' ' 543' ' ' PRO . 76.4 m-20 -62.71 -26.14 68.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.485 -0.779 . . . . 1.74 112.11 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 540' ' ' LEU . . . . . 0.523 ' HG ' ' O ' ' A' ' 536' ' ' ASP . 29.8 mt -69.91 -39.55 76.12 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.902 -0.319 . . . . 1.08 111.655 177.039 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -77.14 -41.14 22.74 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.306 -0.949 . . . . 0.26 112.449 -177.128 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 542' ' ' LEU . . . . . 0.46 ' HA ' ' O ' ' A' ' 545' ' ' GLY . 69.4 mt -48.36 -44.5 64.33 Favored Pre-proline 0 CA--C 1.549 0.906 0 N-CA-C 115.114 1.524 . . . . 1.11 115.114 -173.443 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 543' ' ' PRO . . . . . 0.452 ' HD3' ' O ' ' A' ' 539' ' ' ASN . 75.8 Cg_exo -51.16 -34.47 48.24 Favored 'Trans proline' 0 C--N 1.359 1.103 0 C-N-CA 122.558 2.172 . . . . 0.22 115.77 -173.017 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 544' ' ' PHE . . . . . 0.464 ' HB2' ' CB ' ' A' ' 572' ' ' MET . 96.1 m-85 -111.1 -18.41 13.02 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.038 -0.665 . . . . 0.42 112.379 177.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 545' ' ' GLY . . . . . 0.501 ' CA ' ' HB1' ' A' ' 568' ' ' ALA . . . -148.81 136.99 6.1 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.779 -0.724 . . . . 1.14 112.952 178.032 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 23.6 tptm -69.09 143.36 54.22 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.744 0.307 . . . . 2.18 111.143 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 88.9 t -105.07 135.22 44.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.83 -0.623 . . . . 1.06 110.907 -179.102 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 28.4 p -104.69 -40.24 6.06 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.982 -0.554 . . . . 1.05 112.046 178.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 549' ' ' ASN . . . . . 0.572 ' ND2' ' HB2' ' A' ' 513' ' ' ALA . 67.6 m-80 -150.1 167.06 27.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.379 -0.373 . . . . 1.46 110.144 -178.064 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 38.9 p90 -148.82 150.48 33.1 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.883 0.373 . . . . 0.99 111.152 179.4 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 29.2 mt -134.24 121.49 37.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 108.596 -0.89 . . . . 1.19 108.596 170.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 552' ' ' LEU . . . . . . . . . . . . . 83.0 mt -112.55 110.07 20.01 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 116.332 -0.395 . . . . 1.21 111.608 -174.413 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 63.8 mtt -109.72 82.41 1.59 Allowed 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.891 -0.781 . . . . 1.46 108.891 171.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 40.2 mttp -69.69 -30.69 68.4 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.425 -0.807 . . . . 1.98 110.903 -171.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 64.5 p -65.21 -22.57 66.91 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.796 -0.638 . . . . 1.26 111.602 -179.223 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 66.4 p -99.48 9.97 42.25 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 111.802 0.297 . . . . 1.41 111.802 178.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 56.87 41.79 27.41 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 121.507 0.67 . . . . 2.35 110.19 -178.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 21.4 mm-40 -146.69 149.37 33.32 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.91 -0.586 . . . . 2.3 110.425 -175.31 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 559' ' ' ALA . . . . . 0.499 ' O ' ' HA ' ' A' ' 523' ' ' HIS . . . -139.39 143.93 37.92 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 116.175 -0.466 . . . . 1.06 109.95 174.237 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 560' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -118.5 125.79 50.63 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 109.468 -0.567 . . . . 0.45 109.468 178.251 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 15.8 tp -125.75 131.21 52.56 Favored 'General case' 0 C--N 1.314 -0.952 0 N-CA-C 109.322 -0.621 . . . . 1.06 109.322 -175.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 562' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -100.48 134.08 43.96 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.887 0.375 . . . . 1.85 110.453 -176.519 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 563' ' ' MET . . . . . 0.788 ' HE2' ' SD ' ' A' ' 572' ' ' MET . 1.1 mpt? -109.55 139.61 44.35 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 121.505 0.669 . . . . 1.16 110.95 -177.829 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 564' ' ' ALA . . . . . 0.508 ' O ' ' HB2' ' A' ' 516' ' ' LYS . . . -60.97 -41.18 95.88 Favored 'General case' 0 C--O 1.22 -0.458 0 CA-C-N 114.139 -1.391 . . . . 1.13 111.93 -175.208 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 66.1 m-85 -115.22 147.13 40.73 Favored 'General case' 0 C--N 1.317 -0.827 0 C-N-CA 120.818 -0.353 . . . . 1.44 110.478 -175.706 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 6.2 t -58.39 -39.23 79.09 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.872 -0.604 . . . . 1.18 110.636 176.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -67.54 -33.61 75.4 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-N 116.091 -0.504 . . . . 1.91 111.198 177.172 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 568' ' ' ALA . . . . . 0.501 ' HB1' ' CA ' ' A' ' 545' ' ' GLY . . . -62.17 -46.05 90.68 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.206 -0.452 . . . . 1.07 110.764 -175.503 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . 0.422 ' HB1' ' HB2' ' A' ' 563' ' ' MET . . . -68.31 -47.23 68.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 1.06 111.584 -178.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 570' ' ' GLN . . . . . 0.565 ' O ' ' HG2' ' A' ' 574' ' ' GLN . 48.7 mt-30 -69.35 -45.65 68.91 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.139 -0.482 . . . . 1.35 111.588 -175.127 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -62.25 -44.14 97.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.341 -0.39 . . . . 1.09 111.431 -176.406 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 572' ' ' MET . . . . . 0.788 ' SD ' ' HE2' ' A' ' 563' ' ' MET . 14.0 ptp -63.37 -44.46 94.73 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.848 0.356 . . . . 1.11 110.463 -178.454 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 573' ' ' VAL . . . . . 0.481 ' CG1' ' HA ' ' A' ' 591' ' ' ARG . 70.0 t -67.27 -37.61 79.42 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.58 0 CA-C-N 116.313 -0.403 . . . . 1.05 111.762 -175.601 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 574' ' ' GLN . . . . . 0.565 ' HG2' ' O ' ' A' ' 570' ' ' GLN . 23.8 mm-40 -60.21 -35.84 76.32 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.401 -0.592 . . . . 2.38 109.401 178.02 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -67.7 -50.04 59.58 Favored 'General case' 0 C--O 1.217 -0.638 0 CA-C-N 115.736 -0.666 . . . . 0.99 110.607 172.421 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 576' ' ' TYR . . . . . 0.485 ' CB ' ' HB ' ' A' ' 590' ' ' ILE . 29.7 m-85 -74.14 -16.56 61.0 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 113.038 0.755 . . . . 0.38 113.038 -173.146 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 577' ' ' GLN . . . . . 0.467 ' NE2' ' HB3' ' A' ' 591' ' ' ARG . 25.5 mm-40 -75.3 -30.3 60.33 Favored 'General case' 0 C--N 1.317 -0.806 0 O-C-N 121.905 -0.497 . . . . 1.86 110.546 174.74 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 -97.83 -39.31 9.08 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.117 0.484 . . . . 2.07 110.731 178.013 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 26.6 mtpp -128.65 82.47 68.59 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 115.674 -0.693 . . . . 2.57 109.932 176.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -70.49 160.16 50.45 Favored 'Trans proline' 0 CA--C 1.532 0.39 0 C-N-CA 123.599 2.866 . . . . 0.21 112.696 -176.178 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -92.51 153.27 19.18 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.203 -0.453 . . . . 1.02 110.803 -173.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 67.2 mt -112.67 127.84 69.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 112.648 0.61 . . . . 1.16 112.648 -170.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 583' ' ' ILE . . . . . 0.437 HD11 HD12 ' A' ' 588' ' ' LEU . 17.9 mt -123.64 129.68 74.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.552 -0.749 . . . . 1.42 110.303 171.154 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 13.8 m120 59.11 33.84 23.05 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 116.032 -0.531 . . . . 1.7 111.093 177.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 76.82 8.83 86.65 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.885 -0.674 . . . . 0.69 112.906 179.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -117.36 130.87 56.79 Favored 'General case' 0 N--CA 1.441 -0.881 0 CA-C-O 120.859 0.362 . . . . 1.93 110.682 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -75.62 119.82 20.18 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.058 -0.519 . . . . 2.64 110.54 178.644 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 588' ' ' LEU . . . . . 0.437 HD12 HD11 ' A' ' 583' ' ' ILE . 52.6 mt -93.72 135.63 34.83 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.992 -0.549 . . . . 1.09 110.004 178.391 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 28.3 tp -84.73 108.91 17.67 Favored 'General case' 0 C--N 1.313 -1.006 0 N-CA-C 109.126 -0.694 . . . . 1.1 109.126 175.623 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 590' ' ' ILE . . . . . 0.485 ' HB ' ' CB ' ' A' ' 576' ' ' TYR . 44.5 mt -97.56 115.97 38.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 108.444 -0.947 . . . . 1.04 108.444 179.092 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 591' ' ' ARG . . . . . 0.481 ' HA ' ' CG1' ' A' ' 573' ' ' VAL . 20.1 ptt180 -140.89 160.36 40.23 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.862 0.69 . . . . 3.66 112.862 -172.823 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 592' ' ' MET . . . . . 0.448 ' HG2' HG13 ' A' ' 573' ' ' VAL . 0.1 OUTLIER -63.39 135.03 56.7 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.399 -0.818 . . . . 1.06 110.384 -175.275 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 593' ' ' SER . . . . . 0.419 ' HA ' ' HD1' ' A' ' 523' ' ' HIS . 15.7 t -88.25 128.39 35.47 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.92 0.39 . . . . 1.57 110.568 178.039 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 7.1 m -98.63 -20.94 16.71 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.895 -0.593 . . . . 2.17 109.701 175.191 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -74.45 -34.39 63.17 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 115.533 -0.758 . . . . 3.39 111.121 -177.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -120.49 134.1 55.32 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.992 0.425 . . . . 1.27 110.714 176.506 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -90.5 -39.87 12.33 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.75 -0.659 . . . . 3.84 109.309 173.577 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -147.44 149.86 33.52 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.031 -0.986 . . . . 2.02 109.21 178.705 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 599' ' ' LEU . . . . . . . . . . . . . 94.0 mt -93.81 104.03 16.13 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.26 0.553 . . . . 1.09 110.334 179.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -98.67 89.81 4.5 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 115.474 -0.785 . . . . 3.46 109.91 -178.091 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 81.6 mt -65.55 157.56 29.4 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.287 -0.869 . . . . 1.47 110.178 -179.461 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 11.9 mptt -86.98 32.27 0.68 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.665 0.745 . . . . 5.81 110.741 -176.215 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 603' ' ' LYS . . . . . 0.481 ' O ' ' HA3' ' A' ' 510' ' ' GLY . 31.8 mmmt -104.65 115.23 63.06 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-N 114.752 -1.113 . . . . 6.08 108.506 175.047 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 604' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -57.43 -40.7 79.22 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 123.275 2.65 . . . . 6.24 113.269 -173.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 605' ' ' GLY . . . . . . . . . . . . . . . 61.73 -113.2 5.49 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 121.091 -0.576 . . . . 6.9 112.396 179.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . 0.434 ' H ' ' HB1' ' A' ' 511' ' ' ALA . 34.8 mmtp 70.45 -60.35 0.5 Allowed 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.647 0.779 . . . . 9.18 111.529 178.149 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -65.77 -28.04 68.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.135 0.493 . . . . 9.69 110.27 178.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 38.3 t -88.94 -75.01 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.573 -0.739 . . . . 9.96 109.912 176.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -96.9 113.11 24.63 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.761 -0.654 . . . . 9.72 110.071 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -76.62 137.58 39.56 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.71 -0.677 . . . . 9.52 110.573 178.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 40.1 mm -61.76 96.35 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.8 -0.636 . . . . 8.52 110.767 177.039 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 612' ' ' ILE . . . . . . . . . . . . . 65.5 mt -113.74 101.2 12.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 109.283 -0.636 . . . . 9.1 109.283 176.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -96.4 -32.09 12.52 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.102 -0.499 . . . . 10.72 112.099 -173.308 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -79.57 -53.6 6.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.024 0.44 . . . . 10.41 110.671 -178.315 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 615' ' ' ILE . . . . . . . . . . . . . 38.9 mt -90.79 157.06 2.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.639 -0.71 . . . . 8.92 109.844 -177.051 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 616' ' ' HIS . . . . . 0.43 ' CD2' ' HA3' ' A' ' 517' ' ' GLY . 27.0 m170 -68.08 -76.41 0.09 Allowed 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 121.039 -0.264 . . . . 7.47 110.506 -179.474 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 47.0 m -157.11 6.58 0.16 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.49 -0.323 . . . . 6.99 111.036 175.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 618' ' ' GLN . . . . . 0.423 ' OE1' ' HB2' ' A' ' 616' ' ' HIS . 22.6 mp0 -64.11 -67.56 0.42 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.727 0.299 . . . . 9.92 110.876 -177.089 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 91.5 mtt180 -83.31 75.38 9.97 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.067 0.461 . . . . 13.6 109.977 179.343 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 620' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -70.73 145.21 50.63 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.72 -0.673 . . . . 11.34 110.254 179.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 621' ' ' ARG . . . . . 0.476 ' HE ' ' HA ' ' A' ' 621' ' ' ARG . 1.5 mmp_? . . . . . 0 C--O 1.247 0.943 0 CA-C-O 118.483 -0.77 . . . . 11.92 110.09 -177.301 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.736 0 N-CA-C 111.662 -0.575 . . . . 7.0 111.662 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . -133.73 123.98 25.87 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.841 0.353 . . . . 5.89 110.856 -179.118 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 66.3 mtt -103.75 -59.14 1.77 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.163 0.506 . . . . 6.52 109.706 176.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -157.57 -165.92 1.89 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.54 -0.755 . . . . 2.69 109.981 179.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 514' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 55.59 75.7 0.31 Allowed 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 121.392 0.615 . . . . 5.85 109.599 -177.574 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 34.7 mmt180 -70.22 -41.16 73.97 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.0 -1.0 . . . . 7.19 111.895 -170.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 50.9 mtpt -103.99 146.38 28.78 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.297 -0.41 . . . . 5.61 110.538 177.478 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -77.69 61.52 3.63 Favored Glycine 0 N--CA 1.452 -0.276 0 CA-C-N 115.947 -0.57 . . . . 3.59 112.681 -175.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 518' ' ' ALA . . . . . . . . . . . . . . . -158.76 -86.53 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.651 -0.5 . . . . 2.73 109.651 179.018 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 71.72 155.83 2.35 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 121.269 -0.491 . . . . 2.08 113.235 176.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 59.0 mtp180 -146.63 149.17 32.98 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.365 -0.606 . . . . 3.0 109.365 174.12 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 76.6 t -98.11 136.05 30.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 121.026 0.441 . . . . 1.08 110.056 178.099 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 522' ' ' VAL . . . . . 0.417 HG22 ' HE3' ' A' ' 592' ' ' MET . 48.1 t -101.61 134.05 43.19 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.047 0 N-CA-C 109.136 -0.69 . . . . 1.07 109.136 177.138 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 3.7 p-80 -111.26 139.58 46.53 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 120.545 -0.462 . . . . 2.21 109.801 -178.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 524' ' ' ILE . . . . . 0.415 HD11 HG12 ' A' ' 537' ' ' VAL . 90.2 mt -115.59 127.84 73.03 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.976 0 CA-C-N 115.775 -0.648 . . . . 1.06 110.178 -179.817 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 6.3 p -115.9 175.27 5.61 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.716 -0.675 . . . . 2.22 110.366 -178.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 40.2 m-80 69.17 27.97 5.08 Favored 'General case' 0 N--CA 1.466 0.367 0 O-C-N 123.707 0.629 . . . . 1.74 110.796 -178.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 80.4 mt -86.71 122.15 71.72 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 115.997 -0.547 . . . . 1.09 111.437 -177.083 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 528' ' ' PRO . . . . . 0.443 ' HD2' ' SG ' ' A' ' 532' ' ' CYS . 40.9 Cg_endo -69.38 130.75 20.37 Favored 'Trans proline' 0 N--CA 1.46 -0.481 0 C-N-CA 122.195 1.93 . . . . 0.88 112.093 173.543 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 529' ' ' GLU . . . . . 0.449 ' HG3' ' ND2' ' A' ' 557' ' ' ASN . 35.9 mt-10 -68.62 125.59 27.01 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.047 -0.524 . . . . 2.98 111.028 176.657 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 92.32 -18.37 54.61 Favored Glycine 0 N--CA 1.45 -0.415 0 CA-C-N 116.02 -0.536 . . . . 0.97 113.619 174.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 17.4 m -94.84 -35.34 12.11 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 117.42 0.61 . . . . 1.63 111.329 -177.2 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 532' ' ' CYS . . . . . 0.443 ' SG ' ' HD2' ' A' ' 528' ' ' PRO . 84.5 m -86.03 133.3 33.91 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.727 0.299 . . . . 1.73 110.827 179.026 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 44.0 p -105.66 170.54 7.83 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 109.844 -0.428 . . . . 1.27 109.844 176.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -56.41 -46.62 80.09 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.892 0.377 . . . . 1.32 110.457 179.385 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -59.8 -44.06 94.16 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.646 -0.706 . . . . 2.62 111.622 -176.629 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 536' ' ' ASP . . . . . 0.565 ' O ' ' HG ' ' A' ' 540' ' ' LEU . 39.8 m-20 -60.05 -47.61 85.13 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-O 120.789 0.328 . . . . 0.52 110.967 -176.17 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 537' ' ' VAL . . . . . 0.415 HG12 HD11 ' A' ' 524' ' ' ILE . 60.1 t -66.56 -45.01 89.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.677 -0.692 . . . . 1.07 110.857 -176.225 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 85.6 mt -65.29 -41.97 92.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.156 -0.475 . . . . 1.07 110.67 179.101 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 539' ' ' ASN . . . . . 0.522 ' O ' ' HD3' ' A' ' 543' ' ' PRO . 8.5 m120 -62.57 -28.01 69.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.903 -0.59 . . . . 1.74 111.752 179.473 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 540' ' ' LEU . . . . . 0.565 ' HG ' ' O ' ' A' ' 536' ' ' ASP . 25.2 mt -68.31 -39.4 82.04 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 111.991 0.367 . . . . 1.08 111.991 -179.43 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -78.45 -35.13 33.88 Favored Glycine 0 N--CA 1.453 -0.197 0 C-N-CA 120.288 -0.958 . . . . 0.26 112.579 -177.253 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 542' ' ' LEU . . . . . . . . . . . . . 39.8 mt -50.36 -47.73 82.47 Favored Pre-proline 0 CA--C 1.548 0.882 0 N-CA-C 115.352 1.612 . . . . 1.11 115.352 -174.098 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 543' ' ' PRO . . . . . 0.522 ' HD3' ' O ' ' A' ' 539' ' ' ASN . 86.0 Cg_exo -51.11 -33.18 42.49 Favored 'Trans proline' 0 C--N 1.357 0.986 0 C-N-CA 122.463 2.109 . . . . 0.22 116.555 -168.671 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 59.4 m-85 -109.2 -18.27 13.66 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 118.878 0.763 . . . . 0.42 112.878 -179.164 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 545' ' ' GLY . . . . . 0.462 ' HA3' ' CE ' ' A' ' 572' ' ' MET . . . -125.04 -142.34 5.84 Favored Glycine 0 C--N 1.318 -0.443 0 C-N-CA 121.207 -0.52 . . . . 1.14 112.657 176.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 546' ' ' LYS . . . . . 0.409 ' O ' ' HA ' ' A' ' 563' ' ' MET . 56.0 tptt -152.77 129.85 11.12 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.624 -0.288 . . . . 2.18 110.475 174.106 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 95.4 t -91.61 135.01 28.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.978 -0.556 . . . . 1.06 111.706 -176.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 27.6 p -108.91 -41.03 4.85 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.954 -0.566 . . . . 1.05 112.289 175.468 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 66.5 m-80 -148.0 166.33 28.04 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.767 -0.457 . . . . 1.46 109.767 -177.156 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 28.1 p90 -148.44 150.82 34.15 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.935 0.398 . . . . 0.99 111.408 -179.053 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 29.1 mt -134.23 121.85 38.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 108.784 -0.821 . . . . 1.19 108.784 171.053 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 552' ' ' LEU . . . . . . . . . . . . . 79.8 mt -112.95 110.38 20.41 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.226 -0.443 . . . . 1.21 111.396 -175.434 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 65.2 mtt -107.37 83.22 1.78 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.598 0.713 . . . . 1.46 109.105 175.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -69.97 -29.66 66.83 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.102 -0.954 . . . . 1.98 110.735 -177.409 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 67.8 p -59.4 -27.13 65.73 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.204 -0.453 . . . . 1.26 111.37 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 556' ' ' THR . . . . . 0.464 ' O ' ' HG2' ' A' ' 558' ' ' GLN . 69.9 p -106.65 11.63 30.19 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.471 -0.331 . . . . 1.41 111.129 178.81 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 557' ' ' ASN . . . . . 0.449 ' ND2' ' HG3' ' A' ' 529' ' ' GLU . 15.8 m120 57.04 41.34 27.66 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 115.743 -0.662 . . . . 2.35 110.898 -177.542 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 558' ' ' GLN . . . . . 0.464 ' HG2' ' O ' ' A' ' 556' ' ' THR . 12.5 mm100 -137.1 157.05 47.57 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.168 0.509 . . . . 2.3 111.625 -172.367 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -143.67 145.6 32.57 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.976 -0.556 . . . . 1.06 110.647 176.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 560' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -128.41 128.29 44.19 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.847 -0.615 . . . . 0.45 109.418 178.149 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 14.2 tp -126.33 128.49 47.17 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.34 -0.391 . . . . 1.06 110.278 -173.547 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 562' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -99.87 138.0 37.56 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-O 120.735 0.303 . . . . 1.85 110.435 -175.172 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 563' ' ' MET . . . . . 0.71 ' HE3' ' SD ' ' A' ' 572' ' ' MET . 19.8 mmt -114.24 144.33 43.39 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.963 -0.562 . . . . 1.16 111.261 -174.571 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -64.42 -26.75 68.59 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-N 115.139 -0.937 . . . . 1.13 111.735 -177.408 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 565' ' ' TYR . . . . . 0.433 ' HB3' ' OE2' ' A' ' 567' ' ' GLU . 75.0 m-85 -132.41 138.49 47.69 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.547 -0.752 . . . . 1.44 109.095 -177.87 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 566' ' ' THR . . . . . 0.563 ' O ' ' HG3' ' A' ' 570' ' ' GLN . 7.1 t -66.03 -37.48 85.98 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.042 -0.526 . . . . 1.18 109.785 179.066 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 567' ' ' GLU . . . . . 0.433 ' OE2' ' HB3' ' A' ' 565' ' ' TYR . 1.4 pm0 -66.88 -33.02 74.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.115 -0.493 . . . . 1.91 110.643 176.3 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 568' ' ' ALA . . . . . . . . . . . . . . . -64.03 -42.49 97.06 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.089 0.471 . . . . 1.07 109.886 176.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -67.44 -45.76 75.1 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.667 -0.697 . . . . 1.06 111.029 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 570' ' ' GLN . . . . . 0.563 ' HG3' ' O ' ' A' ' 566' ' ' THR . 72.0 mt-30 -65.29 -45.61 83.72 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.306 -0.406 . . . . 1.35 110.789 -178.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -62.3 -45.58 92.6 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-N 116.029 -0.532 . . . . 1.09 111.617 -176.041 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 572' ' ' MET . . . . . 0.71 ' SD ' ' HE3' ' A' ' 563' ' ' MET . 17.7 ptp -63.42 -42.78 98.72 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.067 0.461 . . . . 1.11 109.996 -178.726 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 573' ' ' VAL . . . . . 0.486 ' CG1' ' HA ' ' A' ' 591' ' ' ARG . 54.0 t -66.57 -35.95 76.1 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.763 0 CA-C-N 115.607 -0.724 . . . . 1.05 111.294 -178.05 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 574' ' ' GLN . . . . . 0.54 ' HG3' ' O ' ' A' ' 570' ' ' GLN . 29.2 mt-30 -58.57 -37.98 76.89 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.557 -0.534 . . . . 2.38 109.557 177.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 575' ' ' TYR . . . . . 0.47 ' HD2' ' CD2' ' A' ' 576' ' ' TYR . 89.7 t80 -69.55 -50.24 46.74 Favored 'General case' 0 C--O 1.221 -0.439 0 CA-C-N 116.051 -0.522 . . . . 0.99 111.201 173.462 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 576' ' ' TYR . . . . . 0.523 ' CB ' ' HB ' ' A' ' 590' ' ' ILE . 21.5 m-85 -73.67 -17.38 61.15 Favored 'General case' 0 N--CA 1.467 0.375 0 N-CA-C 112.729 0.64 . . . . 0.38 112.729 -171.692 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -77.23 -29.85 54.28 Favored 'General case' 0 C--N 1.318 -0.764 0 C-N-CA 120.577 -0.449 . . . . 1.86 110.913 174.506 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -96.76 -39.21 9.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.933 0.397 . . . . 2.07 111.094 179.282 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -130.47 78.06 74.85 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-N 115.925 -0.579 . . . . 2.57 109.862 178.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_exo -69.83 160.45 49.65 Favored 'Trans proline' 0 CA--C 1.532 0.399 0 C-N-CA 123.886 3.057 . . . . 0.21 113.249 -172.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -93.27 153.3 18.66 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.819 -0.628 . . . . 1.02 111.064 -173.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 582' ' ' ILE . . . . . 0.432 HG12 ' HG2' ' A' ' 587' ' ' LYS . 57.2 mt -114.5 132.76 62.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.058 0.456 . . . . 1.16 112.223 -171.546 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 583' ' ' ILE . . . . . . . . . . . . . 30.5 mt -126.27 120.66 57.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 115.919 -0.582 . . . . 1.42 110.262 172.545 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 584' ' ' ASN . . . . . 0.498 HD21 ' N ' ' A' ' 584' ' ' ASN . 0.8 OUTLIER 59.29 35.13 23.24 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 116.125 -0.489 . . . . 1.7 111.302 177.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 83.13 3.34 90.34 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.802 -0.714 . . . . 0.69 113.027 178.151 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -107.47 127.01 53.22 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.922 0.391 . . . . 1.93 110.44 179.614 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 587' ' ' LYS . . . . . 0.432 ' HG2' HG12 ' A' ' 582' ' ' ILE . 52.9 mtmt -81.32 107.58 14.22 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.9 -0.591 . . . . 2.64 109.897 -179.018 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 588' ' ' LEU . . . . . . . . . . . . . 65.5 mt -86.89 129.98 34.65 Favored 'General case' 0 CA--C 1.507 -0.709 0 CA-C-N 115.887 -0.597 . . . . 1.09 110.594 -177.586 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 39.8 tp -83.5 109.14 17.13 Favored 'General case' 0 C--N 1.311 -1.072 0 N-CA-C 109.024 -0.732 . . . . 1.1 109.024 174.03 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 590' ' ' ILE . . . . . 0.523 ' HB ' ' CB ' ' A' ' 576' ' ' TYR . 44.9 mt -96.74 115.09 35.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 107.894 -1.15 . . . . 1.04 107.894 177.519 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 591' ' ' ARG . . . . . 0.486 ' HA ' ' CG1' ' A' ' 573' ' ' VAL . 8.1 ptp180 -146.02 165.69 28.28 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 112.668 0.618 . . . . 3.66 112.668 -174.592 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 592' ' ' MET . . . . . 0.483 ' HG2' HG11 ' A' ' 573' ' ' VAL . 0.1 OUTLIER -62.53 140.83 58.64 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.176 -0.92 . . . . 1.06 110.42 -175.555 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 86.0 p -83.26 128.88 34.87 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.641 -0.424 . . . . 1.57 110.086 176.114 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 6.8 p -95.56 31.89 1.92 Allowed 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.278 0.561 . . . . 2.17 110.095 175.018 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -137.47 -40.65 0.57 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.565 -0.743 . . . . 3.39 110.957 -176.298 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 83.3 m-85 -110.16 135.22 51.29 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.963 0.411 . . . . 1.27 111.521 -173.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 18.2 tppt? -90.3 -40.9 11.85 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.045 -0.724 . . . . 3.84 109.045 169.501 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -152.41 156.09 38.83 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.216 -0.902 . . . . 2.02 109.471 178.094 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 599' ' ' LEU . . . . . . . . . . . . . 97.1 mt -92.56 108.54 20.05 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.196 0.522 . . . . 1.09 110.588 -178.387 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -80.45 79.64 7.02 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.656 -0.702 . . . . 3.46 111.396 -175.019 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 68.8 mt -88.23 147.98 24.58 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.865 -0.607 . . . . 1.47 110.335 175.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 602' ' ' LYS . . . . . 0.407 ' HD2' ' HG3' ' A' ' 603' ' ' LYS . 0.0 OUTLIER -95.7 5.53 51.19 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.61 0.719 . . . . 5.81 109.226 172.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 603' ' ' LYS . . . . . 0.407 ' HG3' ' HD2' ' A' ' 602' ' ' LYS . 28.6 mtpp -120.53 116.21 32.1 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 114.777 -1.102 . . . . 6.08 109.376 174.014 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 604' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_exo -59.36 103.95 0.2 Allowed 'Trans proline' 0 C--O 1.234 0.301 0 C-N-CA 122.238 1.958 . . . . 6.24 111.07 174.178 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 605' ' ' GLY . . . . . . . . . . . . . . . -56.14 -53.76 40.35 Favored Glycine 0 C--N 1.335 0.481 0 CA-C-N 115.21 -0.904 . . . . 6.9 113.846 -174.196 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -125.1 91.58 3.46 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 117.18 0.49 . . . . 9.18 110.461 -179.514 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 607' ' ' ASN . . . . . 0.576 ' HA ' ' NH2' ' A' ' 621' ' ' ARG . 49.0 t30 -119.16 -159.43 0.77 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.056 -0.52 . . . . 9.69 110.351 -176.583 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 608' ' ' VAL . . . . . 0.428 ' H ' ' CG ' ' A' ' 607' ' ' ASN . 57.6 t 67.52 -82.8 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.298 0 C-N-CA 123.076 0.55 . . . . 9.96 110.867 -178.209 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -130.76 3.24 4.49 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-O 120.593 0.235 . . . . 9.72 110.618 178.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . 63.91 174.32 0.18 Allowed 'General case' 0 C--O 1.233 0.2 0 CA-C-N 115.676 -0.693 . . . . 9.52 110.581 -175.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . 0.404 HG21 ' HG2' ' A' ' 613' ' ' GLN . 52.7 mt -103.64 98.23 6.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 N-CA-C 109.207 -0.664 . . . . 8.52 109.207 174.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 612' ' ' ILE . . . . . . . . . . . . . 54.9 mt -95.73 89.58 2.31 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 115.536 -0.756 . . . . 9.1 110.84 -173.074 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 613' ' ' GLN . . . . . 0.404 ' HG2' HG21 ' A' ' 611' ' ' ILE . 11.9 mm100 -104.01 -37.34 7.41 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.289 0.566 . . . . 10.72 110.009 177.027 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -143.18 98.16 3.22 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-O 121.68 0.752 . . . . 10.41 109.188 177.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 615' ' ' ILE . . . . . . . . . . . . . 49.8 mt -59.74 136.99 22.78 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.415 0 CA-C-N 114.103 -1.408 . . . . 8.92 111.255 -178.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 54.8 m80 -133.04 133.64 43.33 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.797 -0.638 . . . . 7.47 110.068 177.368 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 18.2 m 59.93 26.52 15.78 Favored 'General case' 0 CA--C 1.533 0.311 0 O-C-N 123.767 0.667 . . . . 6.99 111.818 178.326 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 618' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 64.34 5.73 2.71 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 113.101 0.778 . . . . 9.92 113.101 175.615 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 35.3 mmt180 -87.05 71.31 10.23 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.381 0.61 . . . . 13.6 111.244 -177.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 620' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -102.92 45.89 0.94 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.345 -0.843 . . . . 11.34 110.275 -179.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 621' ' ' ARG . . . . . 0.576 ' NH2' ' HA ' ' A' ' 607' ' ' ASN . 12.5 mmt180 . . . . . 0 C--O 1.249 1.03 0 CA-C-N 115.075 -0.966 . . . . 11.92 110.964 -176.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.681 0 N-CA-C 111.591 -0.604 . . . . 7.0 111.591 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . -129.86 -7.79 4.48 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.887 0.343 . . . . 5.89 111.402 -178.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 512' ' ' MET . . . . . 0.53 ' O ' ' HB ' ' A' ' 548' ' ' THR . 94.8 mmm -91.0 66.85 5.91 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.1 0.476 . . . . 6.52 111.182 -177.842 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 513' ' ' ALA . . . . . 0.464 ' HA ' ' HB ' ' A' ' 548' ' ' THR . . . -81.04 93.54 6.4 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.263 -0.643 . . . . 2.69 109.263 174.688 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 514' ' ' GLN . . . . . 0.52 ' HB3' ' CG ' ' A' ' 516' ' ' LYS . 86.4 mm-40 -49.16 -53.99 18.44 Favored 'General case' 0 CA--C 1.506 -0.723 0 CA-C-N 114.238 -1.346 . . . . 5.85 112.653 -175.182 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 515' ' ' ARG . . . . . 0.431 ' HB2' ' O ' ' A' ' 514' ' ' GLN . 51.9 mtt85 69.6 -67.51 0.22 Allowed 'General case' 0 N--CA 1.454 -0.236 0 O-C-N 124.231 0.957 . . . . 7.19 108.845 -170.103 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 516' ' ' LYS . . . . . 0.52 ' CG ' ' HB3' ' A' ' 514' ' ' GLN . 33.4 mmtp 39.1 45.93 1.11 Allowed 'General case' 0 N--CA 1.475 0.776 0 O-C-N 124.127 0.892 . . . . 5.61 113.364 166.589 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 517' ' ' GLY . . . . . 0.444 ' HA2' ' O ' ' A' ' 616' ' ' HIS . . . 136.97 -41.74 1.38 Allowed Glycine 0 N--CA 1.434 -1.481 0 C-N-CA 119.681 -1.247 . . . . 3.59 110.887 -173.202 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 518' ' ' ALA . . . . . 0.414 ' CB ' ' HB ' ' A' ' 566' ' ' THR . . . -173.67 -49.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.385 -0.407 . . . . 2.73 111.192 178.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 62.94 94.71 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 119.831 -1.176 . . . . 2.08 110.373 -165.356 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 57.8 mtp180 -121.34 145.19 48.14 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.863 0.364 . . . . 3.0 110.507 -177.371 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 59.5 t -94.67 134.9 30.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.658 -0.701 . . . . 1.08 111.814 -173.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 522' ' ' VAL . . . . . 0.439 HG21 ' HE2' ' A' ' 592' ' ' MET . 93.4 t -105.19 134.14 47.47 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-N 115.099 -0.955 . . . . 1.07 109.414 172.857 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 7.2 p-80 -106.67 136.13 47.01 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.614 -0.513 . . . . 2.21 109.614 179.355 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 524' ' ' ILE . . . . . . . . . . . . . 77.6 mt -109.65 127.68 66.27 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.987 0 CA-C-N 116.131 -0.486 . . . . 1.06 109.976 178.525 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 8.3 p -120.73 171.65 8.44 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.715 -0.675 . . . . 2.22 110.906 -175.089 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 67.79 33.94 4.59 Favored 'General case' 0 N--CA 1.464 0.239 0 O-C-N 123.915 0.759 . . . . 1.74 110.277 -177.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 84.0 mt -88.01 120.36 70.7 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-N 115.871 -0.604 . . . . 1.09 111.301 -176.629 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 528' ' ' PRO . . . . . 0.532 ' HD2' ' SG ' ' A' ' 532' ' ' CYS . 35.8 Cg_endo -68.58 131.96 24.18 Favored 'Trans proline' 0 C--O 1.237 0.462 0 C-N-CA 122.361 2.041 . . . . 0.88 111.97 172.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -68.86 131.0 44.41 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.003 -0.544 . . . . 2.98 111.295 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 83.78 -18.7 19.2 Favored Glycine 0 N--CA 1.45 -0.392 0 CA-C-N 116.084 -0.507 . . . . 0.97 113.41 175.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 531' ' ' SER . . . . . 0.4 ' HB3' ' ND2' ' A' ' 584' ' ' ASN . 12.9 m -92.14 -36.21 13.43 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.99 0.395 . . . . 1.63 110.907 -178.459 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 532' ' ' CYS . . . . . 0.532 ' SG ' ' HD2' ' A' ' 528' ' ' PRO . 67.0 m -86.31 129.55 34.81 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.309 -0.405 . . . . 1.73 110.358 178.485 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 29.5 p -104.19 167.32 9.83 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.744 -0.465 . . . . 1.27 109.744 -178.569 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -59.76 -44.4 93.87 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.558 -0.534 . . . . 1.32 109.558 178.274 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 49.5 m-80 -61.86 -44.19 97.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.427 -0.806 . . . . 2.62 111.623 -177.164 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 536' ' ' ASP . . . . . 0.526 ' O ' ' HG ' ' A' ' 540' ' ' LEU . 34.4 m-20 -66.72 -44.62 81.13 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 120.56 0.219 . . . . 0.52 111.506 -175.45 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 94.7 t -61.68 -41.92 92.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.002 0.429 . . . . 1.07 110.394 -178.131 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 86.1 mt -67.3 -40.95 85.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.89 -0.596 . . . . 1.07 110.659 177.061 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 539' ' ' ASN . . . . . 0.483 ' O ' ' HD3' ' A' ' 543' ' ' PRO . 6.2 m120 -61.96 -30.56 71.01 Favored 'General case' 0 C--O 1.224 -0.251 0 CA-C-N 115.929 -0.578 . . . . 1.74 111.884 -178.093 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 540' ' ' LEU . . . . . 0.526 ' HG ' ' O ' ' A' ' 536' ' ' ASP . 41.3 mt -69.42 -39.04 78.13 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 111.667 0.247 . . . . 1.08 111.667 -176.844 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -76.37 -36.8 38.08 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.475 -0.869 . . . . 0.26 112.425 -177.662 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 542' ' ' LEU . . . . . 0.481 ' HA ' ' O ' ' A' ' 545' ' ' GLY . 82.3 mt -48.04 -47.32 65.12 Favored Pre-proline 0 CA--C 1.545 0.776 0 N-CA-C 114.92 1.452 . . . . 1.11 114.92 -173.584 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 543' ' ' PRO . . . . . 0.483 ' HD3' ' O ' ' A' ' 539' ' ' ASN . 65.1 Cg_exo -49.08 -34.71 30.79 Favored 'Trans proline' 0 C--N 1.357 0.995 0 C-N-CA 122.346 2.03 . . . . 0.22 115.579 -171.653 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 544' ' ' PHE . . . . . 0.429 ' HB2' ' CB ' ' A' ' 572' ' ' MET . 87.0 m-85 -110.43 -17.52 13.44 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.141 -0.624 . . . . 0.42 112.677 178.43 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 545' ' ' GLY . . . . . 0.481 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . -149.84 138.96 7.07 Favored Glycine 0 C--O 1.226 -0.401 0 C-N-CA 120.754 -0.736 . . . . 1.14 112.984 177.086 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 546' ' ' LYS . . . . . 0.466 ' O ' ' HA ' ' A' ' 563' ' ' MET . 23.3 tptm -77.17 143.83 38.8 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.85 0.357 . . . . 2.18 111.379 -178.645 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 547' ' ' VAL . . . . . 0.565 ' HA ' ' O ' ' A' ' 562' ' ' GLU . 99.5 t -98.71 136.31 30.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.407 -0.815 . . . . 1.06 110.646 179.116 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 548' ' ' THR . . . . . 0.53 ' HB ' ' O ' ' A' ' 512' ' ' MET . 47.5 p -102.89 -38.21 7.49 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.016 0.436 . . . . 1.05 110.56 178.65 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -159.72 167.66 27.79 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 108.968 -0.752 . . . . 1.46 108.968 178.376 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 39.4 p90 -142.53 151.61 41.79 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.679 -0.408 . . . . 0.99 111.569 -178.352 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 54.9 mt -127.3 122.73 60.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 108.999 -0.741 . . . . 1.19 108.999 173.067 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 552' ' ' LEU . . . . . . . . . . . . . 41.7 mt -112.05 111.65 22.72 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 116.128 -0.487 . . . . 1.21 111.43 -175.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 67.0 mtt -108.52 86.21 2.25 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.505 0.669 . . . . 1.46 110.187 177.306 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -67.31 -30.19 69.97 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.155 -0.93 . . . . 1.98 110.308 -179.306 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 59.5 p -63.57 -27.44 69.25 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.66 -0.7 . . . . 1.26 111.907 -179.581 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 76.0 p -104.21 8.53 36.21 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.836 -0.346 . . . . 1.41 111.057 178.635 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 12.3 m120 57.24 42.21 25.66 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 115.747 -0.66 . . . . 2.35 110.889 -179.287 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -142.31 153.81 44.17 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.888 0.375 . . . . 2.3 110.977 -174.217 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -130.49 142.97 50.48 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.108 -0.496 . . . . 1.06 110.125 176.074 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 560' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -126.87 128.37 46.4 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.916 0.388 . . . . 0.45 109.991 -179.091 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 561' ' ' LEU . . . . . 0.44 ' HB3' ' HE3' ' A' ' 563' ' ' MET . 15.2 tp -125.51 134.85 51.87 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.869 -0.605 . . . . 1.06 109.888 -173.055 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 562' ' ' GLU . . . . . 0.565 ' O ' ' HA ' ' A' ' 547' ' ' VAL . 10.7 tp10 -101.01 137.87 38.82 Favored 'General case' 0 N--CA 1.465 0.298 0 O-C-N 123.077 0.235 . . . . 1.85 111.026 -176.207 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 563' ' ' MET . . . . . 0.733 ' HE2' ' SD ' ' A' ' 572' ' ' MET . 0.8 OUTLIER -113.82 139.35 49.22 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.943 0.877 . . . . 1.16 111.998 -175.916 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -62.7 -31.84 72.82 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-N 114.295 -1.321 . . . . 1.13 112.691 -173.582 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -130.18 154.63 47.34 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.423 -0.353 . . . . 1.44 110.106 -179.142 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 566' ' ' THR . . . . . 0.414 ' HB ' ' CB ' ' A' ' 518' ' ' ALA . 9.3 t -61.98 -37.11 83.57 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.131 0.491 . . . . 1.18 110.251 176.641 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -66.57 -34.55 78.16 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.773 -0.649 . . . . 1.91 110.687 177.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 568' ' ' ALA . . . . . 0.473 ' HB2' ' CA ' ' A' ' 545' ' ' GLY . . . -62.4 -46.11 90.09 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.905 -0.588 . . . . 1.07 110.858 -178.065 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -68.28 -47.28 68.11 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.951 -0.568 . . . . 1.06 111.647 -178.216 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 570' ' ' GLN . . . . . 0.556 ' O ' ' HG3' ' A' ' 574' ' ' GLN . 48.3 mt-30 -69.76 -46.28 66.17 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.3 -0.409 . . . . 1.35 111.516 -176.144 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -62.0 -41.11 97.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.353 -0.385 . . . . 1.09 111.548 -174.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 572' ' ' MET . . . . . 0.733 ' SD ' ' HE2' ' A' ' 563' ' ' MET . 15.4 ptp -66.43 -46.24 77.13 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.836 -0.345 . . . . 1.11 110.808 -177.214 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 573' ' ' VAL . . . . . 0.515 ' N ' ' HG3' ' A' ' 572' ' ' MET . 90.5 t -66.81 -36.9 78.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.337 -0.392 . . . . 1.05 111.412 -175.047 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 574' ' ' GLN . . . . . 0.556 ' HG3' ' O ' ' A' ' 570' ' ' GLN . 27.4 mt-30 -59.42 -37.32 77.74 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.653 -0.499 . . . . 2.38 109.653 178.128 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 72.5 t80 -69.78 -49.89 48.51 Favored 'General case' 0 C--O 1.222 -0.395 0 CA-C-N 116.062 -0.517 . . . . 0.99 110.955 172.615 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 576' ' ' TYR . . . . . 0.495 ' CE1' ' HB2' ' A' ' 572' ' ' MET . 21.2 m-85 -71.99 -16.54 62.07 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 112.691 0.626 . . . . 0.38 112.691 -172.652 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -76.68 -30.8 56.89 Favored 'General case' 0 C--N 1.318 -0.797 0 C-N-CA 120.562 -0.455 . . . . 1.86 110.438 174.259 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -95.86 -39.73 9.67 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.007 -0.542 . . . . 2.07 110.669 -178.583 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -129.97 78.78 74.33 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 115.74 -0.664 . . . . 2.57 109.554 176.234 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -68.16 159.63 52.31 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 123.381 2.721 . . . . 0.21 112.596 -174.524 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -91.88 152.88 19.88 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.007 -0.542 . . . . 1.02 110.487 -173.217 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 582' ' ' ILE . . . . . 0.436 HG12 ' HG2' ' A' ' 587' ' ' LYS . 57.2 mt -114.55 127.81 71.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 121.143 0.497 . . . . 1.16 112.334 -169.603 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 583' ' ' ILE . . . . . . . . . . . . . 36.9 mt -122.45 124.99 72.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.739 -0.664 . . . . 1.42 109.938 171.312 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 584' ' ' ASN . . . . . 0.4 ' ND2' ' HB3' ' A' ' 531' ' ' SER . 4.8 m-20 59.3 33.91 22.73 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.213 -0.449 . . . . 1.7 111.562 178.791 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 80.74 3.9 90.33 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.988 -0.625 . . . . 0.69 112.456 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -106.84 127.45 53.42 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.87 0.367 . . . . 1.93 110.774 -178.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 587' ' ' LYS . . . . . 0.436 ' HG2' HG12 ' A' ' 582' ' ' ILE . 30.4 mtpp -80.35 109.6 15.0 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.183 -0.462 . . . . 2.64 109.989 179.331 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 588' ' ' LEU . . . . . . . . . . . . . 69.4 mt -86.14 127.45 34.71 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.926 -0.579 . . . . 1.09 110.301 179.604 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 589' ' ' LEU . . . . . 0.4 ' HG ' ' HG3' ' A' ' 591' ' ' ARG . 26.4 tp -83.6 109.31 17.31 Favored 'General case' 0 N--CA 1.438 -1.052 0 N-CA-C 108.714 -0.847 . . . . 1.1 108.714 176.209 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 590' ' ' ILE . . . . . . . . . . . . . 52.5 mt -95.36 116.6 37.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 108.519 -0.919 . . . . 1.04 108.519 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 591' ' ' ARG . . . . . 0.4 ' HG3' ' HG ' ' A' ' 589' ' ' LEU . 29.1 mtp85 -129.78 157.69 41.48 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 113.014 0.746 . . . . 3.66 113.014 -170.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 592' ' ' MET . . . . . 0.478 ' HG2' HG11 ' A' ' 573' ' ' VAL . 0.1 OUTLIER -66.63 135.39 54.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.278 -0.873 . . . . 1.06 110.02 179.283 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 43.2 t -87.63 126.14 34.78 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.932 -0.307 . . . . 1.57 110.269 176.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 12.6 t -99.53 -15.36 18.67 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.149 0.5 . . . . 2.17 109.78 172.357 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 70.5 mtp180 -76.82 -39.14 52.39 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.823 -0.626 . . . . 3.39 110.643 -179.274 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -110.29 132.93 53.74 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.933 -0.395 . . . . 1.27 109.933 177.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -91.69 -26.04 18.83 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.148 -0.478 . . . . 3.84 109.745 172.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -159.98 143.65 14.21 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 108.806 -0.813 . . . . 2.02 108.806 -174.67 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 599' ' ' LEU . . . . . . . . . . . . . 42.8 mt -86.69 121.98 29.95 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.86 -0.422 . . . . 1.09 109.86 175.532 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 27.6 mm-40 -122.62 107.23 11.73 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 121.009 0.433 . . . . 3.46 110.518 177.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 62.9 mt -79.11 -167.63 1.22 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.506 -0.77 . . . . 1.47 109.236 175.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 46.9 mmtm -53.0 -37.15 61.19 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.019 -0.734 . . . . 5.81 109.019 169.265 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -87.71 120.69 71.04 Favored Pre-proline 0 N--CA 1.449 -0.479 0 CA-C-N 115.054 -0.976 . . . . 6.08 109.271 172.233 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 604' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -76.57 35.52 0.47 Allowed 'Trans proline' 0 CA--C 1.531 0.358 0 C-N-CA 122.825 2.35 . . . . 6.24 113.288 -176.605 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 605' ' ' GLY . . . . . . . . . . . . . . . 59.9 54.8 34.46 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.99 -0.624 . . . . 6.9 111.583 -177.403 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp 65.37 -79.56 0.03 OUTLIER 'General case' 0 C--O 1.231 0.108 0 C-N-CA 123.233 0.613 . . . . 9.18 111.148 -175.554 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 31.1 t-20 52.7 45.52 28.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.639 0.733 . . . . 9.69 109.684 -177.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 48.7 t -83.57 -52.63 12.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.509 -0.769 . . . . 9.96 109.007 178.076 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -151.08 158.28 43.85 Favored 'General case' 0 N--CA 1.438 -1.07 0 CA-C-N 114.875 -1.057 . . . . 9.72 108.851 177.222 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -61.87 123.77 18.92 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.178 -0.464 . . . . 9.52 110.167 176.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 61.2 mt -78.98 75.27 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.645 0.736 . . . . 8.52 109.929 -177.322 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 612' ' ' ILE . . . . . . . . . . . . . 46.4 mt -88.9 60.91 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.638 0 CA-C-O 121.774 0.797 . . . . 9.1 110.554 -176.383 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -90.53 -12.71 36.35 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 107.589 -1.263 . . . . 10.72 107.589 170.187 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 18.6 t70 177.2 119.52 0.03 OUTLIER 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 113.317 -1.765 . . . . 10.41 106.609 174.121 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 615' ' ' ILE . . . . . . . . . . . . . 66.2 mt -38.46 -60.58 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.928 0 O-C-N 124.876 1.36 . . . . 8.92 113.043 -170.041 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 616' ' ' HIS . . . . . 0.444 ' O ' ' HA2' ' A' ' 517' ' ' GLY . 51.5 m80 52.99 51.49 15.73 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 120.713 0.292 . . . . 7.47 110.946 -178.473 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 13.8 t 71.53 -14.83 0.46 Allowed 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 115.933 -0.576 . . . . 6.99 112.109 177.709 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 618' ' ' GLN . . . . . 0.428 ' H ' ' C ' ' A' ' 616' ' ' HIS . 25.9 mm-40 -76.28 85.24 3.07 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.086 -0.709 . . . . 9.92 109.086 175.678 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 93.5 mtt180 -76.57 69.03 2.94 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.795 -0.638 . . . . 13.6 111.615 -171.709 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 620' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 54.67 70.32 0.63 Allowed 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.505 -0.77 . . . . 11.34 111.393 176.123 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 14.9 ptm180 . . . . . 0 C--O 1.248 0.976 0 CA-C-O 118.162 -0.923 . . . . 11.92 110.375 179.602 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 510' ' ' GLY . . . . . 0.406 ' C ' ' H ' ' A' ' 512' ' ' MET . . . . . . . . 0 N--CA 1.48 1.622 0 N-CA-C 111.942 -0.463 . . . . 7.0 111.942 . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . 66.07 -1.71 1.1 Allowed 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 123.306 0.642 . . . . 5.89 112.292 178.602 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 512' ' ' MET . . . . . 0.406 ' H ' ' C ' ' A' ' 510' ' ' GLY . 21.3 mmt 67.32 178.35 0.23 Allowed 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 123.181 0.592 . . . . 6.52 110.873 -179.575 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 513' ' ' ALA . . . . . 0.461 ' HA ' ' ND2' ' A' ' 549' ' ' ASN . . . -179.15 -158.02 0.03 OUTLIER 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.548 -0.296 . . . . 2.69 110.668 179.741 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 514' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -58.48 -20.5 45.98 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 121.305 0.574 . . . . 5.85 110.571 -178.84 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 63.0 mtt180 -47.12 -30.15 2.64 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 114.622 -1.172 . . . . 7.19 112.508 -179.736 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 516' ' ' LYS . . . . . 0.447 ' O ' ' HB3' ' A' ' 616' ' ' HIS . 34.8 mmtp -52.43 -30.37 29.15 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.677 -0.692 . . . . 5.61 112.325 177.671 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . 172.83 -76.89 0.09 OUTLIER Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.405 -0.902 . . . . 3.59 112.312 179.742 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 518' ' ' ALA . . . . . . . . . . . . . . . -107.56 -64.19 1.23 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.373 0.13 . . . . 2.73 110.895 -178.649 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 519' ' ' GLY . . . . . 0.479 ' HA2' ' O ' ' A' ' 563' ' ' MET . . . 80.38 109.23 0.28 Allowed Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.527 -0.844 . . . . 2.08 112.556 -177.411 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 520' ' ' ARG . . . . . 0.553 ' HA ' ' O ' ' A' ' 597' ' ' LYS . 67.6 mtp180 -143.07 143.14 31.74 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.965 -0.384 . . . . 3.0 109.965 177.925 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 521' ' ' VAL . . . . . 0.411 HG23 ' HA ' ' A' ' 598' ' ' GLU . 90.2 t -94.86 134.74 31.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 121.735 0.779 . . . . 1.08 111.999 -174.918 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 522' ' ' VAL . . . . . . . . . . . . . 88.0 t -104.63 136.47 38.02 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 114.496 -1.229 . . . . 1.07 109.048 171.695 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 4.6 p-80 -104.26 137.51 42.07 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.594 -0.521 . . . . 2.21 109.594 -177.652 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 524' ' ' ILE . . . . . . . . . . . . . 78.9 mt -117.11 126.96 74.77 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.898 0 CA-C-N 115.913 -0.585 . . . . 1.06 109.976 178.768 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 7.7 p -122.25 174.84 6.73 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.637 -0.71 . . . . 2.22 110.79 -174.728 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 66.08 26.8 10.68 Favored 'General case' 0 N--CA 1.466 0.355 0 O-C-N 123.679 0.612 . . . . 1.74 110.879 -178.669 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 81.0 mt -78.2 121.28 83.68 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 116.086 -0.506 . . . . 1.09 111.166 -176.754 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 528' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo -67.41 131.37 24.59 Favored 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 121.998 1.798 . . . . 0.88 111.873 176.473 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -69.13 132.13 46.08 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.567 -0.742 . . . . 2.98 111.434 -179.069 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 80.37 -18.54 8.22 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 121.186 -0.531 . . . . 0.97 113.273 176.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 3.8 m -86.88 -34.54 19.4 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.018 0.437 . . . . 1.63 110.689 -178.693 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 35.5 m -85.81 130.0 34.67 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.93 -0.577 . . . . 1.73 111.364 -176.057 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 69.2 p -105.93 170.73 7.73 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.906 -0.776 . . . . 1.27 108.906 171.862 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -56.17 -43.73 78.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.022 0.439 . . . . 1.32 110.187 179.73 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -59.51 -43.59 93.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.413 -0.812 . . . . 2.62 112.174 -176.546 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 536' ' ' ASP . . . . . 0.708 ' O ' ' HG ' ' A' ' 540' ' ' LEU . 42.3 m-20 -61.55 -48.12 82.44 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-O 120.884 0.373 . . . . 0.52 110.917 -174.998 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 80.0 t -63.91 -43.99 97.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.8 -0.636 . . . . 1.07 110.827 -176.329 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 87.9 mt -67.04 -46.04 85.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.142 0.496 . . . . 1.07 110.673 179.222 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 539' ' ' ASN . . . . . 0.497 ' O ' ' HD3' ' A' ' 543' ' ' PRO . 6.2 m-20 -63.28 -27.01 69.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.582 -0.735 . . . . 1.74 112.519 -177.22 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 540' ' ' LEU . . . . . 0.708 ' HG ' ' O ' ' A' ' 536' ' ' ASP . 46.0 mt -71.19 -39.16 71.97 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.936 -0.305 . . . . 1.08 111.648 178.993 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -79.46 -35.42 29.39 Favored Glycine 0 CA--C 1.516 0.149 0 C-N-CA 120.496 -0.859 . . . . 0.26 112.352 -178.255 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 542' ' ' LEU . . . . . 0.409 ' HA ' ' O ' ' A' ' 545' ' ' GLY . 29.3 mt -47.89 -46.84 63.87 Favored Pre-proline 0 CA--C 1.544 0.72 0 N-CA-C 115.184 1.549 . . . . 1.11 115.184 -175.899 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 543' ' ' PRO . . . . . 0.497 ' HD3' ' O ' ' A' ' 539' ' ' ASN . 64.1 Cg_exo -49.09 -34.09 28.98 Favored 'Trans proline' 0 C--N 1.357 0.993 0 C-N-CA 122.323 2.015 . . . . 0.22 115.632 -171.219 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -110.0 -17.52 13.58 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.9 0.704 . . . . 0.42 112.9 179.888 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 545' ' ' GLY . . . . . 0.409 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . -149.53 143.39 10.76 Favored Glycine 0 CA--C 1.519 0.308 0 C-N-CA 120.921 -0.657 . . . . 1.14 112.537 176.193 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 24.0 tptm -76.32 137.77 40.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.258 0.551 . . . . 2.18 111.458 -177.603 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 91.1 t -97.24 137.68 24.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.203 -0.908 . . . . 1.06 110.796 179.639 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 548' ' ' THR . . . . . 0.514 ' HG1' ' HG3' ' A' ' 562' ' ' GLU . 54.9 p -107.98 -39.69 5.45 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.824 0.345 . . . . 1.05 111.089 176.247 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 549' ' ' ASN . . . . . 0.461 ' ND2' ' HA ' ' A' ' 513' ' ' ALA . 33.3 m-80 -146.88 166.93 25.23 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 110.221 -0.288 . . . . 1.46 110.221 -173.35 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 52.6 p90 -149.92 150.65 32.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.98 0.419 . . . . 0.99 111.442 178.019 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 25.7 mt -128.66 123.2 58.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 108.617 -0.883 . . . . 1.19 108.617 170.45 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 552' ' ' LEU . . . . . . . . . . . . . 86.8 mt -111.98 113.2 25.36 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.409 -0.36 . . . . 1.21 111.522 -175.234 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 26.2 mmt -108.11 84.94 2.03 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.409 -0.589 . . . . 1.46 109.409 173.414 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -68.51 -32.63 72.73 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.466 -0.788 . . . . 1.98 111.379 -175.129 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 64.2 p -65.48 -22.73 66.77 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.176 -0.465 . . . . 1.26 111.706 -178.464 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 556' ' ' THR . . . . . 0.478 ' O ' ' HG2' ' A' ' 558' ' ' GLN . 69.2 p -107.59 4.91 26.47 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.529 -0.305 . . . . 1.41 111.499 -179.884 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 16.3 m120 56.72 41.93 27.55 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 115.826 -0.625 . . . . 2.35 111.088 -177.629 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 558' ' ' GLN . . . . . 0.478 ' HG2' ' O ' ' A' ' 556' ' ' THR . 20.8 mm-40 -139.76 148.57 42.44 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.313 -0.403 . . . . 2.3 110.275 -175.147 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -140.31 145.36 37.12 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.997 0.427 . . . . 1.06 110.855 179.144 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 560' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -122.06 126.14 47.8 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.547 -0.751 . . . . 0.45 109.181 178.06 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 561' ' ' LEU . . . . . 0.429 ' HB3' ' HE2' ' A' ' 563' ' ' MET . 15.5 tp -121.13 132.82 55.09 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 116.1 -0.5 . . . . 1.06 109.681 -173.479 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 562' ' ' GLU . . . . . 0.514 ' HG3' ' HG1' ' A' ' 548' ' ' THR . 10.7 tp10 -101.82 134.48 44.92 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.825 0.345 . . . . 1.85 111.07 -174.932 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 563' ' ' MET . . . . . 0.701 ' HE1' ' SD ' ' A' ' 572' ' ' MET . 0.4 OUTLIER -112.47 144.84 41.25 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.704 0.764 . . . . 1.16 111.498 -174.779 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -65.36 -28.6 69.39 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 114.751 -1.113 . . . . 1.13 112.171 -175.703 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 34.6 m-85 -136.59 146.35 45.98 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.902 -0.407 . . . . 1.44 109.902 -175.022 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 566' ' ' THR . . . . . 0.401 ' O ' ' HG2' ' A' ' 570' ' ' GLN . 5.7 t -61.05 -38.59 86.71 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.166 -0.47 . . . . 1.18 110.167 176.5 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -66.47 -36.0 81.66 Favored 'General case' 0 C--O 1.226 -0.153 0 CA-C-N 116.189 -0.46 . . . . 1.91 110.805 177.891 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 568' ' ' ALA . . . . . . . . . . . . . . . -63.09 -45.9 89.89 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.273 -0.421 . . . . 1.07 110.76 179.569 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . 0.441 ' O ' ' HG2' ' A' ' 572' ' ' MET . . . -67.73 -46.89 70.85 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.881 -0.6 . . . . 1.06 111.625 -177.302 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 570' ' ' GLN . . . . . 0.582 ' O ' ' HG2' ' A' ' 574' ' ' GLN . 10.8 pt20 -69.08 -44.18 73.08 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.306 -0.406 . . . . 1.35 111.133 -176.722 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -62.15 -40.71 96.89 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.386 -0.37 . . . . 1.09 111.526 -177.438 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 572' ' ' MET . . . . . 0.701 ' SD ' ' HE1' ' A' ' 563' ' ' MET . 13.1 ptp -65.83 -44.44 85.56 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 110.026 -0.361 . . . . 1.11 110.026 -179.55 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 573' ' ' VAL . . . . . 0.463 ' CG1' ' HA ' ' A' ' 591' ' ' ARG . 78.7 t -66.49 -36.3 76.98 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.603 0 CA-C-N 116.098 -0.501 . . . . 1.05 111.123 -177.74 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 574' ' ' GLN . . . . . 0.582 ' HG2' ' O ' ' A' ' 570' ' ' GLN . 29.5 mm-40 -58.23 -38.15 76.28 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.596 -0.52 . . . . 2.38 109.596 177.653 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -69.65 -50.39 44.58 Favored 'General case' 0 C--O 1.219 -0.528 0 CA-C-N 116.121 -0.49 . . . . 0.99 111.053 173.605 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 576' ' ' TYR . . . . . 0.406 ' CB ' ' HB ' ' A' ' 590' ' ' ILE . 20.8 m-85 -72.2 -16.62 61.95 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 112.771 0.656 . . . . 0.38 112.771 -172.389 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -71.82 -34.3 69.22 Favored 'General case' 0 C--N 1.318 -0.778 0 C-N-CA 120.727 -0.389 . . . . 1.86 110.673 173.24 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -96.92 -39.67 9.27 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.103 0.478 . . . . 2.07 110.835 179.696 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -126.48 79.77 70.47 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 115.647 -0.706 . . . . 2.57 110.017 177.838 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -70.15 161.35 46.33 Favored 'Trans proline' 0 C--O 1.235 0.327 0 C-N-CA 123.726 2.951 . . . . 0.21 112.483 -176.238 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -92.27 152.69 19.69 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.199 -0.455 . . . . 1.02 110.522 -175.76 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 66.7 mt -120.55 133.99 65.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-O 120.94 0.4 . . . . 1.16 112.026 -170.537 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 583' ' ' ILE . . . . . . . . . . . . . 39.8 mt -121.53 116.36 49.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.961 -0.563 . . . . 1.42 110.168 171.51 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 58.44 39.27 25.32 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 116.093 -0.503 . . . . 1.7 111.789 175.847 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 84.57 0.87 89.32 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.983 -0.627 . . . . 0.69 112.885 178.076 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -105.07 126.74 52.4 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.856 0.36 . . . . 1.93 110.389 179.823 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 60.3 mtpt -83.49 113.4 20.76 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.977 -0.556 . . . . 2.64 110.366 -178.838 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 588' ' ' LEU . . . . . 0.502 HD13 ' CD1' ' A' ' 540' ' ' LEU . 54.3 mt -87.38 127.4 35.21 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.993 -0.549 . . . . 1.09 109.863 177.929 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 37.8 tp -83.69 107.93 16.44 Favored 'General case' 0 C--N 1.309 -1.17 0 N-CA-C 108.655 -0.869 . . . . 1.1 108.655 173.725 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 590' ' ' ILE . . . . . 0.406 ' HB ' ' CB ' ' A' ' 576' ' ' TYR . 40.8 mt -96.43 115.59 36.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 108.432 -0.951 . . . . 1.04 108.432 177.056 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 591' ' ' ARG . . . . . 0.463 ' HA ' ' CG1' ' A' ' 573' ' ' VAL . 73.7 mtt180 -139.04 165.04 28.18 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.324 0.49 . . . . 3.66 112.324 -173.787 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 592' ' ' MET . . . . . 0.452 ' HG2' HG12 ' A' ' 573' ' ' VAL . 0.1 OUTLIER -62.95 134.71 56.61 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.623 -0.717 . . . . 1.06 109.43 -178.629 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 23.0 t -81.8 130.78 35.18 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.047 0.451 . . . . 1.57 110.759 -176.482 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 22.2 p -99.12 -25.14 14.63 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.521 -0.763 . . . . 2.17 110.304 175.145 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 81.8 mtp180 -74.52 -39.53 62.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.386 -0.825 . . . . 3.39 110.801 -179.574 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 66.3 m-85 -124.25 133.63 53.45 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.333 -0.394 . . . . 1.27 110.308 177.273 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 597' ' ' LYS . . . . . 0.553 ' O ' ' HA ' ' A' ' 520' ' ' ARG . 83.2 tttt -91.27 -39.63 11.97 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.866 -0.606 . . . . 3.84 109.524 174.568 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 598' ' ' GLU . . . . . 0.411 ' HA ' HG23 ' A' ' 521' ' ' VAL . 8.7 pt-20 -148.71 144.62 27.22 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.938 -1.028 . . . . 2.02 109.589 -179.17 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 599' ' ' LEU . . . . . 0.435 HD12 ' HB2' ' A' ' 562' ' ' GLU . 42.9 mt -84.63 104.82 14.95 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.348 0.594 . . . . 1.09 110.266 178.02 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -98.03 60.45 1.46 Allowed 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 115.221 -0.899 . . . . 3.46 109.848 -175.868 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 75.3 mt -61.38 146.53 47.95 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.258 -0.883 . . . . 1.47 110.143 -179.02 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -78.24 67.7 4.11 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.368 0.604 . . . . 5.81 110.966 -174.916 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 33.4 mtmm -116.48 104.04 52.09 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 115.736 -0.665 . . . . 6.08 109.356 176.359 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 604' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -54.45 -35.96 86.57 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 123.063 2.509 . . . . 6.24 112.897 -176.395 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 605' ' ' GLY . . . . . . . . . . . . . . . 69.04 -152.79 52.52 Favored Glycine 0 N--CA 1.444 -0.782 0 CA-C-N 115.836 -0.62 . . . . 6.9 112.049 -179.095 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 13.1 mmmm -121.71 109.29 14.55 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.482 -0.562 . . . . 9.18 109.482 179.284 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 21.1 p30 -91.58 -26.03 18.92 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 121.057 -0.257 . . . . 9.69 111.52 -177.059 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 41.1 t -78.16 -64.0 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 109.677 -0.49 . . . . 9.96 109.677 177.414 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -83.45 94.6 8.04 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.076 -0.713 . . . . 9.72 109.076 174.738 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 610' ' ' ALA . . . . . 0.404 ' HB2' ' O ' ' A' ' 619' ' ' ARG . . . -51.34 130.81 27.78 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.254 -0.884 . . . . 9.52 112.235 -173.7 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 42.4 mm -74.98 86.54 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.803 -0.635 . . . . 8.52 109.875 177.855 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 612' ' ' ILE . . . . . . . . . . . . . 77.2 mt -115.74 102.64 14.02 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.732 0 CA-C-N 115.657 -0.701 . . . . 9.1 109.678 178.077 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -85.03 21.64 1.58 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.744 -0.662 . . . . 10.72 111.405 -175.877 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 24.0 t70 73.09 -49.11 0.69 Allowed 'General case' 0 N--CA 1.467 0.421 0 O-C-N 123.88 0.738 . . . . 10.41 111.228 179.133 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 615' ' ' ILE . . . . . 0.413 HD13 ' O ' ' A' ' 615' ' ' ILE . 1.2 pp -110.04 111.25 35.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 121.213 0.53 . . . . 8.92 111.664 177.538 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 616' ' ' HIS . . . . . 0.447 ' HB3' ' O ' ' A' ' 516' ' ' LYS . 57.5 m80 65.27 80.2 0.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.372 -0.831 . . . . 7.47 111.906 174.927 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 56.3 m -150.83 93.22 1.92 Allowed 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.384 -0.826 . . . . 6.99 109.564 176.024 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 618' ' ' GLN . . . . . . . . . . . . . 11.3 mm100 -80.0 53.96 1.8 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.008 0.432 . . . . 9.92 111.079 -174.978 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 619' ' ' ARG . . . . . 0.404 ' O ' ' HB2' ' A' ' 610' ' ' ALA . 30.7 mmm180 -132.96 42.12 3.09 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.982 -0.553 . . . . 13.6 109.683 -179.518 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 620' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -68.34 137.94 55.03 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.619 -0.719 . . . . 11.34 111.645 -175.115 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 30.3 mtp180 . . . . . 0 C--O 1.247 0.967 0 CA-C-O 118.497 -0.763 . . . . 11.92 109.782 172.759 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.896 0 N-CA-C 112.138 -0.385 . . . . 7.0 112.138 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . -84.97 -1.88 57.28 Favored 'General case' 0 C--N 1.328 -0.353 0 O-C-N 122.849 -0.206 . . . . 5.89 111.351 -176.942 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 512' ' ' MET . . . . . 0.401 ' HG2' HG23 ' A' ' 611' ' ' ILE . 56.3 mtt -61.84 -30.35 70.78 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.978 0.418 . . . . 6.52 110.742 179.561 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 513' ' ' ALA . . . . . 0.472 ' CB ' ' HB ' ' A' ' 548' ' ' THR . . . -159.94 -158.56 0.65 Allowed 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.724 -0.671 . . . . 2.69 110.164 -176.989 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 514' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 57.63 76.52 0.32 Allowed 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 121.406 0.622 . . . . 5.85 111.017 -178.791 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 25.5 mmt180 -82.46 -54.66 5.02 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.458 -0.792 . . . . 7.19 110.011 -177.082 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -81.56 115.65 20.95 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.597 -0.729 . . . . 5.61 109.649 179.089 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -71.89 71.52 0.92 Allowed Glycine 0 N--CA 1.451 -0.342 0 N-CA-C 111.707 -0.557 . . . . 3.59 111.707 179.502 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 518' ' ' ALA . . . . . 0.405 ' C ' ' HB ' ' A' ' 566' ' ' THR . . . 176.02 -15.73 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 123.332 0.653 . . . . 2.73 110.218 -171.327 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -43.68 133.22 6.03 Favored Glycine 0 C--N 1.343 0.945 0 O-C-N 123.736 0.648 . . . . 2.08 112.393 177.156 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -105.98 156.24 18.58 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.866 0.365 . . . . 3.0 111.207 -172.603 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 74.5 t -94.22 132.58 37.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.5 -0.773 . . . . 1.08 109.635 175.871 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 522' ' ' VAL . . . . . 0.455 HG21 ' SD ' ' A' ' 572' ' ' MET . 61.0 t -103.45 133.25 47.85 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.982 0 CA-C-N 115.755 -0.657 . . . . 1.07 109.424 177.202 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 5.8 p-80 -109.38 139.43 44.35 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.144 0.497 . . . . 2.21 110.007 -177.95 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 524' ' ' ILE . . . . . . . . . . . . . 78.2 mt -115.98 129.78 71.77 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.881 0 CA-C-N 115.673 -0.694 . . . . 1.06 110.172 179.231 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 16.4 p -120.56 175.02 6.2 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.889 -0.596 . . . . 2.22 110.5 -176.909 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 67.87 29.07 6.81 Favored 'General case' 0 N--CA 1.466 0.341 0 O-C-N 123.567 0.542 . . . . 1.74 110.361 179.147 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 79.8 mt -82.57 122.34 78.61 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 115.603 -0.726 . . . . 1.09 111.082 -175.917 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 528' ' ' PRO . . . . . 0.526 ' HD2' ' SG ' ' A' ' 532' ' ' CYS . 38.1 Cg_endo -69.01 129.53 18.57 Favored 'Trans proline' 0 N--CA 1.459 -0.539 0 C-N-CA 121.379 1.386 . . . . 0.88 111.025 174.093 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -70.4 125.73 27.62 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.972 -0.558 . . . . 2.98 111.701 -177.333 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 84.95 -18.4 26.99 Favored Glycine 0 N--CA 1.45 -0.405 0 CA-C-N 115.887 -0.597 . . . . 0.97 112.994 177.393 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 50.9 m -86.15 -34.46 20.57 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.805 0.336 . . . . 1.63 111.318 -176.699 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 532' ' ' CYS . . . . . 0.526 ' SG ' ' HD2' ' A' ' 528' ' ' PRO . 57.2 m -85.34 149.31 25.54 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.365 -0.379 . . . . 1.73 110.212 179.372 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 533' ' ' THR . . . . . 0.432 ' O ' HG23 ' A' ' 537' ' ' VAL . 30.1 p -106.46 165.92 10.92 Favored 'General case' 0 C--N 1.319 -0.761 0 N-CA-C 109.125 -0.695 . . . . 1.27 109.125 173.932 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -62.63 -45.28 93.56 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.05 -0.722 . . . . 1.32 109.05 176.744 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -62.41 -43.57 98.5 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.096 -0.956 . . . . 2.62 111.793 -177.016 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 536' ' ' ASP . . . . . 0.672 ' O ' ' HG ' ' A' ' 540' ' ' LEU . 8.8 m-20 -61.15 -45.85 92.97 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 120.908 -0.317 . . . . 0.52 111.45 -179.069 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 537' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 533' ' ' THR . 70.9 t -61.66 -42.05 92.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.101 0.477 . . . . 1.07 110.508 -178.986 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 86.3 mt -67.13 -45.83 85.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.768 -0.651 . . . . 1.07 110.743 177.301 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 539' ' ' ASN . . . . . 0.51 ' O ' ' HD3' ' A' ' 543' ' ' PRO . 79.0 m-20 -61.79 -27.15 68.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.564 -0.744 . . . . 1.74 112.056 -178.341 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 540' ' ' LEU . . . . . 0.672 ' HG ' ' O ' ' A' ' 536' ' ' ASP . 41.0 mt -64.24 -39.49 94.07 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 121.094 -0.242 . . . . 1.08 111.287 178.74 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -80.01 -36.87 23.73 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.71 -0.757 . . . . 0.26 112.772 -177.562 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 542' ' ' LEU . . . . . 0.596 ' HA ' ' O ' ' A' ' 545' ' ' GLY . 68.5 mt -48.07 -42.81 52.39 Favored Pre-proline 0 CA--C 1.545 0.776 0 N-CA-C 115.343 1.609 . . . . 1.11 115.343 -173.218 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 543' ' ' PRO . . . . . 0.51 ' HD3' ' O ' ' A' ' 539' ' ' ASN . 80.3 Cg_exo -50.79 -34.4 44.54 Favored 'Trans proline' 0 C--N 1.357 1.003 0 C-N-CA 121.849 1.699 . . . . 0.22 115.138 -174.706 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 69.2 m-85 -110.6 -18.98 13.05 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 113.039 0.755 . . . . 0.42 113.039 177.778 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 545' ' ' GLY . . . . . 0.596 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . -145.35 149.66 21.81 Favored Glycine 0 CA--C 1.52 0.351 0 C-N-CA 120.266 -0.968 . . . . 1.14 113.529 178.443 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 546' ' ' LYS . . . . . 0.482 ' O ' ' HA ' ' A' ' 563' ' ' MET . 56.2 tptt -86.72 127.67 34.98 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.774 0.321 . . . . 2.18 111.674 -177.926 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 547' ' ' VAL . . . . . 0.599 ' HA ' ' O ' ' A' ' 562' ' ' GLU . 84.4 t -87.98 135.71 24.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.473 -0.785 . . . . 1.06 110.535 177.017 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 548' ' ' THR . . . . . 0.472 ' HB ' ' CB ' ' A' ' 513' ' ' ALA . 81.5 p -101.27 -39.59 7.55 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.084 0.469 . . . . 1.05 110.523 177.188 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 549' ' ' ASN . . . . . 0.427 ' HB2' HD11 ' A' ' 601' ' ' LEU . 8.3 p30 -157.98 168.46 27.06 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.647 -0.706 . . . . 1.46 109.941 179.423 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 33.4 p90 -141.24 151.15 43.48 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.982 0.42 . . . . 0.99 110.885 -177.756 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 551' ' ' ILE . . . . . 0.405 HD13 HD23 ' A' ' 599' ' ' LEU . 29.9 mt -130.73 123.73 55.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.643 -0.708 . . . . 1.19 109.148 174.997 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 552' ' ' LEU . . . . . . . . . . . . . 46.5 mt -110.68 111.22 22.27 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.289 -0.414 . . . . 1.21 111.526 -174.507 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 63.4 mtt -108.93 86.02 2.21 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.411 0.624 . . . . 1.46 110.033 174.417 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 32.7 mmtm -67.74 -30.09 69.48 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.386 -0.824 . . . . 1.98 110.461 -177.031 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 65.1 p -58.88 -36.85 75.33 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.603 -0.726 . . . . 1.26 111.602 -178.011 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 69.2 p -101.07 11.43 39.56 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.297 -0.41 . . . . 1.41 111.601 -178.895 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 56.34 43.23 26.64 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.93 -0.577 . . . . 2.35 110.737 -179.806 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 74.6 mm-40 -140.23 149.02 42.37 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.132 0.492 . . . . 2.3 110.85 -175.61 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -130.13 142.56 50.58 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 115.944 -0.571 . . . . 1.06 109.527 175.498 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 560' ' ' PHE . . . . . 0.435 ' HB3' HD21 ' A' ' 599' ' ' LEU . 76.6 m-85 -120.05 126.79 51.66 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 109.666 -0.494 . . . . 0.45 109.666 179.348 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 561' ' ' LEU . . . . . 0.403 HD23 ' HE1' ' A' ' 563' ' ' MET . 14.8 tp -124.19 128.09 48.7 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.735 -0.666 . . . . 1.06 109.559 -174.232 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 562' ' ' GLU . . . . . 0.599 ' O ' ' HA ' ' A' ' 547' ' ' VAL . 7.4 tp10 -99.35 138.45 36.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.69 -0.232 . . . . 1.85 111.327 -172.321 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 563' ' ' MET . . . . . 0.574 ' SD ' ' HE3' ' A' ' 572' ' ' MET . 14.8 mmt -115.96 135.07 54.32 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.337 0.589 . . . . 1.16 111.43 -176.2 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -66.26 -25.99 67.13 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.332 -0.849 . . . . 1.13 111.556 -177.155 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -126.12 134.41 51.35 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.423 -0.808 . . . . 1.44 109.12 -178.826 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 566' ' ' THR . . . . . 0.405 ' HB ' ' C ' ' A' ' 518' ' ' ALA . 7.1 t -69.37 -30.81 68.89 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.71 0.291 . . . . 1.18 110.246 178.675 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -66.94 -35.88 80.99 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-O 121.055 0.455 . . . . 1.91 110.062 174.705 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 568' ' ' ALA . . . . . 0.569 ' HB1' ' CA ' ' A' ' 545' ' ' GLY . . . -62.54 -46.16 89.64 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 115.52 -0.764 . . . . 1.07 109.519 176.854 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . 0.854 ' HA ' ' SD ' ' A' ' 572' ' ' MET . . . -64.29 -45.48 87.83 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.507 -0.769 . . . . 1.06 111.567 -179.631 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 570' ' ' GLN . . . . . 0.541 ' O ' ' HG2' ' A' ' 574' ' ' GLN . 46.9 mt-30 -65.86 -47.15 75.9 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.26 -0.427 . . . . 1.35 111.149 -179.251 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -68.82 -37.93 79.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.552 -0.294 . . . . 1.09 111.547 -176.349 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 572' ' ' MET . . . . . 0.854 ' SD ' ' HA ' ' A' ' 569' ' ' ALA . 3.0 ptm -63.58 -47.69 80.44 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.674 -0.491 . . . . 1.11 109.674 -179.509 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 573' ' ' VAL . . . . . 0.553 ' N ' ' HG2' ' A' ' 572' ' ' MET . 50.6 t -67.24 -37.42 79.1 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.611 0 CA-C-N 116.399 -0.364 . . . . 1.05 111.235 -177.743 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 574' ' ' GLN . . . . . 0.541 ' HG2' ' O ' ' A' ' 570' ' ' GLN . 15.8 mm100 -59.1 -36.83 75.83 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.619 -0.432 . . . . 2.38 110.001 177.597 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 575' ' ' TYR . . . . . 0.41 ' HD2' ' CD2' ' A' ' 576' ' ' TYR . 82.5 t80 -69.67 -50.69 41.54 Favored 'General case' 0 C--O 1.219 -0.537 0 C-N-CA 120.729 -0.389 . . . . 0.99 111.277 172.958 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 576' ' ' TYR . . . . . 0.524 ' CB ' ' HB ' ' A' ' 590' ' ' ILE . 20.4 m-85 -74.7 -19.41 60.26 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 112.34 0.496 . . . . 0.38 112.34 -170.996 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 15.9 mm-40 -71.11 -30.54 66.64 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 120.904 0.383 . . . . 1.86 110.74 172.641 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 36.1 mm-40 -97.58 -39.93 8.87 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.115 0.483 . . . . 2.07 111.286 -179.819 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 13.1 mmmm -128.9 84.47 62.99 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-N 115.938 -0.574 . . . . 2.57 109.641 175.009 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_exo -73.37 159.62 46.36 Favored 'Trans proline' 0 CA--C 1.529 0.229 0 C-N-CA 123.396 2.731 . . . . 0.21 112.284 -176.282 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -93.62 153.16 18.54 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.826 0.346 . . . . 1.02 111.193 -172.88 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 582' ' ' ILE . . . . . 0.511 ' HA ' ' O ' ' A' ' 586' ' ' GLU . 61.8 mt -111.33 133.05 58.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.105 0.479 . . . . 1.16 112.166 -173.06 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 583' ' ' ILE . . . . . . . . . . . . . 34.3 mm -120.51 113.57 40.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 115.366 -0.834 . . . . 1.42 110.543 173.493 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 52.91 40.61 31.22 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 122.87 0.468 . . . . 1.7 111.759 178.314 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 85.76 4.49 85.03 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.739 -0.743 . . . . 0.69 112.644 179.28 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 586' ' ' GLU . . . . . 0.511 ' O ' ' HA ' ' A' ' 582' ' ' ILE . 56.3 mm-40 -101.83 125.42 48.5 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 110.093 -0.336 . . . . 1.93 110.093 178.443 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -86.83 107.42 18.3 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.39 -0.596 . . . . 2.64 109.39 177.217 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 588' ' ' LEU . . . . . . . . . . . . . 77.4 mt -92.43 125.86 37.26 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.833 -0.622 . . . . 1.09 110.451 -177.764 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 32.2 tp -82.55 109.4 16.72 Favored 'General case' 0 N--CA 1.44 -0.969 0 N-CA-C 108.573 -0.899 . . . . 1.1 108.573 175.119 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 590' ' ' ILE . . . . . 0.524 ' HB ' ' CB ' ' A' ' 576' ' ' TYR . 49.2 mt -94.96 116.02 35.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 N-CA-C 108.42 -0.955 . . . . 1.04 108.42 -179.859 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 591' ' ' ARG . . . . . 0.425 ' HA ' HG13 ' A' ' 573' ' ' VAL . 27.0 ptt180 -144.73 163.97 32.42 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.985 0.735 . . . . 3.66 112.985 -172.69 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 592' ' ' MET . . . . . 0.487 ' HG2' HG12 ' A' ' 573' ' ' VAL . 0.7 OUTLIER -63.61 139.59 58.78 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.248 -0.887 . . . . 1.06 110.549 -173.563 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 23.1 t -87.85 126.63 35.14 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.772 -0.455 . . . . 1.57 109.772 174.835 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 15.1 p -95.38 -14.02 24.21 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.201 0.524 . . . . 2.17 109.895 173.472 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -81.45 -37.08 28.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.594 -0.73 . . . . 3.39 110.792 179.737 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -115.09 132.9 56.45 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.041 0.448 . . . . 1.27 111.109 176.317 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 62.0 mttp -91.58 -39.96 11.61 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.421 -0.808 . . . . 3.84 109.356 172.722 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -143.33 148.2 35.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.04 -0.982 . . . . 2.02 109.209 178.226 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 599' ' ' LEU . . . . . 0.435 HD21 ' HB3' ' A' ' 560' ' ' PHE . 59.3 mt -87.63 109.03 19.36 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.239 0.543 . . . . 1.09 110.311 175.131 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -93.5 94.59 8.75 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 115.535 -0.757 . . . . 3.46 109.054 177.398 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 601' ' ' LEU . . . . . 0.427 HD11 ' HB2' ' A' ' 549' ' ' ASN . 90.7 mt -61.91 102.98 0.31 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.154 -0.475 . . . . 1.47 110.856 -178.838 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 602' ' ' LYS . . . . . 0.405 ' HD3' ' H ' ' A' ' 602' ' ' LYS . 0.0 OUTLIER -79.39 -8.02 58.79 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.41 0.624 . . . . 5.81 109.436 174.08 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -76.78 127.88 83.0 Favored Pre-proline 0 N--CA 1.448 -0.526 0 CA-C-N 115.26 -0.882 . . . . 6.08 110.145 178.725 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 604' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -75.87 1.04 8.58 Favored 'Trans proline' 0 CA--C 1.529 0.267 0 C-N-CA 122.827 2.352 . . . . 6.24 113.055 -178.714 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 605' ' ' GLY . . . . . . . . . . . . . . . -67.36 -61.01 5.4 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.925 -0.655 . . . . 6.9 112.219 179.626 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp 63.55 -174.71 0.16 Allowed 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 122.99 0.516 . . . . 9.18 111.264 178.574 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 607' ' ' ASN . . . . . 0.433 ' OD1' HG13 ' A' ' 611' ' ' ILE . 12.6 t30 56.15 73.87 0.42 Allowed 'General case' 0 N--CA 1.466 0.375 0 CA-C-O 121.38 0.61 . . . . 9.69 110.804 -177.595 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 79.5 t -79.45 -65.16 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.178 -0.465 . . . . 9.96 109.955 176.606 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -90.84 -56.53 3.14 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.921 -0.581 . . . . 9.72 109.817 174.857 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -168.21 154.31 7.22 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.76 -0.655 . . . . 9.52 109.758 178.604 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . 0.433 HG13 ' OD1' ' A' ' 607' ' ' ASN . 58.1 mt -86.35 77.4 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 121.476 0.655 . . . . 8.52 109.493 176.503 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 612' ' ' ILE . . . . . . . . . . . . . 61.3 mt -83.27 124.95 40.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.594 -0.73 . . . . 9.1 109.744 -179.557 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -113.99 -20.93 10.83 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.286 0.476 . . . . 10.72 112.286 -174.214 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -108.02 -68.16 0.92 Allowed 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.5 0.555 . . . . 10.41 112.5 -173.45 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 615' ' ' ILE . . . . . . . . . . . . . 2.8 pp -79.7 170.92 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 112.023 0.379 . . . . 8.92 112.023 -173.633 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 39.8 m80 -75.59 -65.68 0.87 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.671 0.272 . . . . 7.47 110.59 -177.01 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 12.3 p -133.94 -68.58 0.56 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.211 -0.45 . . . . 6.99 110.748 -178.649 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 618' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 54.91 -165.42 0.1 Allowed 'General case' 0 C--O 1.236 0.366 0 CA-C-O 121.467 0.651 . . . . 9.92 111.602 178.612 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 619' ' ' ARG . . . . . 0.507 ' NE ' ' HA ' ' A' ' 619' ' ' ARG . 4.0 mmp_? -81.35 105.45 12.54 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 108.915 -0.772 . . . . 13.6 108.915 171.145 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 620' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -61.68 136.09 57.87 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.198 -0.91 . . . . 11.34 111.156 -176.365 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 86.5 mtm180 . . . . . 0 C--O 1.247 0.967 0 CA-C-O 118.309 -0.853 . . . . 11.92 110.325 -177.284 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.562 0 N-CA-C 111.929 -0.468 . . . . 7.0 111.929 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . -115.24 28.31 8.78 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.195 0.522 . . . . 5.89 110.67 -179.776 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.7 -27.93 28.65 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.958 -0.565 . . . . 6.52 110.723 -180.0 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -109.24 -159.98 0.7 Allowed 'General case' 0 CA--C 1.511 -0.524 0 CA-C-O 121.482 0.658 . . . . 2.69 111.17 -176.585 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 514' ' ' GLN . . . . . 0.418 ' CG ' HG21 ' A' ' 548' ' ' THR . 14.1 mm100 -79.51 -36.73 38.09 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.134 -0.939 . . . . 5.85 110.231 172.933 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 16.2 mmm180 -142.97 -90.49 0.13 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.268 -0.423 . . . . 7.19 111.67 -172.904 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp -104.28 -7.49 19.99 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.355 -0.384 . . . . 5.61 111.192 -177.233 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 517' ' ' GLY . . . . . 0.494 ' C ' ' H ' ' A' ' 519' ' ' GLY . . . 72.02 29.96 66.16 Favored Glycine 0 N--CA 1.446 -0.635 0 N-CA-C 109.391 -1.483 . . . . 3.59 109.391 -167.589 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 518' ' ' ALA . . . . . 0.453 ' HB1' ' O ' ' A' ' 563' ' ' MET . . . 70.62 -40.02 0.46 Allowed 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 114.073 -1.064 . . . . 2.73 111.785 -174.377 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 519' ' ' GLY . . . . . 0.494 ' H ' ' C ' ' A' ' 517' ' ' GLY . . . 95.04 -7.06 69.59 Favored Glycine 0 C--N 1.312 -0.753 0 N-CA-C 110.121 -1.192 . . . . 2.08 110.121 -170.715 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 520' ' ' ARG . . . . . 0.454 ' HD2' HE22 ' A' ' 570' ' ' GLN . 92.8 mtt180 -146.78 140.91 26.18 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 114.516 -0.842 . . . . 3.0 109.66 176.791 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 68.8 t -104.1 138.55 28.21 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.966 0 CA-C-N 116.08 -0.509 . . . . 1.08 109.72 174.469 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 522' ' ' VAL . . . . . . . . . . . . . 49.3 t -98.99 128.94 50.09 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 N-CA-C 109.531 -0.544 . . . . 1.07 109.531 -179.624 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 523' ' ' HIS . . . . . 0.426 ' CE1' ' HG3' ' A' ' 591' ' ' ARG . 5.0 p-80 -106.43 136.72 45.69 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.407 -0.517 . . . . 2.21 109.913 -179.447 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 524' ' ' ILE . . . . . . . . . . . . . 74.7 mt -110.77 130.47 64.1 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.953 0 CA-C-N 115.517 -0.765 . . . . 1.06 110.135 -178.936 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 525' ' ' CYS . . . . . 0.589 ' SG ' ' HB3' ' A' ' 589' ' ' LEU . 2.9 p -123.45 175.0 7.01 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.93 -0.577 . . . . 2.22 111.0 -177.106 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 69.55 26.34 5.11 Favored 'General case' 0 N--CA 1.469 0.487 0 O-C-N 124.027 0.829 . . . . 1.74 110.312 -174.824 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 79.6 mt -83.43 121.67 76.73 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 115.981 -0.554 . . . . 1.09 111.164 -177.572 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 528' ' ' PRO . . . . . 0.765 ' HD2' ' SG ' ' A' ' 532' ' ' CYS . 17.3 Cg_exo -68.17 132.26 25.59 Favored 'Trans proline' 0 C--O 1.238 0.496 0 C-N-CA 122.474 2.116 . . . . 0.88 111.596 171.696 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -68.07 131.64 45.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.845 0.355 . . . . 2.98 111.509 -179.679 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 77.36 -19.64 3.68 Favored Glycine 0 C--O 1.228 -0.223 0 CA-C-N 115.96 -0.564 . . . . 0.97 113.834 174.583 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 531' ' ' SER . . . . . 0.478 ' HB2' ' HB2' ' A' ' 528' ' ' PRO . 16.1 m -85.46 -32.17 22.43 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 117.139 0.469 . . . . 1.63 110.605 -179.556 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 532' ' ' CYS . . . . . 0.765 ' SG ' ' HD2' ' A' ' 528' ' ' PRO . 36.4 m -85.24 136.11 33.65 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.893 -0.594 . . . . 1.73 109.952 178.27 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 69.9 p -105.93 168.61 9.01 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.523 -0.547 . . . . 1.27 109.523 176.52 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -59.93 -40.67 89.69 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.502 0.668 . . . . 1.32 109.348 179.603 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -62.5 -43.49 98.68 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 114.798 -1.092 . . . . 2.62 112.105 -175.653 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 536' ' ' ASP . . . . . 0.445 ' O ' ' HG ' ' A' ' 540' ' ' LEU . 63.9 m-20 -63.75 -47.42 81.09 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 120.956 0.408 . . . . 0.52 110.898 -175.874 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 59.5 t -62.57 -42.58 96.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.443 -0.799 . . . . 1.07 110.857 -176.53 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 97.8 mt -66.74 -45.58 87.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.012 -0.54 . . . . 1.07 110.978 179.298 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 539' ' ' ASN . . . . . 0.538 ' O ' ' HD3' ' A' ' 543' ' ' PRO . 21.5 m-80 -63.47 -28.31 69.87 Favored 'General case' 0 CA--C 1.518 -0.254 0 N-CA-C 112.563 0.579 . . . . 1.74 112.563 -179.849 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 540' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 536' ' ' ASP . 28.7 mt -68.39 -33.51 74.38 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.67 -0.412 . . . . 1.08 111.669 178.804 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 541' ' ' GLY . . . . . 0.417 ' O ' ' HE1' ' A' ' 572' ' ' MET . . . -79.25 -33.86 34.5 Favored Glycine 0 CA--C 1.518 0.264 0 C-N-CA 120.22 -0.99 . . . . 0.26 112.674 -178.281 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 542' ' ' LEU . . . . . 0.463 HD12 ' HA ' ' A' ' 539' ' ' ASN . 87.8 mt -52.04 -48.1 89.49 Favored Pre-proline 0 CA--C 1.548 0.873 0 N-CA-C 115.531 1.678 . . . . 1.11 115.531 -175.019 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 543' ' ' PRO . . . . . 0.538 ' HD3' ' O ' ' A' ' 539' ' ' ASN . 17.2 Cg_exo -43.24 -33.53 3.83 Favored 'Trans proline' 0 N--CA 1.484 0.953 0 C-N-CA 123.259 2.639 . . . . 0.22 117.273 -167.27 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 544' ' ' PHE . . . . . 0.49 ' HB2' ' CA ' ' A' ' 572' ' ' MET . 79.0 m-85 -110.02 -17.44 13.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 121.16 -0.963 . . . . 0.42 112.362 179.719 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -128.77 -140.33 4.92 Favored Glycine 0 C--N 1.32 -0.359 0 CA-C-N 116.094 -0.503 . . . . 1.14 112.741 -179.348 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 546' ' ' LYS . . . . . 0.45 ' O ' ' HA ' ' A' ' 563' ' ' MET . 29.9 tptp -151.41 138.73 19.37 Favored 'General case' 0 C--N 1.312 -1.038 0 N-CA-C 109.147 -0.686 . . . . 2.18 109.147 173.369 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 92.3 t -91.88 134.38 30.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 O-C-N 123.229 0.331 . . . . 1.06 110.469 179.461 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 548' ' ' THR . . . . . 0.497 ' CG2' ' HA ' ' A' ' 564' ' ' ALA . 37.4 p -107.33 -40.57 5.34 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.023 -0.535 . . . . 1.05 111.031 176.908 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 72.3 m-20 -147.81 165.65 29.92 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.988 -0.551 . . . . 1.46 109.93 -176.694 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 550' ' ' TYR . . . . . 0.545 ' O ' HD23 ' A' ' 601' ' ' LEU . 11.8 p90 -150.04 150.03 31.17 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 110.139 -0.319 . . . . 0.99 110.139 178.057 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 21.0 mt -137.74 124.07 27.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 109.299 -0.63 . . . . 1.19 109.299 173.407 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 552' ' ' LEU . . . . . . . . . . . . . 84.5 mt -105.09 110.83 23.37 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 116.009 -0.542 . . . . 1.21 110.97 -177.098 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 24.9 mmt -101.47 81.82 2.23 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.782 -0.822 . . . . 1.46 108.782 174.597 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -70.55 -30.18 66.83 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.002 -0.999 . . . . 1.98 110.951 -175.286 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 65.3 p -64.27 -25.92 68.27 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.899 -0.591 . . . . 1.26 111.174 178.914 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 76.6 p -105.96 9.38 32.64 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.3 -0.409 . . . . 1.41 111.367 179.785 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 4.1 t30 56.85 42.64 26.21 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 115.821 -0.627 . . . . 2.35 110.823 -179.337 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -143.37 149.72 38.1 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.009 0.433 . . . . 2.3 111.369 -174.554 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -130.49 143.8 50.99 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.143 -0.48 . . . . 1.06 110.271 176.083 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 560' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -120.61 129.09 53.59 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.011 -0.54 . . . . 0.45 110.062 178.791 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 15.2 tp -124.29 126.32 45.84 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.013 -0.54 . . . . 1.06 110.123 -175.525 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 562' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -100.65 138.95 37.01 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.253 -0.431 . . . . 1.85 110.075 -176.945 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 563' ' ' MET . . . . . 0.453 ' O ' ' HB1' ' A' ' 518' ' ' ALA . 21.6 mmt -109.61 164.09 12.86 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.108 -0.496 . . . . 1.16 111.274 -174.402 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 564' ' ' ALA . . . . . 0.497 ' HA ' ' CG2' ' A' ' 548' ' ' THR . . . -65.1 -46.78 79.64 Favored 'General case' 0 C--O 1.237 0.427 0 N-CA-C 111.958 0.355 . . . . 1.13 111.958 -178.35 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -133.61 161.16 35.4 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.878 -0.601 . . . . 1.44 109.545 -178.547 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 566' ' ' THR . . . . . 0.594 ' O ' ' HG2' ' A' ' 570' ' ' GLN . 14.7 t -63.64 -36.9 85.35 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 120.367 -0.533 . . . . 1.18 110.134 179.175 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -65.18 -31.77 73.12 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-O 120.877 0.37 . . . . 1.91 110.651 177.244 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 568' ' ' ALA . . . . . . . . . . . . . . . -62.2 -47.13 85.83 Favored 'General case' 0 N--CA 1.447 -0.625 0 N-CA-C 108.576 -0.898 . . . . 1.07 108.576 172.992 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . 0.518 ' HA ' ' SD ' ' A' ' 572' ' ' MET . . . -67.76 -39.29 84.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.042 -0.981 . . . . 1.06 112.028 -177.865 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 570' ' ' GLN . . . . . 0.594 ' HG2' ' O ' ' A' ' 566' ' ' THR . 23.4 mm-40 -62.51 -46.11 89.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.224 0.535 . . . . 1.35 110.055 178.422 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -62.22 -47.78 82.89 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.283 -0.871 . . . . 1.09 113.011 -167.228 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 572' ' ' MET . . . . . 0.518 ' SD ' ' HA ' ' A' ' 569' ' ' ALA . 0.5 OUTLIER -71.31 -41.84 69.41 Favored 'General case' 0 CA--C 1.518 -0.266 0 C-N-CA 119.902 -0.719 . . . . 1.11 110.544 -177.892 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 573' ' ' VAL . . . . . 0.505 ' CG1' ' HA ' ' A' ' 591' ' ' ARG . 91.3 t -67.37 -37.17 78.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.912 -0.585 . . . . 1.05 112.079 -174.968 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 574' ' ' GLN . . . . . 0.519 ' HG2' ' O ' ' A' ' 570' ' ' GLN . 11.5 mm-40 -59.48 -36.74 76.59 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.693 -0.403 . . . . 2.38 109.944 176.736 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -68.71 -48.61 63.42 Favored 'General case' 0 C--O 1.215 -0.757 0 CA-C-N 116.17 -0.468 . . . . 0.99 110.499 172.113 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 576' ' ' TYR . . . . . 0.456 ' CB ' ' HB ' ' A' ' 590' ' ' ILE . 25.0 m-85 -76.01 -16.87 59.89 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 113.859 1.059 . . . . 0.38 113.859 -171.141 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -78.74 -28.48 44.9 Favored 'General case' 0 C--N 1.315 -0.895 0 C-N-CA 119.655 -0.818 . . . . 1.86 110.179 173.721 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -96.83 -39.76 9.26 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.783 -0.644 . . . . 2.07 111.446 -179.392 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -133.51 80.48 57.09 Favored Pre-proline 0 C--N 1.322 -0.61 0 N-CA-C 108.96 -0.755 . . . . 2.57 108.96 176.406 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_exo -66.89 160.61 46.11 Favored 'Trans proline' 0 CA--C 1.531 0.356 0 C-N-CA 123.788 2.992 . . . . 0.21 113.445 -172.172 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -91.82 153.18 19.74 Favored 'General case' 0 CA--C 1.52 -0.174 0 CA-C-N 115.846 -0.615 . . . . 1.02 110.623 -173.194 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 582' ' ' ILE . . . . . 0.403 HG12 ' HG2' ' A' ' 587' ' ' LYS . 70.0 mt -114.53 134.92 55.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 112.844 0.683 . . . . 1.16 112.844 -169.85 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 583' ' ' ILE . . . . . . . . . . . . . 16.5 mt -122.37 126.9 74.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.58 -0.736 . . . . 1.42 109.505 168.282 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 59.23 35.75 23.57 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.078 -0.51 . . . . 1.7 111.647 177.351 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 76.8 7.28 86.08 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 121.108 -0.568 . . . . 0.69 113.092 177.207 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -120.75 135.83 55.04 Favored 'General case' 0 N--CA 1.442 -0.836 0 N-CA-C 109.832 -0.432 . . . . 1.93 109.832 179.864 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 587' ' ' LYS . . . . . 0.403 ' HG2' HG12 ' A' ' 582' ' ' ILE . 43.7 mtmt -82.4 127.28 33.11 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.08 -0.509 . . . . 2.64 111.969 -171.348 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 588' ' ' LEU . . . . . . . . . . . . . 38.4 mt -95.99 137.4 35.11 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.577 -0.738 . . . . 1.09 109.392 175.001 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 589' ' ' LEU . . . . . 0.589 ' HB3' ' SG ' ' A' ' 525' ' ' CYS . 46.6 tp -89.86 109.91 20.89 Favored 'General case' 0 C--N 1.311 -1.07 0 C-N-CA 119.724 -0.79 . . . . 1.1 108.958 173.012 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 590' ' ' ILE . . . . . 0.456 ' HB ' ' CB ' ' A' ' 576' ' ' TYR . 43.0 mt -97.52 115.63 37.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 108.199 -1.037 . . . . 1.04 108.199 177.758 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 591' ' ' ARG . . . . . 0.505 ' HA ' ' CG1' ' A' ' 573' ' ' VAL . 15.2 ptm180 -146.57 159.29 43.63 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.287 0.565 . . . . 3.66 112.406 -173.17 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 592' ' ' MET . . . . . . . . . . . . . 1.2 mmt -64.19 134.58 55.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.235 -0.893 . . . . 1.06 110.55 -175.331 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 32.3 t -87.9 134.01 33.79 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.07 0.462 . . . . 1.57 110.835 176.786 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 17.3 p -95.96 -0.29 50.89 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.663 0.744 . . . . 2.17 109.781 173.651 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 72.2 mtp180 -95.0 -36.69 11.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.194 -0.912 . . . . 3.39 111.345 -176.913 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 47.6 m-85 -122.22 132.48 54.46 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.721 0.296 . . . . 1.27 111.018 -178.784 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -92.07 -36.58 13.27 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.924 -0.58 . . . . 3.84 109.872 171.171 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -147.67 147.53 30.07 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.371 -0.831 . . . . 2.02 110.218 -179.856 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 599' ' ' LEU . . . . . . . . . . . . . 92.9 mt -92.49 122.63 35.11 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.021 -0.536 . . . . 1.09 110.417 -179.494 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -99.17 98.12 9.15 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.001 -0.545 . . . . 3.46 110.156 -179.485 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 601' ' ' LEU . . . . . 0.545 HD23 ' O ' ' A' ' 550' ' ' TYR . 34.4 mt -86.69 141.1 29.16 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.558 0.694 . . . . 1.47 111.659 -177.02 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 7.2 tmtm? -72.3 -22.42 61.2 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 114.457 -1.247 . . . . 5.81 109.466 174.152 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -82.97 157.58 66.07 Favored Pre-proline 0 C--N 1.323 -0.556 0 CA-C-N 115.168 -0.923 . . . . 6.08 109.939 178.673 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 604' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -58.14 144.39 95.23 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 122.31 2.007 . . . . 6.24 111.172 174.541 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 605' ' ' GLY . . . . . . . . . . . . . . . -76.04 54.65 3.08 Favored Glycine 0 CA--C 1.521 0.44 0 N-CA-C 114.291 0.477 . . . . 6.9 114.291 -171.102 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . 0.419 ' N ' ' HD2' ' A' ' 606' ' ' LYS . 1.1 mptm? 62.64 179.04 0.14 Allowed 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 121.502 0.668 . . . . 9.18 112.614 173.863 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -171.32 -33.49 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.081 -0.963 . . . . 9.69 109.574 176.713 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 42.9 t 63.97 -80.2 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.211 0 CA-C-N 115.449 -0.796 . . . . 9.96 111.366 178.638 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -131.15 -45.77 1.01 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.367 -0.379 . . . . 9.72 110.412 179.223 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -144.18 151.59 39.71 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.073 -0.512 . . . . 9.52 110.34 -179.752 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 48.5 mm -78.62 84.1 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.286 0.565 . . . . 8.52 110.031 179.223 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 612' ' ' ILE . . . . . 0.423 ' CD1' ' HA ' ' A' ' 620' ' ' GLU . 79.1 mt -113.04 95.2 3.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.661 -0.7 . . . . 9.1 109.475 177.842 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -81.2 56.78 2.96 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.918 -0.583 . . . . 10.72 111.144 -175.56 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -146.29 -67.87 0.28 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.683 -0.689 . . . . 10.41 110.365 177.294 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 615' ' ' ILE . . . . . . . . . . . . . 66.7 mt 65.72 -67.12 0.16 Allowed 'Isoleucine or valine' 0 CA--C 1.528 0.103 0 CA-C-N 115.629 -0.714 . . . . 8.92 111.861 -177.808 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 39.6 m170 -92.89 64.64 4.01 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.28 0.562 . . . . 7.47 109.879 179.378 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 36.0 t 173.61 -43.83 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 114.55 -1.204 . . . . 6.99 108.51 -176.361 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 618' ' ' GLN . . . . . . . . . . . . . 17.0 mm-40 -127.56 129.34 47.16 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.025 -0.989 . . . . 9.92 109.37 176.254 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 619' ' ' ARG . . . . . 0.528 ' NE ' ' HA ' ' A' ' 619' ' ' ARG . 3.2 mmp_? -69.82 141.45 53.3 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.127 0.489 . . . . 13.6 111.318 -177.353 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 620' ' ' GLU . . . . . 0.423 ' HA ' ' CD1' ' A' ' 612' ' ' ILE . 11.5 pt-20 -79.71 129.36 34.41 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.627 -0.715 . . . . 11.34 110.364 178.455 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.854 -0.593 . . . . 11.92 110.871 -177.266 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.648 0 N-CA-C 112.142 -0.383 . . . . 7.0 112.142 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . -143.69 -46.68 0.28 Allowed 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 110.473 -0.195 . . . . 5.89 110.473 -179.065 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 1.3 mpt? 57.95 44.7 19.33 Favored 'General case' 0 C--O 1.239 0.52 0 CA-C-O 121.531 0.682 . . . . 6.52 110.4 -179.263 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -96.85 169.36 9.9 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.011 -0.995 . . . . 2.69 110.266 -179.909 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 514' ' ' GLN . . . . . 0.457 ' HB3' ' O ' ' A' ' 518' ' ' ALA . 45.9 mt-30 63.53 -91.22 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.188 0 O-C-N 123.773 0.67 . . . . 5.85 110.369 -176.779 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 27.5 mmm180 65.91 179.42 0.2 Allowed 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.788 -0.642 . . . . 7.19 111.32 177.703 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 516' ' ' LYS . . . . . 0.583 ' N ' ' HE2' ' A' ' 516' ' ' LYS . 0.4 OUTLIER 62.24 23.14 13.66 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 116.137 -0.483 . . . . 5.61 111.0 -178.985 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . 88.57 -31.04 5.04 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.881 -0.675 . . . . 3.59 113.1 177.436 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 518' ' ' ALA . . . . . 0.457 ' O ' ' HB3' ' A' ' 514' ' ' GLN . . . -125.7 -87.32 0.61 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 111.766 0.284 . . . . 2.73 111.766 -175.84 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 76.92 140.22 1.12 Allowed Glycine 0 CA--C 1.52 0.349 0 C-N-CA 120.839 -0.696 . . . . 2.08 112.026 -174.812 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 82.0 mtt180 -147.1 150.77 35.66 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 122.558 -0.378 . . . . 3.0 110.943 -179.462 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 71.8 t -100.61 134.09 41.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.992 -0.549 . . . . 1.08 110.454 175.475 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 522' ' ' VAL . . . . . . . . . . . . . 58.5 t -109.31 134.27 51.88 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 N-CA-C 109.128 -0.693 . . . . 1.07 109.128 174.978 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 11.6 p-80 -110.73 140.35 45.2 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.357 0.599 . . . . 2.21 110.831 -178.447 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 524' ' ' ILE . . . . . 0.426 HD13 HG13 ' A' ' 537' ' ' VAL . 79.0 mt -112.95 130.03 67.54 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.876 0 CA-C-N 115.285 -0.87 . . . . 1.06 110.735 -177.153 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 45.9 m -114.12 174.44 5.94 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.845 -0.616 . . . . 2.22 110.432 -178.337 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 68.8 27.64 5.68 Favored 'General case' 0 N--CA 1.468 0.441 0 O-C-N 123.593 0.558 . . . . 1.74 111.131 178.192 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 79.2 mt -84.51 120.26 74.0 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 116.217 -0.447 . . . . 1.09 111.107 -177.864 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 528' ' ' PRO . . . . . 0.523 ' HD2' ' SG ' ' A' ' 532' ' ' CYS . 37.1 Cg_endo -69.1 132.88 25.37 Favored 'Trans proline' 0 C--O 1.238 0.485 0 C-N-CA 122.566 2.178 . . . . 0.88 112.059 174.383 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -68.73 132.09 46.26 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.575 -0.739 . . . . 2.98 111.371 -179.386 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 79.38 -18.28 6.98 Favored Glycine 0 CA--C 1.517 0.191 0 CA-C-N 116.172 -0.467 . . . . 0.97 113.594 175.815 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 15.6 m -89.29 -34.33 16.63 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.889 0.375 . . . . 1.63 110.952 -177.757 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 532' ' ' CYS . . . . . 0.523 ' SG ' ' HD2' ' A' ' 528' ' ' PRO . 55.5 m -86.02 137.24 32.85 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.253 -0.43 . . . . 1.73 110.821 -179.934 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 69.6 p -105.78 170.39 7.93 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.677 -0.49 . . . . 1.27 109.677 175.974 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -60.19 -43.42 95.91 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.313 0.578 . . . . 1.32 109.599 178.298 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -59.77 -43.52 94.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 114.932 -1.031 . . . . 2.62 111.661 -177.418 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 536' ' ' ASP . . . . . 0.545 ' O ' ' HG ' ' A' ' 540' ' ' LEU . 38.6 m-20 -59.56 -48.56 81.2 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 120.848 0.356 . . . . 0.52 111.237 -176.283 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 537' ' ' VAL . . . . . 0.426 HG13 HD13 ' A' ' 524' ' ' ILE . 45.7 t -63.01 -45.72 98.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.774 -0.648 . . . . 1.07 110.537 -176.041 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 88.0 mt -66.91 -42.74 89.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.732 -0.667 . . . . 1.07 110.651 -179.812 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 539' ' ' ASN . . . . . 0.502 ' O ' ' HD3' ' A' ' 543' ' ' PRO . 0.9 OUTLIER -65.36 -28.3 69.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.074 -0.512 . . . . 1.74 112.132 -178.488 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 540' ' ' LEU . . . . . 0.545 ' HG ' ' O ' ' A' ' 536' ' ' ASP . 55.7 mt -73.58 -34.49 65.13 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.856 -0.338 . . . . 1.08 111.817 -179.538 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -77.22 -39.93 25.6 Favored Glycine 0 N--CA 1.453 -0.186 0 C-N-CA 120.287 -0.959 . . . . 0.26 112.329 -179.531 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 542' ' ' LEU . . . . . 0.582 ' HA ' ' O ' ' A' ' 545' ' ' GLY . 81.0 mt -49.01 -44.11 70.33 Favored Pre-proline 0 CA--C 1.546 0.793 0 N-CA-C 115.106 1.521 . . . . 1.11 115.106 -174.28 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 543' ' ' PRO . . . . . 0.502 ' HD3' ' O ' ' A' ' 539' ' ' ASN . 34.3 Cg_exo -47.98 -34.27 22.42 Favored 'Trans proline' 0 C--N 1.358 1.071 0 C-N-CA 122.501 2.134 . . . . 0.22 115.792 -173.553 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 544' ' ' PHE . . . . . 0.495 ' HB2' ' CB ' ' A' ' 572' ' ' MET . 95.5 m-85 -111.44 -18.74 12.8 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 119.824 -0.751 . . . . 0.42 112.854 177.367 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 545' ' ' GLY . . . . . 0.582 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . -148.43 149.61 21.67 Favored Glycine 0 C--O 1.224 -0.482 0 C-N-CA 120.821 -0.704 . . . . 1.14 113.104 178.713 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 546' ' ' LYS . . . . . 0.527 ' HG2' ' O ' ' A' ' 616' ' ' HIS . 23.5 tptm -85.7 137.18 33.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.012 0.434 . . . . 2.18 111.598 -177.937 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 547' ' ' VAL . . . . . 0.515 ' HA ' ' O ' ' A' ' 562' ' ' GLU . 97.4 t -90.1 136.66 23.25 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 CA-C-N 115.182 -0.917 . . . . 1.06 111.215 179.687 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 548' ' ' THR . . . . . 0.504 HG21 ' CG ' ' A' ' 616' ' ' HIS . 26.5 p -104.38 -41.58 5.71 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.75 -0.659 . . . . 1.05 112.044 176.46 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 61.8 m-80 -147.81 165.21 31.25 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.267 -0.642 . . . . 1.46 109.267 -178.231 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 550' ' ' TYR . . . . . 0.484 ' O ' HD22 ' A' ' 601' ' ' LEU . 12.1 p90 -145.16 149.0 34.2 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.706 -0.397 . . . . 0.99 110.859 176.58 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 23.7 mt -136.45 123.54 32.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 109.135 -0.691 . . . . 1.19 109.135 174.215 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 552' ' ' LEU . . . . . . . . . . . . . 84.1 mt -106.64 111.31 23.8 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 116.028 -0.533 . . . . 1.21 111.387 -176.484 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 26.2 mmt -107.93 83.89 1.87 Allowed 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.39 -0.596 . . . . 1.46 109.39 174.121 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -68.32 -30.75 69.81 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.524 -0.762 . . . . 1.98 110.597 -176.591 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 68.4 p -60.65 -31.52 70.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.966 -0.561 . . . . 1.26 111.261 179.144 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 70.8 p -98.39 9.23 43.57 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.073 0.463 . . . . 1.41 110.984 178.371 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 10.7 m120 55.11 40.37 31.83 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 115.195 -0.911 . . . . 2.35 111.116 178.045 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -148.86 162.13 40.44 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.009 0.433 . . . . 2.3 110.601 -176.55 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -137.63 144.47 41.92 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.973 -0.558 . . . . 1.06 110.347 179.943 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 560' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -114.45 126.84 55.42 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.181 -0.463 . . . . 0.45 109.856 178.239 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 15.3 tp -126.27 126.44 44.0 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.366 -0.605 . . . . 1.06 109.366 -176.126 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 562' ' ' GLU . . . . . 0.515 ' O ' ' HA ' ' A' ' 547' ' ' VAL . 36.0 tt0 -99.45 138.76 36.08 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.555 0.217 . . . . 1.85 110.921 -173.013 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 563' ' ' MET . . . . . 0.682 ' HE2' ' SD ' ' A' ' 572' ' ' MET . 15.7 mmt -113.62 137.16 51.98 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.018 -0.537 . . . . 1.16 110.71 -176.1 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -65.7 -29.78 70.37 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-N 115.155 -0.93 . . . . 1.13 111.965 -176.546 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 565' ' ' TYR . . . . . 0.418 ' CE2' ' HG2' ' A' ' 516' ' ' LYS . 54.4 m-85 -121.62 141.87 50.68 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 116.119 -0.491 . . . . 1.44 109.819 -176.437 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 566' ' ' THR . . . . . 0.446 ' O ' ' HG3' ' A' ' 570' ' ' GLN . 8.0 t -64.33 -35.53 81.16 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.542 -0.54 . . . . 1.18 109.542 175.649 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -66.15 -38.6 88.5 Favored 'General case' 0 CA--C 1.515 -0.398 0 CA-C-N 115.879 -0.6 . . . . 1.91 110.496 175.973 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 568' ' ' ALA . . . . . 0.554 ' HB3' ' CA ' ' A' ' 545' ' ' GLY . . . -62.18 -44.39 96.71 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.652 -0.704 . . . . 1.07 110.422 179.469 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -67.75 -46.44 72.09 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.69 -0.686 . . . . 1.06 111.509 -179.313 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 570' ' ' GLN . . . . . 0.507 ' O ' ' HG2' ' A' ' 574' ' ' GLN . 76.3 mt-30 -68.14 -46.0 72.03 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.415 -0.357 . . . . 1.35 111.545 -176.828 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -62.25 -42.17 99.09 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-N 116.309 -0.405 . . . . 1.09 111.602 -174.301 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 572' ' ' MET . . . . . 0.682 ' SD ' ' HE2' ' A' ' 563' ' ' MET . 15.8 ptp -65.88 -45.06 83.47 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 116.341 -0.39 . . . . 1.11 110.307 -178.978 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 573' ' ' VAL . . . . . 0.499 HG12 ' HG2' ' A' ' 592' ' ' MET . 98.1 t -66.94 -36.84 78.15 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.513 0 CA-C-N 116.246 -0.433 . . . . 1.05 111.504 -177.059 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 574' ' ' GLN . . . . . 0.507 ' HG2' ' O ' ' A' ' 570' ' ' GLN . 15.9 mm100 -58.85 -38.12 78.01 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.511 -0.552 . . . . 2.38 109.511 178.127 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 72.5 t80 -69.38 -49.65 53.45 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.794 -0.639 . . . . 0.99 111.079 172.984 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 576' ' ' TYR . . . . . 0.472 ' CE1' ' HB2' ' A' ' 572' ' ' MET . 20.6 m-85 -73.4 -16.73 61.32 Favored 'General case' 0 C--O 1.222 -0.36 0 N-CA-C 113.012 0.745 . . . . 0.38 113.012 -172.109 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 577' ' ' GLN . . . . . 0.573 ' NE2' ' HB3' ' A' ' 591' ' ' ARG . 25.6 mm-40 -76.14 -29.26 57.73 Favored 'General case' 0 C--N 1.319 -0.723 0 O-C-N 121.872 -0.517 . . . . 1.86 110.747 173.909 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -98.06 -39.54 8.87 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.86 0.362 . . . . 2.07 111.258 178.622 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 59.2 mtpt -130.0 80.57 70.84 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-N 116.166 -0.47 . . . . 2.57 110.125 177.112 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_exo -71.2 160.1 50.02 Favored 'Trans proline' 0 C--O 1.233 0.266 0 C-N-CA 123.553 2.836 . . . . 0.21 112.195 -176.005 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -92.31 152.58 19.72 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.353 -0.385 . . . . 1.02 110.188 -175.432 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 60.7 mt -119.6 129.67 75.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 N-CA-C 111.991 0.367 . . . . 1.16 111.991 -170.327 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 583' ' ' ILE . . . . . 0.444 HD12 HD11 ' A' ' 588' ' ' LEU . 31.7 mt -121.66 120.63 62.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.052 -0.522 . . . . 1.42 110.582 174.544 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 584' ' ' ASN . . . . . 0.473 HD21 ' N ' ' A' ' 584' ' ' ASN . 0.8 OUTLIER 59.32 34.28 22.85 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 116.245 -0.434 . . . . 1.7 111.162 177.602 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 81.78 4.39 90.34 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.785 -0.722 . . . . 0.69 112.606 179.682 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 42.2 mm-40 -102.45 125.9 49.31 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.999 -0.371 . . . . 1.93 109.999 178.095 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 61.4 mttp -79.62 112.32 16.77 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.936 -0.394 . . . . 2.64 109.936 178.521 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 588' ' ' LEU . . . . . 0.45 HD13 ' CD1' ' A' ' 540' ' ' LEU . 22.9 mt -85.82 121.06 27.94 Favored 'General case' 0 CA--C 1.501 -0.91 0 CA-C-N 115.799 -0.637 . . . . 1.09 109.767 179.402 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 24.9 tp -84.65 107.34 16.81 Favored 'General case' 0 N--CA 1.43 -1.428 0 N-CA-C 108.128 -1.064 . . . . 1.1 108.128 174.747 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 590' ' ' ILE . . . . . 0.422 ' HB ' ' CB ' ' A' ' 576' ' ' TYR . 34.8 mt -96.3 116.12 37.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 108.286 -1.005 . . . . 1.04 108.286 179.697 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 591' ' ' ARG . . . . . 0.573 ' HB3' ' NE2' ' A' ' 577' ' ' GLN . 26.6 ptt180 -142.37 158.97 43.13 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 113.775 1.028 . . . . 3.66 113.775 -172.143 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 592' ' ' MET . . . . . 0.499 ' HG2' HG12 ' A' ' 573' ' ' VAL . 0.1 OUTLIER -65.34 131.85 47.51 Favored 'General case' 0 N--CA 1.461 0.113 0 CA-C-N 114.315 -1.311 . . . . 1.06 111.286 -174.736 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 20.6 m -87.64 128.65 35.28 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.77 0.319 . . . . 1.57 111.078 176.32 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 11.6 p -98.89 -17.77 18.21 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.166 0.508 . . . . 2.17 109.974 171.531 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 76.2 mtp180 -79.32 -41.98 26.75 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.717 -0.674 . . . . 3.39 111.133 -179.874 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -109.88 129.69 55.62 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.903 -0.319 . . . . 1.27 110.673 -178.011 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp -95.17 -39.71 9.96 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.077 -0.51 . . . . 3.84 110.284 168.33 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 598' ' ' GLU . . . . . 0.421 ' HB3' ' CD ' ' A' ' 514' ' ' GLN . 0.0 OUTLIER -134.63 145.79 48.94 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.545 -0.752 . . . . 2.02 111.536 -175.778 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 599' ' ' LEU . . . . . . . . . . . . . 94.8 mt -95.35 103.61 15.48 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.664 -0.698 . . . . 1.09 110.084 171.225 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -86.36 83.95 7.56 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 116.122 -0.49 . . . . 3.46 110.43 -177.261 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 601' ' ' LEU . . . . . 0.484 HD22 ' O ' ' A' ' 550' ' ' TYR . 58.1 mt -66.64 97.72 0.47 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.86 -0.609 . . . . 1.47 110.634 178.505 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.54 -10.38 56.06 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.782 -0.644 . . . . 5.81 109.739 177.104 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 47.3 mtmt -80.75 131.34 60.86 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 115.449 -0.796 . . . . 6.08 109.858 175.758 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 604' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -73.23 104.24 1.75 Allowed 'Trans proline' 0 N--CA 1.461 -0.431 0 C-N-CA 122.46 2.107 . . . . 6.24 111.672 176.444 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 605' ' ' GLY . . . . . . . . . . . . . . . -85.71 -97.29 0.75 Allowed Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.758 -0.734 . . . . 6.9 112.177 -179.431 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 30.9 mmtp 57.83 88.73 0.06 Allowed 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 121.409 0.623 . . . . 9.18 111.526 179.644 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -95.08 165.77 12.26 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.384 -0.826 . . . . 9.69 109.977 -178.919 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 46.2 t -50.14 -46.85 24.87 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 CA-C-O 121.088 0.471 . . . . 9.96 109.893 174.585 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -72.18 110.61 6.75 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 109.015 -0.735 . . . . 9.72 109.015 173.345 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -46.15 107.24 0.1 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.317 1.011 . . . . 9.52 113.261 -172.97 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 61.3 mt -79.29 96.64 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 N-CA-C 108.495 -0.928 . . . . 8.52 108.495 171.82 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 612' ' ' ILE . . . . . . . . . . . . . 34.5 mt -81.42 102.87 7.73 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.732 0 CA-C-N 116.089 -0.505 . . . . 9.1 110.243 -174.168 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 -85.37 -16.67 39.11 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.754 -0.657 . . . . 10.72 110.422 -178.598 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -82.46 -77.99 0.22 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.025 -0.534 . . . . 10.41 110.04 177.269 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 615' ' ' ILE . . . . . . . . . . . . . 68.5 mt -77.32 108.46 10.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 121.059 0.457 . . . . 8.92 110.161 177.547 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 616' ' ' HIS . . . . . 0.527 ' O ' ' HG2' ' A' ' 546' ' ' LYS . 65.7 m-70 -95.64 0.78 53.15 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.393 -0.367 . . . . 7.47 111.275 -179.522 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 5.6 m -83.23 170.48 14.62 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.724 -0.473 . . . . 6.99 109.724 175.602 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 618' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 63.47 -171.44 0.17 Allowed 'General case' 0 CA--C 1.53 0.202 0 CA-C-O 121.258 0.551 . . . . 9.92 111.707 175.748 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 24.5 mmt85 -121.89 84.01 2.18 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.702 -0.681 . . . . 13.6 109.321 177.641 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 620' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 64.26 -177.01 0.16 Allowed 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.702 -0.681 . . . . 11.34 110.49 -174.356 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 81.2 mtt180 . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.833 -0.603 . . . . 11.92 109.887 179.769 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.624 0 N-CA-C 111.752 -0.539 . . . . 7.0 111.752 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . -78.37 88.79 4.37 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.897 0.379 . . . . 5.89 110.278 179.917 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 19.7 ptp -154.49 172.04 18.43 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.992 -0.549 . . . . 6.52 110.253 -178.046 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -98.47 -137.11 0.29 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.335 -0.393 . . . . 2.69 111.47 -177.67 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 514' ' ' GLN . . . . . 0.618 ' HG2' ' O ' ' A' ' 518' ' ' ALA . 25.9 mt-30 69.29 7.33 6.17 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 123.377 0.671 . . . . 5.85 110.782 -175.944 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 32.6 mmt180 -66.56 -40.05 88.82 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.786 -0.643 . . . . 7.19 110.764 -178.181 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 516' ' ' LYS . . . . . 0.574 ' HB2' ' O ' ' A' ' 564' ' ' ALA . 12.7 mptt -85.66 -0.41 55.07 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.644 -0.707 . . . . 5.61 111.075 178.624 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . 136.62 -91.13 0.22 Allowed Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.306 -0.949 . . . . 3.59 113.041 177.964 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 518' ' ' ALA . . . . . 0.618 ' O ' ' HG2' ' A' ' 514' ' ' GLN . . . -74.59 -65.44 0.86 Allowed 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 111.991 0.367 . . . . 2.73 111.991 -173.313 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 72.1 101.4 0.06 OUTLIER Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.524 -0.846 . . . . 2.08 111.206 -172.848 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 520' ' ' ARG . . . . . 0.662 ' HA ' ' O ' ' A' ' 597' ' ' LYS . 58.9 mtp180 -136.1 141.33 44.18 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.965 0.412 . . . . 3.0 110.405 -178.532 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 65.4 t -95.21 134.44 32.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.657 -0.701 . . . . 1.08 111.715 -174.312 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 522' ' ' VAL . . . . . . . . . . . . . 95.7 t -104.68 134.37 46.24 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-N 114.954 -1.021 . . . . 1.07 108.939 172.596 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 523' ' ' HIS . . . . . 0.419 ' CE1' ' HG3' ' A' ' 591' ' ' ARG . 5.8 p-80 -108.5 136.89 47.36 Favored 'General case' 0 C--N 1.318 -0.765 0 C-N-CA 120.185 -0.606 . . . . 2.21 109.709 179.582 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 524' ' ' ILE . . . . . 0.401 HD13 HG12 ' A' ' 537' ' ' VAL . 76.0 mt -113.99 132.32 63.37 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.949 0 CA-C-N 115.859 -0.61 . . . . 1.06 110.293 -179.237 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 10.9 p -126.63 176.6 7.09 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.704 -0.68 . . . . 2.22 110.426 -176.943 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 14.5 m120 69.61 26.69 4.96 Favored 'General case' 0 N--CA 1.466 0.348 0 O-C-N 123.78 0.675 . . . . 1.74 110.381 -177.501 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 87.7 mt -85.54 120.9 73.46 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 115.774 -0.648 . . . . 1.09 110.844 -176.289 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 528' ' ' PRO . . . . . 0.654 ' HD2' ' SG ' ' A' ' 532' ' ' CYS . 16.9 Cg_exo -68.67 131.08 22.0 Favored 'Trans proline' 0 C--O 1.236 0.412 0 C-N-CA 122.214 1.942 . . . . 0.88 111.512 172.295 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -69.4 134.93 49.6 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.847 -0.615 . . . . 2.98 111.433 179.844 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 84.6 -18.34 25.48 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 121.16 -0.543 . . . . 0.97 112.954 176.781 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 5.8 m -94.51 -35.29 12.35 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.108 0.48 . . . . 1.63 110.871 -179.198 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 532' ' ' CYS . . . . . 0.654 ' SG ' ' HD2' ' A' ' 528' ' ' PRO . 35.9 m -86.19 130.32 34.56 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.854 -0.612 . . . . 1.73 110.894 -177.998 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 80.6 p -108.19 169.99 8.29 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.556 -0.535 . . . . 1.27 109.556 174.586 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 534' ' ' GLU . . . . . 0.408 ' HG3' ' N ' ' A' ' 535' ' ' ASN . 7.9 pt-20 -61.37 -37.9 85.07 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.936 -0.765 . . . . 1.32 108.936 174.15 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 535' ' ' ASN . . . . . 0.408 ' N ' ' HG3' ' A' ' 534' ' ' GLU . 4.4 m-20 -59.31 -44.61 92.53 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.148 -0.933 . . . . 2.62 110.712 179.612 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 536' ' ' ASP . . . . . 0.674 ' O ' ' HG ' ' A' ' 540' ' ' LEU . 30.3 m-20 -68.23 -48.07 66.11 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.514 -0.474 . . . . 0.52 111.121 -177.586 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 537' ' ' VAL . . . . . 0.401 HG12 HD13 ' A' ' 524' ' ' ILE . 77.2 t -63.56 -46.01 96.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.146 -0.479 . . . . 1.07 110.901 -176.717 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 97.7 mt -67.49 -45.35 85.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.01 -0.541 . . . . 1.07 111.25 -179.805 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 539' ' ' ASN . . . . . 0.534 ' O ' ' HD3' ' A' ' 543' ' ' PRO . 79.8 m-20 -62.77 -27.63 69.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.29 -0.414 . . . . 1.74 112.036 -178.461 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 540' ' ' LEU . . . . . 0.674 ' HG ' ' O ' ' A' ' 536' ' ' ASP . 45.5 mt -71.17 -35.65 71.71 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 111.992 0.367 . . . . 1.08 111.992 -179.631 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -79.25 -34.36 33.07 Favored Glycine 0 N--CA 1.455 -0.069 0 C-N-CA 120.336 -0.935 . . . . 0.26 112.199 -179.12 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 542' ' ' LEU . . . . . 0.506 ' HA ' ' O ' ' A' ' 545' ' ' GLY . 62.2 mt -48.33 -46.4 67.96 Favored Pre-proline 0 CA--C 1.545 0.783 0 N-CA-C 114.87 1.433 . . . . 1.11 114.87 -176.164 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 543' ' ' PRO . . . . . 0.534 ' HD3' ' O ' ' A' ' 539' ' ' ASN . 41.7 Cg_exo -47.51 -34.05 19.01 Favored 'Trans proline' 0 C--N 1.357 1.021 0 C-N-CA 122.498 2.132 . . . . 0.22 115.79 -172.9 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 544' ' ' PHE . . . . . 0.41 ' HB2' ' CB ' ' A' ' 572' ' ' MET . 95.7 m-85 -111.12 -17.81 13.15 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 113.059 0.762 . . . . 0.42 113.059 178.527 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 545' ' ' GLY . . . . . 0.506 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . -150.76 144.32 11.67 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.952 -0.642 . . . . 1.14 112.295 176.153 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 55.8 tttp -81.74 143.98 31.44 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.129 0.49 . . . . 2.18 111.499 -177.408 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 83.3 t -97.06 136.68 26.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 114.998 -1.001 . . . . 1.06 110.883 -178.553 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 548' ' ' THR . . . . . 0.573 ' OG1' ' HG3' ' A' ' 562' ' ' GLU . 75.9 p -106.15 -38.52 6.25 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.218 -0.446 . . . . 1.05 110.978 177.83 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 46.7 m-80 -147.64 166.61 26.89 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 109.65 -0.5 . . . . 1.46 109.65 -176.546 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 10.1 p90 -152.05 151.47 31.16 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.895 -0.322 . . . . 0.99 111.05 179.282 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 551' ' ' ILE . . . . . 0.418 HD12 HD21 ' A' ' 599' ' ' LEU . 19.7 mt -136.22 124.22 35.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.12 -0.491 . . . . 1.19 109.691 174.043 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 552' ' ' LEU . . . . . . . . . . . . . 68.5 mt -109.02 111.67 23.44 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.828 0.347 . . . . 1.21 111.333 -179.371 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 62.1 mtt -108.89 86.96 2.38 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.235 0.54 . . . . 1.46 110.123 175.09 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.22 -30.08 69.06 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.862 -0.608 . . . . 1.98 110.397 -177.133 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 70.1 p -63.32 -34.76 78.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.704 -0.68 . . . . 1.26 111.783 -178.488 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 556' ' ' THR . . . . . 0.403 ' O ' ' HG3' ' A' ' 558' ' ' GLN . 76.0 p -98.06 3.51 49.3 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.999 0.428 . . . . 1.41 110.832 -178.729 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 57.87 42.4 23.19 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.117 -0.947 . . . . 2.35 110.728 -178.121 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 558' ' ' GLN . . . . . 0.403 ' HG3' ' O ' ' A' ' 556' ' ' THR . 49.1 mt-30 -141.87 148.97 39.62 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.207 -0.451 . . . . 2.3 110.557 -176.803 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -129.93 143.56 50.87 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 116.304 -0.407 . . . . 1.06 110.085 176.946 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 560' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -120.79 126.4 50.03 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.198 -0.455 . . . . 0.45 109.871 -179.974 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 14.2 tp -121.84 125.41 46.4 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.847 -0.615 . . . . 1.06 109.776 -175.696 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 562' ' ' GLU . . . . . 0.573 ' HG3' ' OG1' ' A' ' 548' ' ' THR . 8.8 tp10 -100.01 137.73 38.06 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.092 -0.504 . . . . 1.85 110.326 -174.201 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 563' ' ' MET . . . . . 0.617 ' HE2' ' SD ' ' A' ' 572' ' ' MET . 19.3 mmt -113.38 161.71 16.96 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.252 0.549 . . . . 1.16 111.795 -169.901 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 564' ' ' ALA . . . . . 0.574 ' O ' ' HB2' ' A' ' 516' ' ' LYS . . . -75.88 -46.71 28.73 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.743 -0.662 . . . . 1.13 111.642 -179.11 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -120.71 155.76 33.2 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.434 -0.348 . . . . 1.44 110.157 -176.558 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 566' ' ' THR . . . . . 0.596 ' HB ' ' CB ' ' A' ' 518' ' ' ALA . 11.4 t -63.49 -39.59 94.86 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 110.108 -0.33 . . . . 1.18 110.108 175.163 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -66.43 -33.81 76.55 Favored 'General case' 0 C--O 1.224 -0.284 0 CA-C-N 116.32 -0.4 . . . . 1.91 110.665 178.278 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 568' ' ' ALA . . . . . 0.404 ' HB3' ' CA ' ' A' ' 545' ' ' GLY . . . -62.04 -45.65 92.63 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.013 0.435 . . . . 1.07 110.191 179.446 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -68.29 -46.45 70.3 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.535 -0.757 . . . . 1.06 111.62 -178.965 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 570' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -68.2 -45.97 71.92 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.61 -0.268 . . . . 1.35 111.403 -177.373 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -62.31 -42.16 99.14 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-N 116.308 -0.405 . . . . 1.09 111.386 -175.636 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 572' ' ' MET . . . . . 0.617 ' SD ' ' HE2' ' A' ' 563' ' ' MET . 16.3 ptp -66.76 -46.31 75.77 Favored 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 120.618 -0.433 . . . . 1.11 110.043 179.367 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 573' ' ' VAL . . . . . 0.557 ' CG1' ' HA ' ' A' ' 591' ' ' ARG . 45.8 t -66.93 -42.66 89.14 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.527 0 N-CA-C 112.175 0.435 . . . . 1.05 112.175 -173.985 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -61.35 -35.41 77.35 Favored 'General case' 0 C--N 1.319 -0.728 0 C-N-CA 120.266 -0.574 . . . . 2.38 110.042 178.039 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 55.9 t80 -66.43 -46.39 76.63 Favored 'General case' 0 C--O 1.216 -0.681 0 CA-C-N 116.018 -0.537 . . . . 0.99 110.299 172.971 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 576' ' ' TYR . . . . . 0.453 ' CE1' ' HB2' ' A' ' 572' ' ' MET . 21.1 m-85 -76.72 -17.34 59.15 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 112.629 0.603 . . . . 0.38 112.629 -175.59 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -78.51 -27.22 46.07 Favored 'General case' 0 C--N 1.32 -0.709 0 O-C-N 121.86 -0.525 . . . . 1.86 110.217 175.307 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -97.74 -39.15 9.19 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.997 -0.547 . . . . 2.07 110.873 177.429 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -130.61 82.42 64.92 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 115.732 -0.667 . . . . 2.57 109.519 176.918 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_exo -72.45 160.64 46.31 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 123.68 2.92 . . . . 0.21 113.223 -172.89 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -92.49 152.9 19.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.796 -0.638 . . . . 1.02 110.415 -175.356 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 582' ' ' ILE . . . . . 0.435 HG12 ' HG2' ' A' ' 587' ' ' LYS . 33.9 mt -120.93 133.0 69.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 112.512 0.56 . . . . 1.16 112.512 -168.212 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 583' ' ' ILE . . . . . . . . . . . . . 42.2 mt -122.19 119.55 58.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 115.993 -0.549 . . . . 1.42 110.055 171.248 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 56.16 35.6 25.97 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 112.132 0.419 . . . . 1.7 112.132 177.396 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 85.71 3.48 86.03 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.611 -0.804 . . . . 0.69 112.751 178.364 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 586' ' ' GLU . . . . . 0.403 ' O ' ' HA ' ' A' ' 582' ' ' ILE . 20.0 mm-40 -102.14 125.69 48.9 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.718 -0.475 . . . . 1.93 109.718 177.402 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 587' ' ' LYS . . . . . 0.435 ' HG2' HG12 ' A' ' 582' ' ' ILE . 38.1 mtmm -86.09 107.61 17.91 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.809 -0.441 . . . . 2.64 109.809 179.189 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 588' ' ' LEU . . . . . . . . . . . . . 38.8 mt -81.83 131.4 35.26 Favored 'General case' 0 CA--C 1.505 -0.762 0 CA-C-N 116.022 -0.535 . . . . 1.09 110.113 -178.027 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 34.6 tp -83.64 107.62 16.2 Favored 'General case' 0 N--CA 1.434 -1.24 0 N-CA-C 108.414 -0.958 . . . . 1.1 108.414 171.53 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 590' ' ' ILE . . . . . . . . . . . . . 59.6 mt -95.88 115.18 34.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 N-CA-C 107.791 -1.188 . . . . 1.04 107.791 176.141 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 591' ' ' ARG . . . . . 0.557 ' HA ' ' CG1' ' A' ' 573' ' ' VAL . 20.4 ptt180 -143.88 161.39 38.81 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.708 0.633 . . . . 3.66 112.708 -171.871 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 592' ' ' MET . . . . . 0.45 ' HG2' HG12 ' A' ' 573' ' ' VAL . 0.3 OUTLIER -63.28 139.27 58.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.377 -0.828 . . . . 1.06 110.63 -174.429 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 31.3 t -87.16 127.05 35.15 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 110.053 -0.351 . . . . 1.57 110.053 177.373 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 21.1 p -93.71 -18.25 22.32 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.114 -0.494 . . . . 2.17 110.761 178.076 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -84.04 -41.81 16.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.044 -0.525 . . . . 3.39 110.972 -178.309 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -108.06 133.39 52.42 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 110.032 -0.358 . . . . 1.27 110.032 -179.44 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 597' ' ' LYS . . . . . 0.662 ' O ' ' HA ' ' A' ' 520' ' ' ARG . 12.2 ttpp -91.85 -41.64 10.52 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.402 -0.592 . . . . 3.84 109.402 172.568 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 598' ' ' GLU . . . . . 0.424 ' HA ' ' OE2' ' A' ' 562' ' ' GLU . 0.0 OUTLIER -146.19 149.9 34.83 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.575 -0.739 . . . . 2.02 110.419 179.682 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 599' ' ' LEU . . . . . 0.418 HD21 HD12 ' A' ' 551' ' ' ILE . 37.0 mt -92.37 115.39 28.05 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.192 0.52 . . . . 1.09 112.196 -177.778 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 70.0 mt-30 -102.97 103.34 13.44 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 107.736 -1.209 . . . . 3.46 107.736 168.371 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 44.2 mt -63.93 143.15 58.08 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.399 0.619 . . . . 1.47 111.86 -171.279 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 55.3 mttm -100.89 6.4 43.66 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.111 -0.95 . . . . 5.81 109.702 179.819 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 28.6 mtpp -108.47 148.45 37.7 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-N 115.464 -0.789 . . . . 6.08 109.831 -178.45 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 604' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -74.72 64.49 5.78 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.992 2.461 . . . . 6.24 113.179 -176.728 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 605' ' ' GLY . . . . . 0.435 ' O ' ' HB2' ' A' ' 606' ' ' LYS . . . -154.87 171.9 33.22 Favored Glycine 0 N--CA 1.447 -0.615 0 N-CA-C 111.038 -0.825 . . . . 6.9 111.038 176.896 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . 0.435 ' HB2' ' O ' ' A' ' 605' ' ' GLY . 68.8 mmtt 71.56 143.89 0.06 Allowed 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 121.421 0.629 . . . . 9.18 112.535 178.522 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 5.7 t30 60.95 80.66 0.21 Allowed 'General case' 0 C--O 1.233 0.234 0 CA-C-N 114.832 -1.076 . . . . 9.69 111.776 173.818 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 59.1 t -69.71 -49.12 60.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 108.975 -0.75 . . . . 9.96 108.975 172.997 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -130.61 -60.25 0.99 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.25 -0.887 . . . . 9.72 109.243 171.395 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -171.86 127.32 0.6 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.504 -0.771 . . . . 9.52 110.206 176.826 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 37.2 mm -80.19 77.49 0.93 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.505 0 CA-C-O 121.237 0.541 . . . . 8.52 109.738 177.62 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 612' ' ' ILE . . . . . . . . . . . . . 82.7 mt -122.48 96.71 4.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.77 -0.65 . . . . 9.1 110.706 -178.735 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -109.01 -8.66 15.16 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.134 -0.484 . . . . 10.72 109.969 178.285 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 36.5 m-20 -150.72 109.07 3.77 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 108.252 -1.018 . . . . 10.41 108.252 -179.353 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 615' ' ' ILE . . . . . . . . . . . . . 42.6 mm -59.91 100.97 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.29 0 CA-C-N 115.05 -0.977 . . . . 8.92 111.462 -178.659 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 57.8 m-70 -119.25 -1.87 10.76 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.411 -0.359 . . . . 7.47 110.851 175.093 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 33.3 t -171.74 -66.53 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.922 0.391 . . . . 6.99 110.704 -179.394 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 618' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -85.26 146.57 26.99 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.127 -0.488 . . . . 9.92 110.554 -179.561 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 619' ' ' ARG . . . . . 0.557 ' HD2' ' N ' ' A' ' 619' ' ' ARG . 4.2 mpt_? -83.36 145.21 29.16 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.933 -0.576 . . . . 13.6 110.112 177.007 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 620' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -68.24 156.27 37.98 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.575 -0.739 . . . . 11.34 111.404 -172.785 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 12.6 mmm180 . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.697 -0.668 . . . . 11.92 109.701 -179.276 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 521' ' ' VAL . . . . . 0.485 HG22 ' HG ' ' A' ' 599' ' ' LEU . 99.3 t . . . . . 0 N--CA 1.446 -0.663 0 CA-C-O 121.23 0.538 . . . . 0.44 110.476 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 522' ' ' VAL . . . . . 0.419 HG13 ' O ' ' A' ' 591' ' ' ARG . 83.5 t -103.95 132.29 50.75 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.924 0 CA-C-N 115.448 -0.797 . . . . 0.25 109.409 172.793 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 -106.0 132.43 52.1 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.347 -0.612 . . . . 1.75 109.347 178.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 524' ' ' ILE . . . . . 0.518 HD12 HG13 ' A' ' 537' ' ' VAL . 77.1 mt -113.57 129.65 69.0 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-N 115.859 -0.609 . . . . 0.28 110.409 -177.763 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 525' ' ' CYS . . . . . 0.466 ' SG ' ' HB3' ' A' ' 589' ' ' LEU . 25.1 p -119.01 176.35 5.33 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.674 -0.694 . . . . 1.28 110.545 -176.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 17.4 m120 69.37 26.88 5.17 Favored 'General case' 0 N--CA 1.466 0.346 0 O-C-N 123.779 0.674 . . . . 1.22 110.681 179.577 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 80.6 mt -87.53 120.12 70.98 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 115.693 -0.685 . . . . 0.6 110.875 -178.114 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 528' ' ' PRO . . . . . 0.725 ' HD2' ' SG ' ' A' ' 532' ' ' CYS . 11.3 Cg_exo -70.83 129.91 17.2 Favored 'Trans proline' 0 N--CA 1.458 -0.612 0 C-N-CA 122.162 1.908 . . . . 0.62 111.52 171.897 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 529' ' ' GLU . . . . . 0.501 ' CD ' ' H ' ' A' ' 529' ' ' GLU . 1.5 pm0 -70.32 129.11 38.43 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.859 0.362 . . . . 2.98 110.562 175.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 90.28 -18.78 46.99 Favored Glycine 0 N--CA 1.448 -0.526 0 CA-C-N 116.049 -0.523 . . . . 0.94 113.252 177.606 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 531' ' ' SER . . . . . 0.443 ' HB2' ' HB2' ' A' ' 528' ' ' PRO . 14.3 m -95.74 -36.9 11.01 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 117.308 0.554 . . . . 1.17 111.028 -178.101 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 532' ' ' CYS . . . . . 0.725 ' SG ' ' HD2' ' A' ' 528' ' ' PRO . 59.8 m -87.55 142.96 27.45 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.188 -0.46 . . . . 0.77 110.088 175.766 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 66.9 p -105.53 170.08 8.1 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.267 -0.642 . . . . 0.54 109.267 173.821 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -57.67 -38.33 74.94 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.274 0.559 . . . . 1.32 109.814 177.158 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 35.0 m-80 -64.45 -42.97 95.66 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-N 115.231 -0.895 . . . . 1.95 111.329 -176.533 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 536' ' ' ASP . . . . . 0.545 ' O ' ' HG ' ' A' ' 540' ' ' LEU . 45.3 m-20 -58.86 -46.06 88.67 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 120.826 0.346 . . . . 0.52 111.085 -175.537 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 537' ' ' VAL . . . . . 0.518 HG13 HD12 ' A' ' 524' ' ' ILE . 45.7 t -62.01 -45.49 98.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.719 -0.673 . . . . 0.25 110.345 -178.101 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 84.1 mt -67.27 -45.94 85.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.683 -0.69 . . . . 0.24 110.795 179.097 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 539' ' ' ASN . . . . . 0.537 ' O ' ' HD3' ' A' ' 543' ' ' PRO . 95.9 m-20 -64.97 -27.45 68.84 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.65 -0.705 . . . . 1.07 111.822 -176.716 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 540' ' ' LEU . . . . . 0.545 ' HG ' ' O ' ' A' ' 536' ' ' ASP . 71.5 mt -74.48 -30.47 61.85 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 111.705 0.261 . . . . 0.36 111.705 177.463 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -79.45 -40.17 16.39 Favored Glycine 0 CA--C 1.519 0.299 0 C-N-CA 120.321 -0.942 . . . . 0.22 112.167 179.475 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 542' ' ' LEU . . . . . 0.558 ' HA ' ' O ' ' A' ' 545' ' ' GLY . 87.3 mt -47.89 -45.77 62.24 Favored Pre-proline 0 CA--C 1.543 0.707 0 N-CA-C 114.923 1.453 . . . . 0.25 114.923 -175.755 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 543' ' ' PRO . . . . . 0.537 ' HD3' ' O ' ' A' ' 539' ' ' ASN . 81.3 Cg_exo -50.23 -34.38 39.64 Favored 'Trans proline' 0 C--N 1.358 1.072 0 C-N-CA 122.141 1.894 . . . . 0.19 115.188 -171.425 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -111.06 -16.53 13.47 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.771 0.656 . . . . 0.35 112.771 178.571 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 545' ' ' GLY . . . . . 0.558 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . -153.94 140.91 7.84 Favored Glycine 0 CA--C 1.524 0.652 0 C-N-CA 120.832 -0.699 . . . . 1.14 112.927 175.179 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 546' ' ' LYS . . . . . 0.424 ' O ' ' HA ' ' A' ' 563' ' ' MET . 4.7 ttmp? -71.31 140.47 50.3 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.005 0.431 . . . . 1.56 111.944 -178.652 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 547' ' ' VAL . . . . . 0.49 ' HA ' ' O ' ' A' ' 562' ' ' GLU . 87.3 t -105.35 136.28 39.98 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.561 0 CA-C-N 115.333 -0.849 . . . . 0.25 109.695 178.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 66.0 p -107.05 -38.45 6.02 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 120.633 -0.427 . . . . 0.37 110.881 177.761 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -147.24 166.28 27.51 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.258 -0.428 . . . . 1.43 110.194 -172.544 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 47.6 p90 -150.01 151.4 33.24 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.745 0.307 . . . . 0.47 110.99 179.297 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 551' ' ' ILE . . . . . 0.457 HD12 HD22 ' A' ' 599' ' ' LEU . 34.9 mt -131.38 124.84 55.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 109.132 -0.692 . . . . 0.37 109.132 173.194 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 552' ' ' LEU . . . . . . . . . . . . . 65.0 mt -111.33 111.57 22.72 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.319 -0.4 . . . . 0.45 111.425 -175.031 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 64.8 mtt -108.1 86.52 2.31 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.534 0.683 . . . . 1.18 109.85 175.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -67.65 -29.37 68.66 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.173 -0.922 . . . . 1.45 110.453 -178.596 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 61.1 p -59.27 -35.95 74.65 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.553 -0.748 . . . . 1.11 111.515 178.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 556' ' ' THR . . . . . 0.464 ' O ' ' HG2' ' A' ' 558' ' ' GLN . 70.1 p -100.3 5.13 44.5 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.659 0.266 . . . . 0.88 111.212 178.651 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 57.4 42.85 24.13 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 115.701 -0.681 . . . . 2.35 110.464 -177.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 558' ' ' GLN . . . . . 0.464 ' HG2' ' O ' ' A' ' 556' ' ' THR . 11.9 mm100 -138.42 150.69 46.76 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.29 -0.413 . . . . 2.07 110.704 -174.422 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -129.94 143.85 51.01 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.338 -0.392 . . . . 0.27 110.436 177.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 560' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -122.31 132.72 54.54 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.938 -0.574 . . . . 0.33 109.697 179.167 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 561' ' ' LEU . . . . . 0.482 ' HB3' ' HE1' ' A' ' 563' ' ' MET . 14.2 tp -126.76 133.55 50.82 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 116.177 -0.465 . . . . 0.22 110.024 -172.611 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 562' ' ' GLU . . . . . 0.49 ' O ' ' HA ' ' A' ' 547' ' ' VAL . 8.1 tp10 -101.62 138.82 38.1 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 122.627 0.371 . . . . 1.85 111.044 -175.849 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 563' ' ' MET . . . . . 0.554 ' HE2' ' SD ' ' A' ' 572' ' ' MET . 0.4 OUTLIER -113.94 139.82 48.9 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.741 0.781 . . . . 0.96 111.636 -178.415 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -63.69 -30.26 71.38 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 114.718 -1.128 . . . . 0.36 111.581 -177.615 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -131.41 140.94 49.75 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.504 -0.925 . . . . 1.27 108.504 -177.418 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 566' ' ' THR . . . . . 0.472 ' O ' ' HG3' ' A' ' 570' ' ' GLN . 9.9 t -65.16 -31.61 72.88 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.296 -0.411 . . . . 0.52 110.334 -179.607 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -66.58 -34.29 77.56 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-O 120.828 0.347 . . . . 1.91 110.481 175.417 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 568' ' ' ALA . . . . . 0.529 ' HB1' ' CA ' ' A' ' 545' ' ' GLY . . . -62.8 -44.77 95.3 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.009 -0.541 . . . . 0.28 110.296 -179.111 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -67.89 -45.29 74.86 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.795 -0.639 . . . . 0.19 111.27 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 570' ' ' GLN . . . . . 0.636 ' O ' ' HG2' ' A' ' 574' ' ' GLN . 76.5 mt-30 -64.52 -47.36 79.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.274 -0.421 . . . . 1.21 110.905 -179.03 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -62.72 -43.72 98.08 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 116.04 -0.527 . . . . 0.31 111.723 -175.703 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 572' ' ' MET . . . . . 0.554 ' SD ' ' HE2' ' A' ' 563' ' ' MET . 14.8 ptp -65.75 -45.04 84.05 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 116.378 -0.373 . . . . 0.62 110.694 -177.269 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 573' ' ' VAL . . . . . 0.728 HG13 ' HA ' ' A' ' 591' ' ' ARG . 51.4 t -66.88 -38.37 81.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.353 -0.385 . . . . 0.21 111.672 -175.354 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 574' ' ' GLN . . . . . 0.636 ' HG2' ' O ' ' A' ' 570' ' ' GLN . 83.7 mm-40 -60.1 -36.49 77.53 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.511 -0.552 . . . . 1.9 109.511 177.446 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 47.8 t80 -69.29 -48.94 60.21 Favored 'General case' 0 C--O 1.217 -0.654 0 CA-C-N 116.114 -0.494 . . . . 0.52 110.86 173.599 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 576' ' ' TYR . . . . . 0.506 ' CE1' ' HB2' ' A' ' 572' ' ' MET . 20.8 m-85 -74.7 -17.07 60.72 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 112.814 0.672 . . . . 0.34 112.814 -172.554 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -79.35 -25.0 42.35 Favored 'General case' 0 C--N 1.315 -0.915 0 C-N-CA 120.232 -0.587 . . . . 1.84 110.461 173.44 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -96.08 -39.13 9.88 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.117 -0.492 . . . . 2.07 111.017 177.436 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 53.7 mtpt -131.22 83.0 61.28 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 115.804 -0.635 . . . . 2.07 109.685 174.388 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_exo -70.58 159.59 52.28 Favored 'Trans proline' 0 C--O 1.234 0.32 0 C-N-CA 123.238 2.625 . . . . 0.19 112.331 -175.667 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -93.08 148.77 21.73 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.389 -0.369 . . . . 0.2 110.48 -175.116 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 56.0 mt -122.01 132.98 69.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.37 -0.377 . . . . 0.54 111.646 -172.566 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 583' ' ' ILE . . . . . 0.467 HD12 HD11 ' A' ' 588' ' ' LEU . 55.7 mt -121.34 116.07 48.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.018 -0.537 . . . . 0.73 110.518 173.034 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 59.33 38.0 23.23 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 116.102 -0.499 . . . . 1.46 111.31 176.393 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 84.36 -0.09 89.36 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.589 -0.815 . . . . 0.67 112.733 178.818 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 586' ' ' GLU . . . . . 0.423 ' HG3' ' HG3' ' A' ' 528' ' ' PRO . 13.0 mm-40 -100.64 125.6 47.06 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.516 -0.549 . . . . 1.93 109.516 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -86.63 110.07 19.6 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.217 -0.447 . . . . 2.12 110.491 -177.069 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 588' ' ' LEU . . . . . 0.467 HD11 HD12 ' A' ' 583' ' ' ILE . 27.2 mt -85.45 123.35 30.79 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.411 -0.589 . . . . 0.28 109.411 178.544 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 589' ' ' LEU . . . . . 0.466 ' HB3' ' SG ' ' A' ' 525' ' ' CYS . 43.7 tp -83.63 108.0 16.44 Favored 'General case' 0 N--CA 1.433 -1.301 0 N-CA-C 107.843 -1.169 . . . . 0.38 107.843 170.44 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 590' ' ' ILE . . . . . . . . . . . . . 55.0 mt -95.54 114.85 33.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 N-CA-C 107.616 -1.253 . . . . 0.17 107.616 177.846 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 591' ' ' ARG . . . . . 0.728 ' HA ' HG13 ' A' ' 573' ' ' VAL . 15.3 ptm180 -148.63 164.02 35.54 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.155 0.502 . . . . 3.0 112.264 -169.788 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 592' ' ' MET . . . . . 0.639 ' HA ' ' HE2' ' A' ' 592' ' ' MET . 0.4 OUTLIER -63.44 135.96 57.28 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.463 -0.789 . . . . 0.33 110.566 -176.255 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 40.2 t -86.56 130.51 34.47 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.69 -0.485 . . . . 1.04 109.69 176.353 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 20.2 p -92.5 -22.03 19.8 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.188 -0.46 . . . . 1.6 110.887 179.443 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 13.5 mtm180 -82.32 -41.31 20.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 2.94 110.984 -175.845 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -107.2 133.36 51.9 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.45 -0.341 . . . . 0.93 110.336 -175.854 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 51.1 mtmt -91.72 -29.33 16.89 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.081 -0.509 . . . . 3.4 110.136 175.217 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -159.89 151.11 19.52 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.347 -0.842 . . . . 2.02 109.288 -179.216 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 599' ' ' LEU . . . . . 0.485 ' HG ' HG22 ' A' ' 521' ' ' VAL . 87.2 mt . . . . . 0 C--N 1.321 -0.634 0 CA-C-O 121.196 0.522 . . . . 1.02 110.329 179.095 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 69.1 t . . . . . 0 N--CA 1.451 -0.401 0 N-CA-C 109.717 -0.475 . . . . 0.44 109.717 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 522' ' ' VAL . . . . . 0.406 HG22 ' HE3' ' A' ' 592' ' ' MET . 68.5 t -101.64 134.81 40.94 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 N-CA-C 110.042 -0.355 . . . . 0.25 110.042 178.585 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 13.5 p-80 -112.88 139.89 48.14 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.34 0.59 . . . . 1.75 110.86 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 524' ' ' ILE . . . . . 0.693 HD12 HG13 ' A' ' 537' ' ' VAL . 69.1 mt -115.92 131.47 68.26 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.872 0 CA-C-N 115.105 -0.952 . . . . 0.28 110.196 -179.62 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 20.7 m -113.81 175.01 5.65 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.062 -0.517 . . . . 1.28 110.671 -174.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 16.1 m120 64.33 31.28 12.96 Favored 'General case' 0 N--CA 1.465 0.309 0 O-C-N 123.628 0.58 . . . . 1.22 111.53 177.583 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 527' ' ' LEU . . . . . 0.428 HD21 HD13 ' A' ' 588' ' ' LEU . 85.3 mt -86.39 120.48 72.18 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 116.375 -0.375 . . . . 0.6 110.762 -178.676 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 528' ' ' PRO . . . . . 0.604 ' HD2' ' SG ' ' A' ' 532' ' ' CYS . 36.1 Cg_endo -68.34 131.94 24.54 Favored 'Trans proline' 0 C--O 1.237 0.427 0 C-N-CA 122.654 2.236 . . . . 0.62 112.474 177.882 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.67 133.07 47.91 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.451 -0.795 . . . . 2.98 111.247 177.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 87.01 -17.69 40.19 Favored Glycine 0 N--CA 1.445 -0.735 0 C-N-CA 120.667 -0.778 . . . . 0.94 113.606 175.32 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 10.0 t -105.11 -36.27 7.33 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 117.648 0.724 . . . . 1.17 111.143 -178.291 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 532' ' ' CYS . . . . . 0.604 ' SG ' ' HD2' ' A' ' 528' ' ' PRO . 82.0 m -86.77 128.74 35.04 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.853 0.359 . . . . 0.77 110.879 175.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 81.6 p -106.51 170.94 7.63 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.995 -0.548 . . . . 0.54 109.815 177.755 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 534' ' ' GLU . . . . . 0.437 ' H ' ' HG3' ' A' ' 534' ' ' GLU . 14.4 mt-10 -51.65 -45.4 63.33 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.212 0.53 . . . . 1.32 110.241 178.331 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 17.5 m-80 -60.28 -43.39 96.26 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.069 -0.969 . . . . 1.95 112.205 -173.036 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 536' ' ' ASP . . . . . 0.512 ' O ' ' HG ' ' A' ' 540' ' ' LEU . 31.9 m-20 -62.44 -46.64 87.63 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 121.112 0.482 . . . . 0.52 110.774 -172.178 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 537' ' ' VAL . . . . . 0.693 HG13 HD12 ' A' ' 524' ' ' ILE . 59.4 t -62.25 -40.79 89.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.205 -0.907 . . . . 0.25 110.138 -178.272 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 86.7 mt -66.86 -42.82 89.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.659 -0.701 . . . . 0.24 110.485 177.499 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -61.55 -29.08 69.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.769 -0.65 . . . . 1.07 111.95 -179.074 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 540' ' ' LEU . . . . . 0.512 ' HG ' ' O ' ' A' ' 536' ' ' ASP . 42.9 mt -73.05 -38.93 66.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.703 -0.226 . . . . 0.36 111.472 -179.288 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -76.71 -39.73 28.46 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.617 -0.802 . . . . 0.22 112.83 -176.667 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 542' ' ' LEU . . . . . 0.482 ' HA ' ' O ' ' A' ' 545' ' ' GLY . 79.8 mt -47.71 -45.28 59.52 Favored Pre-proline 0 N--CA 1.471 0.608 0 N-CA-C 114.707 1.373 . . . . 0.25 114.707 -173.13 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 543' ' ' PRO . . . . . 0.408 ' HD2' ' O ' ' A' ' 540' ' ' LEU . 56.9 Cg_exo -47.44 -34.09 18.68 Favored 'Trans proline' 0 C--N 1.36 1.135 0 C-N-CA 122.247 1.965 . . . . 0.19 115.188 -173.871 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 544' ' ' PHE . . . . . 0.521 ' HB2' ' CB ' ' A' ' 572' ' ' MET . 67.7 m-85 -111.42 -19.52 12.56 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.036 -0.665 . . . . 0.35 112.766 176.255 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 545' ' ' GLY . . . . . 0.482 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . -149.25 126.15 2.17 Favored Glycine 0 CA--C 1.521 0.434 0 C-N-CA 120.503 -0.856 . . . . 1.14 113.801 177.719 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 546' ' ' LYS . . . . . 0.443 ' O ' ' HA ' ' A' ' 563' ' ' MET . 55.7 tptt -57.01 140.24 49.65 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 123.144 0.578 . . . . 1.56 111.31 174.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 547' ' ' VAL . . . . . 0.454 ' HA ' ' O ' ' A' ' 562' ' ' GLU . 90.1 t -100.0 135.28 36.38 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.474 0 CA-C-N 115.892 -0.595 . . . . 0.25 110.855 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 32.6 p -107.52 -32.38 7.73 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.238 -0.437 . . . . 0.37 111.612 176.751 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 70.2 m-20 -146.91 165.09 30.84 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-N 116.371 -0.377 . . . . 1.43 110.728 -175.656 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 47.1 p90 -151.42 149.16 28.97 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.255 -0.429 . . . . 0.47 109.985 173.42 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 551' ' ' ILE . . . . . 0.48 HD12 HD22 ' A' ' 599' ' ' LEU . 14.8 mt -138.62 124.36 23.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 N-CA-C 109.211 -0.662 . . . . 0.37 109.211 175.172 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 552' ' ' LEU . . . . . . . . . . . . . 85.3 mt -103.91 112.85 25.99 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.976 -0.557 . . . . 0.45 111.401 -173.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 25.3 mmt -107.32 84.22 1.94 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.545 0.688 . . . . 1.18 109.416 174.669 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 31.9 mmtp -68.72 -29.01 67.34 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.382 -0.826 . . . . 1.45 110.768 -178.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 67.3 p -61.82 -32.11 72.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.766 -0.652 . . . . 1.11 111.697 179.13 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 70.2 p -103.9 9.3 36.82 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 120.994 0.426 . . . . 0.88 110.856 178.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 56.68 40.27 29.32 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 115.104 -0.953 . . . . 2.35 111.723 178.047 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -145.85 157.71 43.9 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-O 121.104 0.478 . . . . 2.07 110.917 -176.834 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -129.98 143.84 51.01 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 116.177 -0.465 . . . . 0.27 110.395 178.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 560' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -111.78 128.64 56.16 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.18 -0.463 . . . . 0.33 109.816 178.751 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 561' ' ' LEU . . . . . 0.496 ' HB3' ' HE1' ' A' ' 563' ' ' MET . 15.9 tp -124.11 131.1 53.51 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 115.947 -0.57 . . . . 0.22 109.839 -175.625 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 562' ' ' GLU . . . . . 0.454 ' O ' ' HA ' ' A' ' 547' ' ' VAL . 27.8 tt0 -102.36 137.77 40.17 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.571 0.224 . . . . 1.85 110.504 -177.743 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 563' ' ' MET . . . . . 0.496 ' HE1' ' HB3' ' A' ' 561' ' ' LEU . 0.5 OUTLIER -107.08 151.58 25.17 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.439 -0.346 . . . . 0.96 111.004 -179.429 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -60.09 -43.2 95.7 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.059 0.457 . . . . 0.36 110.943 -177.579 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -118.57 151.66 37.47 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.652 -0.704 . . . . 1.27 109.112 -179.464 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 566' ' ' THR . . . . . 0.547 ' O ' ' HG3' ' A' ' 570' ' ' GLN . 9.3 t -61.8 -38.76 89.3 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.098 0.475 . . . . 0.52 109.977 175.845 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -66.52 -31.65 72.51 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 115.828 -0.624 . . . . 1.91 111.307 178.496 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 568' ' ' ALA . . . . . 0.433 ' HB1' ' CA ' ' A' ' 545' ' ' GLY . . . -61.66 -41.8 98.03 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.214 0.53 . . . . 0.28 109.574 177.084 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 569' ' ' ALA . . . . . 0.449 ' O ' ' HG2' ' A' ' 572' ' ' MET . . . -68.65 -45.26 72.26 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.276 -0.875 . . . . 0.19 111.384 177.782 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 570' ' ' GLN . . . . . 0.547 ' HG3' ' O ' ' A' ' 566' ' ' THR . 72.6 mt-30 -67.02 -46.45 74.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.463 -0.335 . . . . 1.21 111.27 -176.294 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -62.82 -38.76 92.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.097 -0.501 . . . . 0.31 111.354 -175.784 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 572' ' ' MET . . . . . 0.521 ' CB ' ' HB2' ' A' ' 544' ' ' PHE . 12.8 ptp -69.02 -45.77 69.63 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.688 -0.405 . . . . 0.62 110.439 -179.61 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 573' ' ' VAL . . . . . 0.612 HG13 ' HA ' ' A' ' 591' ' ' ARG . 94.8 t -67.05 -37.42 79.29 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.654 0 CA-C-N 116.27 -0.423 . . . . 0.21 111.364 -175.332 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 574' ' ' GLN . . . . . 0.45 ' HG2' ' O ' ' A' ' 570' ' ' GLN . 28.8 mm-40 -59.19 -37.4 77.32 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.318 -0.623 . . . . 1.9 109.318 176.648 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 76.8 t80 -68.94 -49.87 54.24 Favored 'General case' 0 C--O 1.217 -0.611 0 CA-C-N 116.184 -0.462 . . . . 0.52 111.161 173.361 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 576' ' ' TYR . . . . . 0.411 ' CE1' ' HB2' ' A' ' 572' ' ' MET . 23.7 m-85 -73.98 -17.28 61.02 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 112.983 0.734 . . . . 0.34 112.983 -172.787 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -74.13 -29.04 61.62 Favored 'General case' 0 C--N 1.317 -0.819 0 C-N-CA 120.585 -0.446 . . . . 1.84 110.386 173.565 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -97.77 -39.78 8.87 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.225 -0.443 . . . . 2.07 111.205 178.065 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 52.1 mtpt -130.1 82.91 64.88 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-N 115.988 -0.551 . . . . 2.07 109.784 176.306 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -70.36 160.61 48.95 Favored 'Trans proline' 0 CA--C 1.53 0.281 0 C-N-CA 123.868 3.045 . . . . 0.19 112.632 -175.142 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 581' ' ' ALA . . . . . 0.435 ' HB1' HD22 ' A' ' 540' ' ' LEU . . . -92.17 148.51 22.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.375 -0.375 . . . . 0.2 110.654 -174.803 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 66.2 mt -113.79 130.17 68.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 112.288 0.477 . . . . 0.54 112.288 -170.117 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 583' ' ' ILE . . . . . 0.45 HD12 HD11 ' A' ' 588' ' ' LEU . 45.4 mt -122.01 123.09 68.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.018 -0.537 . . . . 0.73 109.82 170.705 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 12.6 m120 59.26 34.42 23.03 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 122.9 0.48 . . . . 1.46 111.482 177.684 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 81.15 3.41 90.67 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.777 -0.725 . . . . 0.67 112.624 -179.574 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -103.32 126.85 50.7 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.874 0.369 . . . . 1.93 110.293 179.24 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 57.3 mttm -84.44 107.54 16.75 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.11 -0.495 . . . . 2.12 109.897 -179.368 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 588' ' ' LEU . . . . . 0.45 HD11 HD12 ' A' ' 583' ' ' ILE . 60.6 mt -85.02 129.05 34.86 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 116.185 -0.461 . . . . 0.28 109.942 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 36.8 tp -82.44 109.32 16.57 Favored 'General case' 0 N--CA 1.436 -1.173 0 N-CA-C 108.607 -0.886 . . . . 0.38 108.607 174.101 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 590' ' ' ILE . . . . . . . . . . . . . 58.5 mt -95.44 115.37 34.25 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 N-CA-C 107.786 -1.19 . . . . 0.17 107.786 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 591' ' ' ARG . . . . . 0.612 ' HA ' HG13 ' A' ' 573' ' ' VAL . 27.9 ptt180 -142.44 157.22 44.99 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 113.602 0.964 . . . . 3.0 113.602 -168.661 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 592' ' ' MET . . . . . 0.582 ' HG2' HG11 ' A' ' 573' ' ' VAL . 0.2 OUTLIER -66.77 132.18 47.52 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 114.607 -1.179 . . . . 0.33 111.254 -174.665 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 15.0 m -87.49 130.65 34.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.747 0.308 . . . . 1.04 110.555 174.32 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 11.2 p -89.49 -26.57 20.85 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.127 0.489 . . . . 1.6 110.483 176.55 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 78.9 mtp180 -74.6 -41.31 60.67 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.729 -0.669 . . . . 2.94 111.453 -179.044 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -106.95 129.89 54.69 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.05 0.452 . . . . 0.93 111.461 -176.409 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 50.9 mtmt -94.81 -38.04 10.94 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.837 0.827 . . . . 3.4 109.589 167.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -145.19 146.35 31.71 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.536 -1.211 . . . . 2.02 109.949 -173.839 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 599' ' ' LEU . . . . . 0.48 HD22 HD12 ' A' ' 551' ' ' ILE . 95.3 mt . . . . . 0 C--N 1.322 -0.614 0 CA-C-O 121.254 0.55 . . . . 1.02 110.995 178.272 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 521' ' ' VAL . . . . . 0.415 HG22 ' HG ' ' A' ' 599' ' ' LEU . 99.0 t . . . . . 0 N--CA 1.443 -0.793 0 N-CA-C 109.564 -0.532 . . . . 0.44 109.564 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 522' ' ' VAL . . . . . 0.429 HG21 ' HE3' ' A' ' 563' ' ' MET . 61.0 t -101.72 133.21 45.86 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.083 0 CA-C-N 115.512 -0.767 . . . . 0.25 109.599 177.728 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 12.4 t-80 -106.28 121.12 43.57 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.891 -0.595 . . . . 1.75 109.658 -177.628 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 524' ' ' ILE . . . . . 0.464 HD12 HG13 ' A' ' 537' ' ' VAL . 77.6 mt -103.2 126.95 57.48 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.87 0 CA-C-N 115.998 -0.546 . . . . 0.28 109.847 -179.18 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 34.6 m -114.84 173.75 6.32 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.653 -0.703 . . . . 1.28 110.982 -174.766 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 19.0 m120 65.03 27.88 12.52 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 115.566 -0.743 . . . . 1.22 111.115 178.255 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 527' ' ' LEU . . . . . 0.566 ' O ' ' HB3' ' A' ' 557' ' ' ASN . 80.4 mt -80.26 120.65 80.18 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-O 120.802 0.334 . . . . 0.6 111.112 -177.367 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 528' ' ' PRO . . . . . 0.516 ' HD2' ' SG ' ' A' ' 532' ' ' CYS . 28.3 Cg_endo -69.67 130.85 20.17 Favored 'Trans proline' 0 C--O 1.238 0.499 0 C-N-CA 122.31 2.007 . . . . 0.62 111.858 172.472 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 529' ' ' GLU . . . . . 0.438 ' HB3' ' OD1' ' A' ' 557' ' ' ASN . 1.0 OUTLIER -69.24 137.69 53.35 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.442 -0.345 . . . . 2.98 110.613 177.432 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 79.0 -18.02 6.6 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 121.125 -0.559 . . . . 0.94 113.109 177.04 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 531' ' ' SER . . . . . 0.458 ' HB3' ' ND2' ' A' ' 584' ' ' ASN . 14.7 m -92.11 -35.18 14.03 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.122 0.487 . . . . 1.17 110.522 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 532' ' ' CYS . . . . . 0.516 ' SG ' ' HD2' ' A' ' 528' ' ' PRO . 38.8 m -86.52 131.32 34.21 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.806 -0.634 . . . . 0.77 110.893 -179.463 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 44.0 p -106.11 167.18 9.98 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.277 -0.638 . . . . 0.54 109.277 174.141 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -57.17 -45.4 83.69 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.266 0.555 . . . . 1.32 109.801 178.76 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -62.66 -43.18 99.46 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.087 -0.96 . . . . 1.95 111.767 -176.438 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 536' ' ' ASP . . . . . 0.583 ' O ' ' HG ' ' A' ' 540' ' ' LEU . 50.1 m-20 -60.63 -47.4 86.41 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 120.834 0.35 . . . . 0.52 110.95 -177.796 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 537' ' ' VAL . . . . . 0.464 HG13 HD12 ' A' ' 524' ' ' ILE . 76.1 t -62.48 -44.52 99.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.753 -0.658 . . . . 0.25 110.703 -177.631 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 90.1 mt -64.13 -42.98 97.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.966 -0.561 . . . . 0.24 110.648 177.466 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 539' ' ' ASN . . . . . 0.568 ' O ' ' HD3' ' A' ' 543' ' ' PRO . 83.5 m-20 -61.33 -28.3 69.11 Favored 'General case' 0 C--O 1.223 -0.325 0 CA-C-N 115.779 -0.646 . . . . 1.07 111.737 -179.452 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 540' ' ' LEU . . . . . 0.583 ' HG ' ' O ' ' A' ' 536' ' ' ASP . 44.9 mt -74.74 -33.83 62.42 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.172 0.434 . . . . 0.36 112.172 -178.433 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -79.07 -38.42 22.67 Favored Glycine 0 N--CA 1.453 -0.195 0 C-N-CA 120.15 -1.024 . . . . 0.22 112.165 -179.627 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 542' ' ' LEU . . . . . . . . . . . . . 62.2 mt -49.1 -45.64 75.2 Favored Pre-proline 0 CA--C 1.55 0.964 0 N-CA-C 115.449 1.648 . . . . 0.25 115.449 -176.213 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 543' ' ' PRO . . . . . 0.568 ' HD3' ' O ' ' A' ' 539' ' ' ASN . 99.4 Cg_exo -51.93 -34.66 57.11 Favored 'Trans proline' 0 C--N 1.357 0.996 0 C-N-CA 122.369 2.046 . . . . 0.19 115.941 -168.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -110.59 -17.74 13.34 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 119.888 -0.725 . . . . 0.35 112.941 179.638 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 545' ' ' GLY . . . . . 0.538 ' CA ' ' HB1' ' A' ' 568' ' ' ALA . . . -125.7 -145.67 6.51 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.574 -0.822 . . . . 1.14 113.379 177.741 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 546' ' ' LYS . . . . . 0.601 ' O ' ' HA ' ' A' ' 563' ' ' MET . 40.0 tptt -144.46 125.3 14.28 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.266 -0.467 . . . . 1.56 110.585 178.092 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 94.8 t -91.51 136.0 25.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 116.484 -0.325 . . . . 0.25 110.901 179.508 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 45.0 p -107.94 -40.07 5.35 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.176 -0.466 . . . . 0.37 110.925 175.792 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -164.13 168.93 18.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.612 -0.722 . . . . 1.43 109.497 -179.475 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 53.0 p90 -141.32 151.33 43.52 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.016 0.436 . . . . 0.47 111.735 -173.299 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 551' ' ' ILE . . . . . 0.495 HD12 HD22 ' A' ' 599' ' ' LEU . 15.9 mt -126.38 122.34 61.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 108.659 -0.867 . . . . 0.37 108.659 168.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 552' ' ' LEU . . . . . . . . . . . . . 60.8 mt -113.07 120.06 40.02 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 116.17 -0.468 . . . . 0.45 111.783 -174.352 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 22.3 mmt -106.49 85.63 2.21 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.013 -0.736 . . . . 1.18 109.013 174.199 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.68 -29.45 67.9 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.476 -0.564 . . . . 1.45 109.476 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 64.2 p -63.19 -27.23 69.22 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.298 -0.865 . . . . 1.11 112.018 -179.321 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 556' ' ' THR . . . . . 0.424 ' O ' ' HG2' ' A' ' 558' ' ' GLN . 66.8 p -112.57 2.11 16.09 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.045 0.45 . . . . 0.88 110.506 -178.362 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 557' ' ' ASN . . . . . 0.566 ' HB3' ' O ' ' A' ' 527' ' ' LEU . 87.9 m-20 57.22 41.17 27.32 Favored 'General case' 0 CA--C 1.521 -0.166 0 CA-C-N 114.886 -1.052 . . . . 2.35 111.306 -178.017 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 558' ' ' GLN . . . . . 0.424 ' HG2' ' O ' ' A' ' 556' ' ' THR . 8.8 mm100 -139.9 148.54 42.18 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.219 -0.66 . . . . 2.07 109.219 -177.816 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 559' ' ' ALA . . . . . 0.426 ' HB3' ' HB ' ' A' ' 524' ' ' ILE . . . -131.26 150.67 52.05 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.257 0.465 . . . . 0.27 112.257 -174.435 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 560' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -125.2 126.63 45.52 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.543 -0.753 . . . . 0.33 109.315 176.659 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 14.6 tp -127.74 129.05 46.43 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 110.119 -0.326 . . . . 0.22 110.119 -175.044 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 562' ' ' GLU . . . . . 0.432 ' OE2' ' HA ' ' A' ' 598' ' ' GLU . 8.7 tp10 -99.44 137.86 37.35 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 121.061 0.457 . . . . 1.85 110.906 -174.461 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 563' ' ' MET . . . . . 0.601 ' HA ' ' O ' ' A' ' 546' ' ' LYS . 20.4 mmt -115.21 135.0 54.64 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.434 -0.803 . . . . 0.96 110.916 -173.37 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -61.6 -32.09 72.19 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 114.958 -1.019 . . . . 0.36 111.34 -177.141 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 565' ' ' TYR . . . . . 0.448 ' HB2' ' HB2' ' A' ' 568' ' ' ALA . 23.4 m-85 -123.44 132.39 53.93 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.136 -0.938 . . . . 1.27 108.804 -176.064 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 5.1 t -65.68 -38.15 88.47 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.11 -0.495 . . . . 0.52 110.955 -176.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 567' ' ' GLU . . . . . 0.55 ' CD ' ' H ' ' A' ' 567' ' ' GLU . 1.6 pm0 -68.33 -32.09 71.95 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.352 -0.385 . . . . 1.91 110.839 175.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 568' ' ' ALA . . . . . 0.538 ' HB1' ' CA ' ' A' ' 545' ' ' GLY . . . -62.14 -41.2 98.04 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.07 0.462 . . . . 0.28 110.164 177.753 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 569' ' ' ALA . . . . . 0.405 ' O ' ' HG2' ' A' ' 572' ' ' MET . . . -68.08 -45.39 73.95 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.791 -0.641 . . . . 0.19 111.0 178.329 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 570' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -61.81 -45.69 92.77 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.872 -0.604 . . . . 1.21 111.231 179.07 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -62.27 -42.74 99.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.956 -0.565 . . . . 0.31 111.347 -176.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 572' ' ' MET . . . . . 0.498 ' CE ' ' HA3' ' A' ' 545' ' ' GLY . 17.4 ptp -68.42 -46.25 70.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.459 -0.337 . . . . 0.62 110.771 -176.807 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 573' ' ' VAL . . . . . 0.483 HG11 ' HG2' ' A' ' 592' ' ' MET . 94.2 t -66.91 -37.06 78.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.607 -0.269 . . . . 0.21 111.37 -176.494 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -58.89 -37.59 76.94 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.638 -0.425 . . . . 1.9 110.008 176.082 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 60.8 t80 -69.26 -49.74 53.33 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.218 -0.446 . . . . 0.52 110.744 173.793 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 576' ' ' TYR . . . . . 0.474 ' CB ' ' HB ' ' A' ' 590' ' ' ILE . 21.8 m-85 -74.52 -16.76 60.82 Favored 'General case' 0 C--O 1.222 -0.369 0 N-CA-C 113.237 0.829 . . . . 0.34 113.237 -171.401 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -79.75 -26.96 40.57 Favored 'General case' 0 C--N 1.315 -0.894 0 C-N-CA 119.95 -0.7 . . . . 1.84 110.861 175.528 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -97.63 -38.98 9.32 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.21 0.529 . . . . 2.07 110.906 176.7 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -127.36 82.33 68.41 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-N 115.798 -0.637 . . . . 2.07 109.609 174.197 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_exo -71.68 160.08 49.16 Favored 'Trans proline' 0 C--O 1.233 0.259 0 C-N-CA 123.432 2.755 . . . . 0.19 112.654 -176.036 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 581' ' ' ALA . . . . . 0.456 ' HB1' HD22 ' A' ' 540' ' ' LEU . . . -93.03 152.85 19.05 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.175 -0.466 . . . . 0.2 110.348 -175.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 582' ' ' ILE . . . . . 0.478 HG12 ' HG2' ' A' ' 587' ' ' LYS . 63.7 mt -116.15 133.27 63.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 N-CA-C 112.286 0.476 . . . . 0.54 112.286 -170.782 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 583' ' ' ILE . . . . . 0.458 HD12 HD11 ' A' ' 588' ' ' LEU . 29.7 mt -122.64 121.94 64.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.093 -0.503 . . . . 0.73 110.084 169.618 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 584' ' ' ASN . . . . . 0.458 ' ND2' ' HB3' ' A' ' 531' ' ' SER . 5.2 m-20 59.5 36.85 23.06 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 116.378 -0.373 . . . . 1.46 111.731 177.61 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 80.72 -0.53 85.96 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.662 -0.78 . . . . 0.67 112.887 178.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -102.25 127.23 49.31 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.845 -0.428 . . . . 1.93 109.845 -179.433 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 587' ' ' LYS . . . . . 0.478 ' HG2' HG12 ' A' ' 582' ' ' ILE . 99.4 mttt -82.02 113.21 19.76 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.04 0.447 . . . . 2.12 110.573 -178.514 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 588' ' ' LEU . . . . . 0.508 HD12 ' CD1' ' A' ' 540' ' ' LEU . 38.4 mt -86.67 125.02 33.57 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.812 -0.631 . . . . 0.28 110.21 -179.79 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 39.4 tp -83.39 109.52 17.38 Favored 'General case' 0 C--N 1.31 -1.14 0 N-CA-C 108.541 -0.911 . . . . 0.38 108.541 174.293 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 590' ' ' ILE . . . . . 0.474 ' HB ' ' CB ' ' A' ' 576' ' ' TYR . 45.9 mt -95.15 116.21 36.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 N-CA-C 108.698 -0.853 . . . . 0.17 108.698 179.199 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 80.0 mtp180 -124.37 157.62 34.62 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.94 -0.573 . . . . 3.0 111.913 -169.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 592' ' ' MET . . . . . 0.498 ' HA ' ' HE2' ' A' ' 592' ' ' MET . 0.4 OUTLIER -72.0 127.07 31.4 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 108.612 -0.885 . . . . 0.33 108.612 171.738 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 13.1 t -84.27 131.31 34.74 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.503 -0.479 . . . . 1.04 111.434 -174.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 17.5 m -98.89 -10.18 23.19 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.5 -0.773 . . . . 1.6 109.696 173.393 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 73.0 mtt180 -81.64 -40.42 22.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.69 -0.687 . . . . 2.94 110.741 -177.807 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -116.3 137.11 52.42 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.081 0.467 . . . . 0.93 110.568 176.349 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 597' ' ' LYS . . . . . 0.478 ' C ' ' HD3' ' A' ' 597' ' ' LYS . 13.7 tmtt? -89.58 -41.21 12.12 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.556 -0.747 . . . . 3.4 109.432 176.004 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 598' ' ' GLU . . . . . 0.432 ' HA ' ' OE2' ' A' ' 562' ' ' GLU . 11.3 pt-20 -154.08 146.52 23.99 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.642 -0.708 . . . . 2.02 110.174 -179.348 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 599' ' ' LEU . . . . . 0.495 HD22 HD12 ' A' ' 551' ' ' ILE . 60.2 mt . . . . . 0 C--N 1.322 -0.622 0 CA-C-N 116.359 -0.382 . . . . 1.02 110.338 177.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 76.6 t . . . . . 0 N--CA 1.456 -0.157 0 CA-C-O 120.878 0.371 . . . . 0.44 110.573 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 522' ' ' VAL . . . . . . . . . . . . . 59.9 t -106.47 135.07 46.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 116.103 -0.498 . . . . 0.25 110.409 177.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 523' ' ' HIS . . . . . 0.495 ' ND1' ' HA ' ' A' ' 593' ' ' SER . 2.1 p-80 -109.12 140.52 42.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.244 0.545 . . . . 1.75 110.927 177.366 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 524' ' ' ILE . . . . . 0.626 HD12 HG13 ' A' ' 537' ' ' VAL . 71.2 mt -115.66 138.54 45.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-N 115.428 -0.806 . . . . 0.28 110.495 -179.158 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 5.8 p -125.64 175.65 7.43 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.019 -0.537 . . . . 1.28 110.795 -179.459 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 69.69 29.23 4.24 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 123.693 0.62 . . . . 1.22 110.734 -177.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 527' ' ' LEU . . . . . 0.408 HD21 HD13 ' A' ' 588' ' ' LEU . 80.1 mt -89.03 121.64 69.48 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 116.015 -0.539 . . . . 0.6 110.877 -176.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 528' ' ' PRO . . . . . 0.593 ' HD2' ' SG ' ' A' ' 532' ' ' CYS . 31.4 Cg_endo -67.68 130.92 23.06 Favored 'Trans proline' 0 N--CA 1.46 -0.48 0 C-N-CA 121.896 1.731 . . . . 0.62 111.753 174.561 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -68.68 125.3 26.11 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.616 -0.72 . . . . 2.98 111.343 -178.03 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 86.52 -18.17 35.25 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.955 -0.641 . . . . 0.94 113.346 174.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 4.4 t -93.13 -34.48 13.63 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 117.133 0.466 . . . . 1.17 110.68 -177.468 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 532' ' ' CYS . . . . . 0.593 ' SG ' ' HD2' ' A' ' 528' ' ' PRO . 70.9 m -85.07 133.17 34.24 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.521 -0.308 . . . . 0.77 110.506 177.491 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 69.6 p -104.45 170.83 7.67 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.848 -0.426 . . . . 0.54 109.848 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 534' ' ' GLU . . . . . 0.4 ' HA ' HD11 ' A' ' 552' ' ' LEU . 31.4 mt-10 -54.7 -41.49 70.33 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.177 0.513 . . . . 1.32 109.783 177.305 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -61.79 -43.42 98.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.309 -0.86 . . . . 1.95 111.829 -175.527 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 536' ' ' ASP . . . . . 0.646 ' O ' ' HG ' ' A' ' 540' ' ' LEU . 26.2 m-20 -61.07 -48.63 80.83 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 121.151 0.5 . . . . 0.52 110.892 -175.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 537' ' ' VAL . . . . . 0.626 HG13 HD12 ' A' ' 524' ' ' ILE . 99.2 t -64.73 -44.97 96.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.357 -0.838 . . . . 0.25 110.69 -175.462 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 95.8 mt -64.01 -45.28 97.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.005 -0.543 . . . . 0.24 110.824 178.422 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 539' ' ' ASN . . . . . 0.647 ' O ' ' HD3' ' A' ' 543' ' ' PRO . 5.8 m-20 -64.48 -28.3 69.57 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.768 -0.651 . . . . 1.07 112.29 -176.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 540' ' ' LEU . . . . . 0.646 ' HG ' ' O ' ' A' ' 536' ' ' ASP . 53.6 mt -72.52 -32.41 66.11 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.318 0.488 . . . . 0.36 112.318 -177.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -79.69 -33.87 32.97 Favored Glycine 0 CA--C 1.518 0.235 0 C-N-CA 120.145 -1.026 . . . . 0.22 112.058 178.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 542' ' ' LEU . . . . . 0.409 HD12 ' HA ' ' A' ' 539' ' ' ASN . 68.2 mt -53.3 -39.89 75.24 Favored Pre-proline 0 CA--C 1.546 0.826 0 N-CA-C 115.526 1.676 . . . . 0.25 115.526 -175.186 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 543' ' ' PRO . . . . . 0.647 ' HD3' ' O ' ' A' ' 539' ' ' ASN . 96.8 Cg_exo -52.05 -35.28 60.93 Favored 'Trans proline' 0 C--N 1.356 0.952 0 C-N-CA 121.589 1.526 . . . . 0.19 115.07 -173.741 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 544' ' ' PHE . . . . . 0.408 ' HB2' ' HA ' ' A' ' 572' ' ' MET . 78.8 m-85 -110.96 -17.73 13.23 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.9 0.704 . . . . 0.35 112.9 178.411 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 545' ' ' GLY . . . . . 0.515 ' CA ' ' HB1' ' A' ' 568' ' ' ALA . . . -128.0 -151.12 7.49 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.797 -0.716 . . . . 1.14 113.264 179.132 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 546' ' ' LYS . . . . . 0.574 ' O ' ' HA ' ' A' ' 563' ' ' MET . 53.0 tttp -149.49 139.44 21.97 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 110.571 -0.159 . . . . 1.56 110.571 177.891 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 547' ' ' VAL . . . . . 0.475 ' HA ' ' O ' ' A' ' 562' ' ' GLU . 96.5 t -102.53 133.11 47.14 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.482 0 O-C-N 123.479 0.487 . . . . 0.25 111.658 -174.486 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 548' ' ' THR . . . . . 0.418 HG23 ' HB2' ' A' ' 564' ' ' ALA . 26.0 p -107.63 -34.44 7.0 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.608 -0.724 . . . . 0.37 111.951 176.207 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 49.9 m-80 -152.28 167.07 29.83 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 115.881 -0.6 . . . . 1.43 109.453 -178.849 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 52.1 p90 -147.12 149.68 33.5 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 121.0 -0.28 . . . . 0.47 110.723 176.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 551' ' ' ILE . . . . . 0.525 HD12 HD22 ' A' ' 599' ' ' LEU . 25.4 mt -133.67 121.75 41.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 108.971 -0.751 . . . . 0.37 108.971 172.272 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 552' ' ' LEU . . . . . 0.4 HD11 ' HA ' ' A' ' 534' ' ' GLU . 82.6 mt -113.08 111.4 22.08 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.145 -0.48 . . . . 0.45 111.827 -173.568 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 66.1 mtt -108.75 84.48 1.94 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.464 0.649 . . . . 1.18 109.634 173.13 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -68.64 -30.34 69.03 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.406 -0.815 . . . . 1.45 111.201 -175.088 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 64.9 p -64.76 -32.02 73.52 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.125 -0.488 . . . . 1.11 111.743 -177.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 69.9 p -100.62 12.79 36.65 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 111.737 0.273 . . . . 0.88 111.737 -177.715 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 58.01 43.05 21.71 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 116.015 -0.539 . . . . 2.35 110.842 179.514 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 20.0 mm-40 -142.33 149.49 39.53 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.174 0.511 . . . . 2.07 111.225 -176.768 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 559' ' ' ALA . . . . . 0.484 ' O ' ' HA ' ' A' ' 523' ' ' HIS . . . -137.18 143.75 42.55 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.906 -0.588 . . . . 0.27 109.646 173.516 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 560' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -120.68 126.62 50.67 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.632 -0.507 . . . . 0.33 109.632 178.274 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 14.6 tp -121.89 130.64 53.51 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.967 -0.561 . . . . 0.22 109.797 -176.374 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 562' ' ' GLU . . . . . 0.591 ' HB2' HD12 ' A' ' 599' ' ' LEU . 32.7 tt0 -99.47 137.52 37.86 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.387 -0.369 . . . . 1.85 110.255 -173.277 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 563' ' ' MET . . . . . 0.574 ' HA ' ' O ' ' A' ' 546' ' ' LYS . 20.3 mmt -115.84 135.45 53.99 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.427 0.632 . . . . 0.96 111.546 -172.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 564' ' ' ALA . . . . . 0.418 ' HB2' HG23 ' A' ' 548' ' ' THR . . . -61.76 -31.18 71.35 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-N 114.779 -1.101 . . . . 0.36 111.754 -177.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 50.0 m-85 -131.14 141.05 50.06 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.674 -0.694 . . . . 1.27 109.561 -175.457 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 8.8 t -66.19 -30.78 71.32 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.934 -0.575 . . . . 0.52 110.351 178.652 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -66.67 -37.19 84.27 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.073 0.463 . . . . 1.91 109.999 175.074 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 568' ' ' ALA . . . . . 0.515 ' HB1' ' CA ' ' A' ' 545' ' ' GLY . . . -63.59 -45.27 91.13 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.47 -0.786 . . . . 0.28 110.519 -179.244 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -67.53 -46.58 72.41 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.651 -0.704 . . . . 0.19 111.654 -177.167 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 570' ' ' GLN . . . . . 0.511 ' O ' ' HG2' ' A' ' 574' ' ' GLN . 47.5 mt-30 -68.73 -45.39 71.64 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.238 -0.437 . . . . 1.21 111.28 -177.231 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -62.24 -42.83 99.67 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.338 -0.392 . . . . 0.31 111.568 -175.818 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 572' ' ' MET . . . . . 0.513 ' HB2' ' CE1' ' A' ' 576' ' ' TYR . 17.7 ptp -64.92 -45.1 87.25 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 120.758 -0.377 . . . . 0.62 110.344 -179.153 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 573' ' ' VAL . . . . . 0.686 HG13 ' HA ' ' A' ' 591' ' ' ARG . 65.2 t -66.91 -37.71 79.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.131 -0.486 . . . . 0.21 111.79 -175.839 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 574' ' ' GLN . . . . . 0.511 ' HG2' ' O ' ' A' ' 570' ' ' GLN . 85.9 mm-40 -59.36 -37.45 77.91 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.662 -0.495 . . . . 1.9 109.662 177.736 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 58.4 t80 -69.34 -49.25 57.38 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.921 -0.582 . . . . 0.52 110.84 173.359 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 576' ' ' TYR . . . . . 0.513 ' CE1' ' HB2' ' A' ' 572' ' ' MET . 18.6 m-85 -74.88 -17.19 60.62 Favored 'General case' 0 C--O 1.222 -0.387 0 N-CA-C 113.184 0.809 . . . . 0.34 113.184 -171.62 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -78.91 -27.97 43.89 Favored 'General case' 0 C--N 1.317 -0.813 0 C-N-CA 119.929 -0.709 . . . . 1.84 110.487 174.837 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 39.7 mm-40 -96.66 -38.72 9.82 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.128 0.489 . . . . 2.07 110.819 179.281 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 58.8 mtpt -130.45 79.42 72.37 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-N 115.761 -0.654 . . . . 2.07 109.647 176.08 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_exo -69.36 160.35 50.14 Favored 'Trans proline' 0 C--O 1.233 0.231 0 C-N-CA 123.607 2.871 . . . . 0.19 113.188 -173.723 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -91.84 152.81 19.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.01 -0.541 . . . . 0.2 110.144 -176.647 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 44.8 mt -121.28 131.52 72.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 112.154 0.427 . . . . 0.54 112.154 -168.577 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 583' ' ' ILE . . . . . 0.534 HD12 HD11 ' A' ' 588' ' ' LEU . 38.1 mt -121.25 123.07 69.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.108 -0.496 . . . . 0.73 109.995 172.401 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 12.8 m120 59.71 33.61 21.89 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 122.702 0.401 . . . . 1.46 111.305 177.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 79.01 3.25 88.07 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.397 -0.906 . . . . 0.67 112.375 -179.059 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -102.69 126.49 49.82 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.672 -0.492 . . . . 1.93 109.672 178.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 9.6 mtmp? -83.62 114.03 21.26 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.05 -0.523 . . . . 2.12 110.749 -175.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 588' ' ' LEU . . . . . 0.534 HD11 HD12 ' A' ' 583' ' ' ILE . 37.8 mt -87.83 124.25 33.44 Favored 'General case' 0 CA--C 1.505 -0.786 0 CA-C-N 115.674 -0.694 . . . . 0.28 109.793 179.234 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 32.4 tp -83.57 108.88 16.97 Favored 'General case' 0 N--CA 1.438 -1.037 0 N-CA-C 108.165 -1.05 . . . . 0.38 108.165 173.477 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 590' ' ' ILE . . . . . 0.507 ' HB ' ' CB ' ' A' ' 576' ' ' TYR . 38.6 mt -95.62 115.78 35.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 N-CA-C 108.314 -0.995 . . . . 0.17 108.314 179.549 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 591' ' ' ARG . . . . . 0.686 ' HA ' HG13 ' A' ' 573' ' ' VAL . 25.9 ptt180 -144.89 161.39 39.44 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.864 0.69 . . . . 3.0 112.864 -171.767 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 592' ' ' MET . . . . . 0.605 ' HG2' HG11 ' A' ' 573' ' ' VAL . 0.2 OUTLIER -64.16 129.16 38.88 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 114.899 -1.046 . . . . 0.33 111.219 -171.748 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 593' ' ' SER . . . . . 0.495 ' HA ' ' ND1' ' A' ' 523' ' ' HIS . 20.2 t -88.52 129.06 35.55 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.404 -0.362 . . . . 1.04 111.051 -178.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 20.0 m -96.02 -29.59 14.05 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.388 -0.369 . . . . 1.6 110.469 178.503 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -59.84 -40.8 89.73 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.12 -0.491 . . . . 2.94 111.084 -178.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -118.48 132.75 56.22 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.979 0.419 . . . . 0.93 110.388 -179.065 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 44.5 mmtm -91.82 -33.8 14.82 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.756 -0.831 . . . . 3.4 108.756 171.285 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -146.82 149.93 34.29 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.414 -1.266 . . . . 2.02 108.452 174.809 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 599' ' ' LEU . . . . . 0.591 HD12 ' HB2' ' A' ' 562' ' ' GLU . 92.9 mt . . . . . 0 C--N 1.322 -0.603 0 N-CA-C 109.913 -0.403 . . . . 1.02 109.913 -179.514 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 521' ' ' VAL . . . . . 0.413 HG23 ' HA ' ' A' ' 598' ' ' GLU . 90.5 t . . . . . 0 N--CA 1.449 -0.51 0 CA-C-O 121.065 0.459 . . . . 0.44 110.234 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 522' ' ' VAL . . . . . 0.418 HG13 ' O ' ' A' ' 591' ' ' ARG . 73.7 t -102.31 133.97 44.41 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.088 0 CA-C-N 115.81 -0.632 . . . . 0.25 109.96 172.834 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -105.1 118.19 35.9 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.55 -0.75 . . . . 1.75 109.294 179.547 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 524' ' ' ILE . . . . . . . . . . . . . 72.5 mt -103.6 129.58 55.38 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.876 0 CA-C-N 115.45 -0.796 . . . . 0.28 109.595 178.807 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 3.1 p -126.93 175.06 8.34 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.893 -0.594 . . . . 1.28 110.635 -177.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 66.6 32.68 6.99 Favored 'General case' 0 N--CA 1.466 0.339 0 O-C-N 123.703 0.627 . . . . 1.22 109.939 -175.505 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 82.1 mt -84.66 122.68 74.83 Favored Pre-proline 0 C--N 1.322 -0.613 0 CA-C-N 115.645 -0.707 . . . . 0.6 110.194 -178.625 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 528' ' ' PRO . . . . . 0.405 ' HD2' ' SG ' ' A' ' 532' ' ' CYS . 19.8 Cg_endo -64.19 130.45 27.2 Favored 'Trans proline' 0 C--O 1.236 0.42 0 C-N-CA 121.896 1.731 . . . . 0.62 112.262 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -69.71 126.74 30.62 Favored 'General case' 0 N--CA 1.443 -0.823 0 CA-C-N 115.243 -0.89 . . . . 2.98 111.037 -179.21 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 75.79 15.65 81.18 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 121.047 -0.597 . . . . 0.94 112.682 177.793 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 9.2 m -121.45 -33.87 3.56 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 120.92 0.391 . . . . 1.17 111.455 -178.1 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 532' ' ' CYS . . . . . 0.405 ' SG ' ' HD2' ' A' ' 528' ' ' PRO . 39.7 m -84.95 137.14 33.28 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.317 -0.402 . . . . 0.77 111.137 -175.778 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 70.9 p -105.29 170.6 7.79 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.471 -0.566 . . . . 0.54 109.471 175.159 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -62.26 -38.65 90.11 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.147 0.498 . . . . 1.32 109.699 176.754 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -68.35 -44.44 75.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.503 -0.771 . . . . 1.95 111.995 -176.093 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 536' ' ' ASP . . . . . 0.504 ' O ' ' HG ' ' A' ' 540' ' ' LEU . 69.4 m-20 -60.64 -46.86 88.71 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 120.735 0.303 . . . . 0.52 111.31 -173.818 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 61.4 t -63.34 -43.78 98.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.006 -0.543 . . . . 0.25 110.795 -177.626 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 78.6 mt -66.82 -44.57 89.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 0.24 110.415 178.425 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 539' ' ' ASN . . . . . 0.507 ' O ' ' HD3' ' A' ' 543' ' ' PRO . 95.2 m-20 -61.58 -28.95 69.71 Favored 'General case' 0 C--O 1.225 -0.216 0 CA-C-N 115.892 -0.595 . . . . 1.07 111.678 -178.562 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 540' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' A' ' 536' ' ' ASP . 46.9 mt -74.56 -34.71 62.98 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 111.627 0.232 . . . . 0.36 111.627 178.091 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -75.34 -43.46 25.08 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.225 -0.988 . . . . 0.22 112.03 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 542' ' ' LEU . . . . . 0.479 ' HA ' ' O ' ' A' ' 545' ' ' GLY . 79.1 mt -47.54 -44.7 55.54 Favored Pre-proline 0 CA--C 1.546 0.818 0 N-CA-C 115.323 1.601 . . . . 0.25 115.323 -173.484 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 543' ' ' PRO . . . . . 0.507 ' HD3' ' O ' ' A' ' 539' ' ' ASN . 76.0 Cg_exo -50.47 -34.9 43.6 Favored 'Trans proline' 0 C--N 1.357 1.021 0 C-N-CA 122.01 1.806 . . . . 0.19 115.724 -171.698 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -110.91 -18.8 13.0 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 119.861 -0.736 . . . . 0.35 112.795 179.316 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 545' ' ' GLY . . . . . 0.479 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . -143.72 138.65 8.23 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.679 -0.772 . . . . 1.14 112.973 175.034 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 546' ' ' LYS . . . . . 0.41 ' O ' ' HA ' ' A' ' 563' ' ' MET . 59.4 tptt -78.95 142.54 36.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.645 0.259 . . . . 1.56 110.748 -177.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 547' ' ' VAL . . . . . 0.402 HG11 HD11 ' A' ' 561' ' ' LEU . 92.1 t -104.68 136.02 40.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.988 -0.551 . . . . 0.25 111.473 -175.563 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 39.2 p -96.41 -40.13 9.26 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.064 -0.516 . . . . 0.37 111.076 177.339 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -163.61 168.92 19.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.984 -0.553 . . . . 1.43 109.635 179.728 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 14.1 p90 -140.55 150.83 44.17 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.877 0.37 . . . . 0.47 111.325 -174.271 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 551' ' ' ILE . . . . . 0.456 HD12 HD22 ' A' ' 599' ' ' LEU . 50.8 mt -132.21 122.65 48.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 108.952 -0.758 . . . . 0.37 108.952 172.14 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 552' ' ' LEU . . . . . . . . . . . . . 91.0 mt -110.78 113.59 26.3 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 120.931 0.396 . . . . 0.45 111.442 -177.232 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 58.8 mtt -109.62 84.06 1.86 Allowed 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.247 -0.649 . . . . 1.18 109.247 171.314 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp -67.65 -30.91 70.59 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.0 -0.545 . . . . 1.45 110.722 -175.348 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 65.7 p -60.07 -27.93 67.38 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.458 -0.792 . . . . 1.11 111.401 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 81.8 p -98.58 8.0 45.45 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.488 -0.323 . . . . 0.88 110.965 -177.802 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 55.95 42.58 28.55 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.498 -0.774 . . . . 2.35 110.04 -176.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -144.41 149.76 36.6 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.547 -0.751 . . . . 2.07 110.838 -173.835 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -130.01 142.74 50.59 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 115.626 -0.715 . . . . 0.27 109.491 174.225 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 560' ' ' PHE . . . . . 0.431 ' HB3' HD21 ' A' ' 599' ' ' LEU . 83.8 m-85 -124.06 126.14 45.73 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.229 0.537 . . . . 0.33 109.614 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 561' ' ' LEU . . . . . 0.64 ' HB3' ' HE1' ' A' ' 563' ' ' MET . 15.7 tp -129.78 132.52 46.56 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 115.505 -0.771 . . . . 0.22 109.026 -173.359 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 562' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -100.11 128.53 46.17 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-O 121.14 0.495 . . . . 1.85 110.53 -177.488 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 563' ' ' MET . . . . . 0.692 ' HG2' ' SD ' ' A' ' 572' ' ' MET . 1.0 OUTLIER -103.45 137.66 41.24 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.574 -0.739 . . . . 0.96 110.311 -179.15 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -60.19 -38.12 82.31 Favored 'General case' 0 C--O 1.218 -0.559 0 CA-C-N 114.393 -1.276 . . . . 0.36 111.651 -174.226 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -117.42 141.16 48.67 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.537 -0.542 . . . . 1.27 109.537 -177.354 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 9.7 t -64.76 -34.88 79.37 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.217 -0.447 . . . . 0.52 110.398 179.132 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -67.87 -36.05 79.59 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.094 -0.503 . . . . 1.91 110.904 176.29 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 568' ' ' ALA . . . . . 0.447 ' HB1' ' HA2' ' A' ' 545' ' ' GLY . . . -62.65 -46.09 89.83 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.992 -0.549 . . . . 0.28 110.603 179.611 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 569' ' ' ALA . . . . . 0.858 ' HA ' ' SD ' ' A' ' 572' ' ' MET . . . -63.38 -45.23 92.07 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.688 -0.687 . . . . 0.19 111.522 -178.441 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 570' ' ' GLN . . . . . 0.536 ' O ' ' HG3' ' A' ' 574' ' ' GLN . 48.7 mt-30 -68.32 -45.9 71.71 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.147 -0.479 . . . . 1.21 111.193 -178.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -66.01 -35.52 80.79 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.527 -0.306 . . . . 0.31 111.506 -176.722 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 572' ' ' MET . . . . . 0.858 ' SD ' ' HA ' ' A' ' 569' ' ' ALA . 4.2 ptm -67.17 -45.94 75.47 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.84 -0.429 . . . . 0.62 109.84 179.243 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 573' ' ' VAL . . . . . 0.535 HG13 ' HA ' ' A' ' 591' ' ' ARG . 55.5 t -66.67 -36.92 78.42 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.444 0 CA-C-N 116.281 -0.418 . . . . 0.21 110.66 -178.815 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 574' ' ' GLN . . . . . 0.536 ' HG3' ' O ' ' A' ' 570' ' ' GLN . 55.7 mt-30 -58.55 -36.33 73.73 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.683 -0.488 . . . . 1.9 109.683 176.887 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 81.9 t80 -68.23 -50.35 54.63 Favored 'General case' 0 C--O 1.221 -0.412 0 CA-C-N 116.446 -0.343 . . . . 0.52 111.014 173.684 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 576' ' ' TYR . . . . . 0.426 ' CB ' ' HB ' ' A' ' 590' ' ' ILE . 28.1 m-85 -74.08 -16.08 61.04 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 112.329 0.492 . . . . 0.34 112.329 -173.362 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 67.4 mm-40 -74.99 -30.76 61.26 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 120.743 0.306 . . . . 1.84 111.192 173.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -98.5 -40.18 8.38 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.002 0.43 . . . . 2.07 111.295 177.683 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 60.0 mtpt -128.55 81.8 69.93 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-N 115.857 -0.61 . . . . 2.07 109.528 177.146 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -70.01 160.12 50.77 Favored 'Trans proline' 0 C--O 1.234 0.292 0 C-N-CA 123.548 2.832 . . . . 0.19 112.565 -174.694 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 581' ' ' ALA . . . . . 0.447 ' HB1' HD22 ' A' ' 540' ' ' LEU . . . -92.56 153.43 19.05 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.143 -0.48 . . . . 0.2 110.458 -175.172 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 60.7 mt -121.25 135.88 59.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 112.018 0.377 . . . . 0.54 112.018 -170.333 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 583' ' ' ILE . . . . . 0.425 HD12 HD11 ' A' ' 588' ' ' LEU . 24.4 mt -122.29 120.96 62.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 116.241 -0.436 . . . . 0.73 110.199 171.349 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 56.59 35.7 26.47 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 115.977 -0.556 . . . . 1.46 111.718 177.024 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 85.56 1.75 87.47 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.786 -0.721 . . . . 0.67 112.847 177.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -106.5 127.01 52.98 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.794 0.33 . . . . 1.93 110.348 179.041 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -81.23 118.52 22.66 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.104 -0.498 . . . . 2.12 110.303 -178.299 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 588' ' ' LEU . . . . . 0.425 HD11 HD12 ' A' ' 583' ' ' ILE . 37.6 mt -90.12 140.45 29.64 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.856 -0.611 . . . . 0.28 110.212 -179.553 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 59.0 tp -89.52 108.1 19.46 Favored 'General case' 0 C--N 1.312 -1.046 0 N-CA-C 108.621 -0.881 . . . . 0.38 108.621 171.146 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 590' ' ' ILE . . . . . 0.426 ' HB ' ' CB ' ' A' ' 576' ' ' TYR . 52.5 mt -97.17 114.3 33.81 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 N-CA-C 107.648 -1.242 . . . . 0.17 107.648 174.486 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 591' ' ' ARG . . . . . 0.535 ' HA ' HG13 ' A' ' 573' ' ' VAL . 12.4 ptm180 -137.95 163.56 31.22 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.185 0.516 . . . . 3.0 112.289 -172.368 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 592' ' ' MET . . . . . 0.524 ' HG2' HG11 ' A' ' 573' ' ' VAL . 0.1 OUTLIER -66.77 129.73 40.84 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.404 -0.816 . . . . 0.33 109.452 177.839 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 92.4 p -72.64 138.64 46.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.025 0.44 . . . . 1.04 110.17 179.756 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 14.0 p -98.66 -15.47 19.4 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 116.095 -0.502 . . . . 1.6 111.503 -178.151 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 51.2 mtm180 -107.34 -12.31 15.36 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 111.822 0.305 . . . . 2.94 111.822 -176.368 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 35.6 m-85 -122.57 133.43 54.55 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.945 0.402 . . . . 0.93 111.048 -176.256 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -92.66 -41.96 9.89 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.277 0.56 . . . . 3.4 109.55 172.116 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 598' ' ' GLU . . . . . 0.413 ' HA ' HG23 ' A' ' 521' ' ' VAL . 0.6 OUTLIER -152.87 163.29 40.04 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.131 -0.94 . . . . 2.02 109.026 178.103 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 599' ' ' LEU . . . . . 0.456 HD22 HD12 ' A' ' 551' ' ' ILE . 98.1 mt . . . . . 0 C--N 1.322 -0.617 0 N-CA-C 109.986 -0.375 . . . . 1.02 109.986 179.435 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 521' ' ' VAL . . . . . 0.478 HG22 ' HG ' ' A' ' 599' ' ' LEU . 74.0 t . . . . . 0 N--CA 1.449 -0.512 0 CA-C-O 121.471 0.653 . . . . 0.44 111.728 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 522' ' ' VAL . . . . . . . . . . . . . 84.5 t -106.7 135.25 45.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-N 114.861 -1.063 . . . . 0.25 108.983 173.295 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 4.2 p-80 -105.37 137.03 43.84 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.238 -0.585 . . . . 1.75 109.587 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 524' ' ' ILE . . . . . 0.619 HD12 HG13 ' A' ' 537' ' ' VAL . 74.1 mt -111.36 125.48 68.68 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.952 0 CA-C-N 115.588 -0.733 . . . . 0.28 110.191 179.34 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 525' ' ' CYS . . . . . 0.496 ' SG ' ' HB3' ' A' ' 589' ' ' LEU . 22.7 p -118.15 176.53 5.17 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.664 -0.698 . . . . 1.28 110.195 -178.523 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 526' ' ' ASN . . . . . 0.401 ' HB2' ' O ' ' A' ' 525' ' ' CYS . 18.7 m120 69.76 26.52 4.85 Favored 'General case' 0 N--CA 1.464 0.237 0 O-C-N 123.829 0.705 . . . . 1.22 110.349 -177.442 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 79.0 mt -81.81 121.72 79.6 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 115.764 -0.653 . . . . 0.6 111.485 -176.405 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 528' ' ' PRO . . . . . 0.49 ' HD2' ' SG ' ' A' ' 532' ' ' CYS . 45.9 Cg_endo -69.28 133.01 25.35 Favored 'Trans proline' 0 C--O 1.236 0.424 0 C-N-CA 122.875 2.384 . . . . 0.62 111.823 174.596 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -67.52 124.62 23.71 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.905 -0.589 . . . . 2.98 111.135 -177.214 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 73.15 5.96 67.51 Favored Glycine 0 CA--C 1.519 0.327 0 CA-C-N 116.131 -0.486 . . . . 0.94 113.703 174.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 23.6 t -104.9 -35.56 7.66 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 117.301 0.55 . . . . 1.17 110.613 -179.143 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 532' ' ' CYS . . . . . 0.49 ' SG ' ' HD2' ' A' ' 528' ' ' PRO . 76.5 m -85.91 141.96 29.19 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.371 -0.377 . . . . 0.77 110.17 176.089 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 46.8 p -105.39 170.02 8.13 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.81 -0.441 . . . . 0.54 109.81 178.662 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -55.34 -44.13 75.62 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.23 0.538 . . . . 1.32 109.845 175.786 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -66.27 -43.11 87.37 Favored 'General case' 0 C--O 1.221 -0.436 0 CA-C-N 115.289 -0.869 . . . . 1.95 111.641 -175.139 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 536' ' ' ASP . . . . . 0.6 ' O ' ' HG ' ' A' ' 540' ' ' LEU . 15.7 m-20 -58.55 -46.81 86.06 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.881 -0.328 . . . . 0.52 111.356 -177.26 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 537' ' ' VAL . . . . . 0.619 HG13 HD12 ' A' ' 524' ' ' ILE . 48.6 t -62.36 -45.48 98.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.961 -0.563 . . . . 0.25 110.734 -177.6 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 88.9 mt -67.26 -44.96 87.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.915 -0.584 . . . . 0.24 110.925 179.204 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 539' ' ' ASN . . . . . 0.535 ' O ' ' HD3' ' A' ' 543' ' ' PRO . 5.8 m-20 -62.93 -28.28 69.96 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.495 -0.775 . . . . 1.07 111.832 -177.43 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 540' ' ' LEU . . . . . 0.6 ' HG ' ' O ' ' A' ' 536' ' ' ASP . 31.6 mt -66.25 -38.93 89.03 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 111.74 0.274 . . . . 0.36 111.74 178.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -74.89 -39.18 39.46 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.28 -0.962 . . . . 0.22 112.455 -177.601 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 542' ' ' LEU . . . . . 0.524 ' HA ' ' O ' ' A' ' 545' ' ' GLY . 79.1 mt -48.72 -46.62 72.41 Favored Pre-proline 0 CA--C 1.543 0.707 0 N-CA-C 114.969 1.47 . . . . 0.25 114.969 -172.838 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 543' ' ' PRO . . . . . 0.535 ' HD3' ' O ' ' A' ' 539' ' ' ASN . 69.7 Cg_exo -49.74 -33.75 33.28 Favored 'Trans proline' 0 C--N 1.358 1.027 0 C-N-CA 122.191 1.928 . . . . 0.19 115.374 -173.29 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 544' ' ' PHE . . . . . 0.503 ' HB2' ' CB ' ' A' ' 572' ' ' MET . 93.6 m-85 -111.32 -17.98 13.03 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 113.012 0.745 . . . . 0.35 113.012 178.809 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 545' ' ' GLY . . . . . 0.524 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . -149.67 141.74 9.13 Favored Glycine 0 CA--C 1.522 0.503 0 C-N-CA 120.912 -0.661 . . . . 1.14 112.935 177.004 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 546' ' ' LYS . . . . . 0.434 ' O ' ' HA ' ' A' ' 563' ' ' MET . 59.1 tptt -74.41 135.59 42.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.758 0.313 . . . . 1.56 111.377 -178.609 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 547' ' ' VAL . . . . . 0.481 ' HA ' ' O ' ' A' ' 562' ' ' GLU . 89.3 t -91.68 136.08 25.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.646 -0.706 . . . . 0.25 110.961 179.128 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 31.7 p -104.31 -38.26 6.92 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.771 -0.65 . . . . 0.37 111.505 176.393 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 60.3 m-80 -150.12 165.79 31.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.011 -0.54 . . . . 1.43 110.248 -176.142 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 18.2 p90 -146.83 149.66 33.73 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 110.005 -0.368 . . . . 0.47 110.005 173.451 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 551' ' ' ILE . . . . . 0.404 HD12 HD22 ' A' ' 599' ' ' LEU . 34.6 mt -137.59 127.35 36.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 109.078 -0.712 . . . . 0.37 109.078 173.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 552' ' ' LEU . . . . . . . . . . . . . 53.4 mt -110.18 110.78 21.75 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 116.111 -0.495 . . . . 0.45 111.179 -175.107 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 26.3 mmt -96.04 84.11 3.76 Favored 'General case' 0 N--CA 1.445 -0.694 0 N-CA-C 108.865 -0.791 . . . . 1.18 108.865 175.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -68.6 -29.42 67.94 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.229 -0.896 . . . . 1.45 109.804 -179.455 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 61.2 p -63.16 -31.48 72.63 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.19 -0.914 . . . . 1.11 111.878 178.492 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 82.8 p -105.22 3.15 29.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.872 0.367 . . . . 0.88 110.574 -178.72 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 56.92 41.52 27.71 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.175 -0.92 . . . . 2.35 110.87 -176.446 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 -137.94 150.07 46.73 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.938 -0.574 . . . . 2.07 110.242 -174.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -129.95 143.79 50.98 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.724 0.297 . . . . 0.27 111.032 -178.576 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 560' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -126.18 132.99 51.68 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.866 -0.607 . . . . 0.33 110.131 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 561' ' ' LEU . . . . . 0.489 ' HB3' ' HE1' ' A' ' 563' ' ' MET . 18.1 tp -127.16 138.7 53.2 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.049 -0.523 . . . . 0.22 109.971 -175.716 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 562' ' ' GLU . . . . . 0.481 ' O ' ' HA ' ' A' ' 547' ' ' VAL . 30.8 tt0 -107.63 138.85 43.11 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.481 0.182 . . . . 1.85 110.966 -175.442 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 563' ' ' MET . . . . . 0.493 ' HE2' ' SD ' ' A' ' 572' ' ' MET . 1.2 mpt? -116.33 142.86 46.3 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.323 0.582 . . . . 0.96 111.779 -177.388 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -67.24 -23.24 65.69 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.075 -0.966 . . . . 0.36 112.317 -175.809 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -133.91 146.35 50.44 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 116.532 -0.303 . . . . 1.27 110.187 -179.121 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 4.1 t -65.39 -39.63 92.48 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.221 -0.445 . . . . 0.52 110.582 179.409 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -67.85 -31.66 71.63 Favored 'General case' 0 C--O 1.223 -0.291 0 CA-C-N 116.662 -0.245 . . . . 1.91 110.509 176.281 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 568' ' ' ALA . . . . . 0.437 ' HB1' ' CA ' ' A' ' 545' ' ' GLY . . . -62.11 -45.14 94.8 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.012 0.434 . . . . 0.28 109.923 177.839 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 569' ' ' ALA . . . . . 0.457 ' O ' ' HG2' ' A' ' 572' ' ' MET . . . -68.09 -46.3 71.37 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.782 -0.644 . . . . 0.19 111.384 178.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 570' ' ' GLN . . . . . 0.454 ' O ' ' HG3' ' A' ' 574' ' ' GLN . 50.4 mt-30 -68.51 -45.47 72.19 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.36 -0.382 . . . . 1.21 111.604 -176.821 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -62.18 -39.86 94.11 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.523 0.201 . . . . 0.31 111.393 -176.613 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 572' ' ' MET . . . . . 0.503 ' CB ' ' HB2' ' A' ' 544' ' ' PHE . 15.5 ptp -67.06 -43.45 82.65 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 109.678 -0.49 . . . . 0.62 109.678 179.413 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 573' ' ' VAL . . . . . 0.761 HG13 ' HA ' ' A' ' 591' ' ' ARG . 67.8 t -66.62 -37.04 78.72 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.666 0 CA-C-N 115.99 -0.55 . . . . 0.21 111.169 -178.91 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 574' ' ' GLN . . . . . 0.454 ' HG3' ' O ' ' A' ' 570' ' ' GLN . 55.1 mt-30 -58.56 -36.76 74.44 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.643 -0.502 . . . . 1.9 109.643 175.494 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 61.8 t80 -68.71 -50.05 53.98 Favored 'General case' 0 C--O 1.217 -0.638 0 CA-C-N 115.987 -0.551 . . . . 0.52 110.8 173.826 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 576' ' ' TYR . . . . . 0.48 ' CB ' ' HB ' ' A' ' 590' ' ' ILE . 21.1 m-85 -76.59 -16.95 59.46 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 112.95 0.722 . . . . 0.34 112.95 -172.723 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 16.7 mm-40 -74.14 -29.64 61.9 Favored 'General case' 0 C--N 1.319 -0.757 0 O-C-N 122.215 -0.303 . . . . 1.84 110.465 172.691 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -98.34 -40.52 8.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.951 0.405 . . . . 2.07 111.74 178.426 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 57.2 mtpt -131.81 80.76 64.96 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 115.91 -0.586 . . . . 2.07 109.842 179.292 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 15.7 Cg_exo -70.35 159.43 53.0 Favored 'Trans proline' 0 CA--C 1.532 0.409 0 C-N-CA 123.577 2.851 . . . . 0.19 112.451 -174.759 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -93.15 149.2 21.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.325 -0.398 . . . . 0.2 111.055 -172.221 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 582' ' ' ILE . . . . . 0.405 ' HA ' ' O ' ' A' ' 586' ' ' GLU . 61.3 mt -112.25 131.33 64.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.378 -0.374 . . . . 0.54 111.508 -175.015 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 583' ' ' ILE . . . . . 0.541 HD13 ' HB3' ' A' ' 536' ' ' ASP . 41.7 mt -122.23 117.91 53.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.291 -0.413 . . . . 0.73 110.437 173.146 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 53.72 41.83 31.97 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.854 -0.612 . . . . 1.46 111.624 177.057 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 86.33 -1.37 87.45 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.872 -0.68 . . . . 0.67 113.337 177.326 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 586' ' ' GLU . . . . . 0.405 ' O ' ' HA ' ' A' ' 582' ' ' ILE . 70.5 mm-40 -102.51 126.23 49.49 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 117.139 0.47 . . . . 1.93 110.516 178.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -81.51 107.85 14.61 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.822 -0.436 . . . . 2.12 109.822 176.012 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 588' ' ' LEU . . . . . 0.539 HD11 HD12 ' A' ' 583' ' ' ILE . 37.8 mt -87.92 129.91 35.09 Favored 'General case' 0 CA--C 1.507 -0.708 0 CA-C-N 116.183 -0.462 . . . . 0.28 110.339 -179.192 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 589' ' ' LEU . . . . . 0.496 ' HB3' ' SG ' ' A' ' 525' ' ' CYS . 48.0 tp -87.62 108.76 19.23 Favored 'General case' 0 C--N 1.311 -1.08 0 N-CA-C 108.85 -0.796 . . . . 0.38 108.85 173.399 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 590' ' ' ILE . . . . . 0.48 ' HB ' ' CB ' ' A' ' 576' ' ' TYR . 45.1 mt -97.29 115.52 37.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 N-CA-C 108.334 -0.987 . . . . 0.17 108.334 177.222 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 591' ' ' ARG . . . . . 0.761 ' HA ' HG13 ' A' ' 573' ' ' VAL . 7.7 ptp180 -147.95 166.26 28.22 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 112.635 0.606 . . . . 3.0 112.635 -175.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 592' ' ' MET . . . . . 0.581 ' HG2' HG11 ' A' ' 573' ' ' VAL . 0.2 OUTLIER -61.7 133.87 56.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.239 -0.891 . . . . 0.33 110.249 -173.232 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 22.6 t -87.1 126.77 34.99 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-O 120.879 0.371 . . . . 1.04 110.372 179.393 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 39.5 p -99.29 -7.5 26.28 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.44 0.638 . . . . 1.6 110.074 175.397 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 36.3 mmt180 -87.61 -40.27 14.35 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 115.388 -0.823 . . . . 2.94 111.04 -179.259 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -117.47 133.24 56.18 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.059 0.457 . . . . 0.93 110.795 178.82 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -92.15 -34.96 14.12 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.52 -0.764 . . . . 3.4 110.865 175.516 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -149.23 144.75 26.73 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.572 -0.74 . . . . 2.02 110.263 -177.081 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 599' ' ' LEU . . . . . 0.478 ' HG ' HG22 ' A' ' 521' ' ' VAL . 87.8 mt . . . . . 0 C--N 1.32 -0.679 0 N-CA-C 109.388 -0.597 . . . . 1.02 109.388 173.153 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 81.4 t . . . . . 0 N--CA 1.449 -0.477 0 CA-C-O 121.006 0.432 . . . . 0.44 110.475 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 522' ' ' VAL . . . . . 0.44 HG22 ' HE3' ' A' ' 592' ' ' MET . 95.1 t -101.68 133.8 44.02 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.853 0 N-CA-C 109.093 -0.706 . . . . 0.25 109.093 173.494 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -106.92 129.42 54.74 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.5 -0.556 . . . . 1.75 109.5 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 524' ' ' ILE . . . . . 0.658 HD12 HG13 ' A' ' 537' ' ' VAL . 74.6 mt -107.36 129.21 61.59 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.958 0 CA-C-N 115.793 -0.64 . . . . 0.28 109.863 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 7.6 p -121.72 174.9 6.54 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.642 -0.708 . . . . 1.28 111.094 -174.794 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 16.9 m120 66.7 33.97 6.01 Favored 'General case' 0 N--CA 1.463 0.22 0 O-C-N 123.738 0.649 . . . . 1.22 110.555 178.327 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 85.2 mt -90.32 120.99 69.04 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 115.457 -0.792 . . . . 0.6 111.176 -177.122 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 528' ' ' PRO . . . . . 0.762 ' HD2' ' SG ' ' A' ' 532' ' ' CYS . 12.6 Cg_exo -70.21 131.04 19.8 Favored 'Trans proline' 0 C--O 1.237 0.431 0 C-N-CA 122.542 2.161 . . . . 0.62 111.926 171.873 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.42 140.33 54.13 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.374 -0.375 . . . . 2.98 110.772 175.333 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 83.73 -18.45 20.29 Favored Glycine 0 N--CA 1.448 -0.52 0 CA-C-N 115.906 -0.588 . . . . 0.94 113.513 177.13 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 17.8 m -104.74 -36.8 7.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 117.325 0.563 . . . . 1.17 110.831 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 532' ' ' CYS . . . . . 0.762 ' SG ' ' HD2' ' A' ' 528' ' ' PRO . 73.5 m -87.8 124.98 34.18 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.753 0.311 . . . . 0.77 110.214 174.349 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 59.2 p -108.37 171.13 7.59 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.375 -0.375 . . . . 0.54 110.227 178.532 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -52.21 -46.94 65.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.032 0.444 . . . . 1.32 110.24 178.745 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -59.56 -43.13 93.65 Favored 'General case' 0 C--O 1.223 -0.294 0 CA-C-N 115.448 -0.796 . . . . 1.95 111.599 -177.475 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 536' ' ' ASP . . . . . 0.509 ' O ' ' HG ' ' A' ' 540' ' ' LEU . 60.8 m-20 -61.29 -47.64 85.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.837 0.351 . . . . 0.52 111.127 -174.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 537' ' ' VAL . . . . . 0.658 HG13 HD12 ' A' ' 524' ' ' ILE . 57.6 t -65.65 -44.39 93.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.723 -0.671 . . . . 0.25 110.628 -177.108 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 93.0 mt -67.0 -43.15 89.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.757 -0.656 . . . . 0.24 110.903 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 539' ' ' ASN . . . . . 0.676 ' O ' ' HD3' ' A' ' 543' ' ' PRO . 7.2 m-20 -64.4 -28.48 69.71 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.904 -0.589 . . . . 1.07 111.744 -179.301 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 540' ' ' LEU . . . . . 0.509 ' HG ' ' O ' ' A' ' 536' ' ' ASP . 37.5 mt -74.43 -28.65 61.15 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.447 0.536 . . . . 0.36 112.447 -178.562 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -79.64 -34.65 30.9 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 119.867 -1.159 . . . . 0.22 111.71 177.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 542' ' ' LEU . . . . . . . . . . . . . 66.1 mt -57.43 -35.23 32.6 Favored Pre-proline 0 CA--C 1.549 0.924 0 N-CA-C 115.835 1.791 . . . . 0.25 115.835 -174.395 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 543' ' ' PRO . . . . . 0.676 ' HD3' ' O ' ' A' ' 539' ' ' ASN . 86.1 Cg_exo -56.27 -34.34 93.47 Favored 'Trans proline' 0 C--N 1.354 0.849 0 CA-C-N 121.645 1.623 . . . . 0.19 114.904 -175.646 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 544' ' ' PHE . . . . . 0.402 ' HB2' ' CB ' ' A' ' 572' ' ' MET . 59.6 m-85 -111.84 -18.2 12.76 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 113.307 0.854 . . . . 0.35 113.307 178.63 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 545' ' ' GLY . . . . . 0.465 ' CA ' ' HB1' ' A' ' 568' ' ' ALA . . . -134.24 -162.54 9.97 Favored Glycine 0 C--O 1.224 -0.489 0 C-N-CA 120.776 -0.726 . . . . 1.14 113.354 178.223 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 546' ' ' LYS . . . . . 0.689 ' O ' ' HA ' ' A' ' 563' ' ' MET . 56.9 tptt -128.75 127.63 42.42 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 122.706 -0.29 . . . . 1.56 110.596 -179.755 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 547' ' ' VAL . . . . . 0.524 ' HA ' ' O ' ' A' ' 562' ' ' GLU . 99.5 t -91.16 130.53 40.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 123.363 0.414 . . . . 0.25 110.838 179.791 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 548' ' ' THR . . . . . 0.452 ' CG2' ' HB2' ' A' ' 564' ' ' ALA . 34.0 p -107.64 -39.16 5.68 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.911 -0.586 . . . . 0.37 111.57 176.608 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 73.0 m-20 -147.78 165.45 30.51 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.452 -0.795 . . . . 1.43 109.451 -175.319 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 17.4 p90 -153.39 148.35 26.6 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.074 0.464 . . . . 0.47 111.212 177.323 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 551' ' ' ILE . . . . . 0.433 HD12 HD22 ' A' ' 599' ' ' LEU . 15.6 mt -130.2 123.48 56.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 108.887 -0.783 . . . . 0.37 108.887 175.239 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 552' ' ' LEU . . . . . . . . . . . . . 77.2 mt -111.29 113.73 26.42 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 116.022 -0.535 . . . . 0.45 111.37 -174.171 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 54.7 mtt -108.4 84.86 2.01 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.423 -0.584 . . . . 1.18 109.423 175.369 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -68.5 -30.5 69.34 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.884 -0.598 . . . . 1.45 111.201 -177.347 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 71.7 p -60.7 -30.3 69.87 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.207 -0.451 . . . . 1.11 111.4 -179.56 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 556' ' ' THR . . . . . 0.53 ' O ' ' HG2' ' A' ' 558' ' ' GLN . 67.7 p -108.25 8.97 28.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.466 -0.334 . . . . 0.88 111.639 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 56.84 42.08 27.05 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 115.949 -0.569 . . . . 2.35 111.457 -179.567 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 558' ' ' GLN . . . . . 0.53 ' HG2' ' O ' ' A' ' 556' ' ' THR . 13.8 mm100 -136.25 148.78 48.2 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.77 0.319 . . . . 2.07 110.635 -174.599 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -134.83 144.81 47.8 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.311 -0.404 . . . . 0.27 110.839 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 560' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -123.35 126.79 47.49 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.07 -0.514 . . . . 0.33 109.664 179.289 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 15.5 tp -124.08 130.48 52.62 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.034 -0.53 . . . . 0.22 109.8 -174.16 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 562' ' ' GLU . . . . . 0.524 ' O ' ' HA ' ' A' ' 547' ' ' VAL . 39.3 tt0 -101.13 139.58 36.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.782 0.325 . . . . 1.85 111.57 -175.877 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 563' ' ' MET . . . . . 0.689 ' HA ' ' O ' ' A' ' 546' ' ' LYS . 0.6 OUTLIER -114.19 135.21 54.3 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.893 -0.594 . . . . 0.96 111.147 179.144 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 564' ' ' ALA . . . . . 0.452 ' HB2' ' CG2' ' A' ' 548' ' ' THR . . . -60.86 -29.48 69.55 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-N 115.053 -0.976 . . . . 0.36 111.175 -178.876 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -126.2 133.21 51.6 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 114.967 -1.015 . . . . 1.27 108.544 -177.387 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 5.1 t -63.67 -31.29 72.41 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.871 0.367 . . . . 0.52 110.576 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -66.66 -33.05 74.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 1.91 110.478 176.33 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 568' ' ' ALA . . . . . 0.465 ' HB1' ' CA ' ' A' ' 545' ' ' GLY . . . -65.4 -43.67 89.88 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.048 -0.524 . . . . 0.28 110.193 178.546 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 569' ' ' ALA . . . . . 0.41 ' HB2' ' HB2' ' A' ' 563' ' ' MET . . . -67.69 -46.24 72.86 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.733 -0.667 . . . . 0.19 111.233 -179.804 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 570' ' ' GLN . . . . . 0.462 ' O ' ' HG2' ' A' ' 574' ' ' GLN . 55.2 mt-30 -66.62 -45.47 78.99 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.112 -0.495 . . . . 1.21 111.147 -177.762 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -66.55 -37.82 85.79 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.559 -0.291 . . . . 0.31 111.701 -176.247 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 572' ' ' MET . . . . . 0.537 ' SD ' ' HE2' ' A' ' 563' ' ' MET . 15.8 ptp -68.08 -43.68 78.0 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.572 -0.451 . . . . 0.62 109.994 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 573' ' ' VAL . . . . . 0.622 HG13 ' HA ' ' A' ' 591' ' ' ARG . 78.1 t -66.5 -35.27 74.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.959 -0.564 . . . . 0.21 111.387 -178.506 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 574' ' ' GLN . . . . . 0.462 ' HG2' ' O ' ' A' ' 570' ' ' GLN . 29.2 mm-40 -58.02 -38.19 75.73 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.451 -0.574 . . . . 1.9 109.451 175.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 575' ' ' TYR . . . . . 0.454 ' HD2' ' CD2' ' A' ' 576' ' ' TYR . 78.5 t80 -69.77 -49.79 49.57 Favored 'General case' 0 C--O 1.218 -0.553 0 CA-C-N 115.88 -0.6 . . . . 0.52 111.117 173.262 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 576' ' ' TYR . . . . . 0.491 ' CB ' ' HB ' ' A' ' 590' ' ' ILE . 20.1 m-85 -75.91 -17.57 59.72 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 113.41 0.893 . . . . 0.34 113.41 -170.34 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -76.18 -33.26 59.31 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 119.996 -0.682 . . . . 1.84 110.71 173.718 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -95.59 -37.55 10.8 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.155 -0.475 . . . . 2.07 111.077 -178.054 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -130.06 76.26 78.27 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.0 -0.545 . . . . 2.07 109.8 177.418 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_exo -70.2 159.37 53.33 Favored 'Trans proline' 0 C--O 1.234 0.324 0 C-N-CA 123.356 2.704 . . . . 0.19 113.051 -174.321 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -93.32 153.12 18.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.662 -0.699 . . . . 0.2 110.813 -174.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 582' ' ' ILE . . . . . 0.44 HG12 ' HG2' ' A' ' 587' ' ' LYS . 49.3 mt -115.61 132.9 63.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 120.973 0.416 . . . . 0.54 111.974 -172.412 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 583' ' ' ILE . . . . . 0.586 HD12 HD11 ' A' ' 588' ' ' LEU . 22.6 mt -122.04 116.57 49.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.963 -0.562 . . . . 0.73 110.546 172.246 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 19.1 m120 50.69 45.35 27.1 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 116.07 -0.514 . . . . 1.46 112.19 -179.519 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 83.52 1.14 90.2 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.773 -0.727 . . . . 0.67 113.344 175.652 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 586' ' ' GLU . . . . . 0.407 ' O ' ' HA ' ' A' ' 582' ' ' ILE . 23.9 mm-40 -102.81 126.47 49.96 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.905 0.353 . . . . 1.93 110.193 178.13 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 587' ' ' LYS . . . . . 0.44 ' HG2' HG12 ' A' ' 582' ' ' ILE . 98.9 mttt -84.95 107.57 17.15 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.865 -0.42 . . . . 2.12 109.865 177.521 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 588' ' ' LEU . . . . . 0.586 HD11 HD12 ' A' ' 583' ' ' ILE . 35.6 mt -83.22 128.59 34.62 Favored 'General case' 0 CA--C 1.501 -0.916 0 CA-C-N 116.326 -0.397 . . . . 0.28 110.332 -177.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 32.8 tp -84.06 106.85 16.04 Favored 'General case' 0 N--CA 1.433 -1.296 0 N-CA-C 108.133 -1.062 . . . . 0.38 108.133 171.494 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 590' ' ' ILE . . . . . 0.491 ' HB ' ' CB ' ' A' ' 576' ' ' TYR . 63.8 mt -96.26 115.31 35.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 N-CA-C 107.867 -1.161 . . . . 0.17 107.867 177.325 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 591' ' ' ARG . . . . . 0.622 ' HA ' HG13 ' A' ' 573' ' ' VAL . 19.9 ptt180 -147.32 165.31 30.52 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 112.392 0.515 . . . . 3.0 112.392 -171.007 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 592' ' ' MET . . . . . 0.505 ' HG2' HG11 ' A' ' 573' ' ' VAL . 0.1 OUTLIER -63.15 143.3 57.91 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.499 -0.773 . . . . 0.33 110.637 -173.508 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 38.3 t -86.89 134.95 33.48 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.828 0.347 . . . . 1.04 110.381 176.605 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 10.8 m -99.03 -17.2 18.39 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.41 0.624 . . . . 1.6 109.807 174.216 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -85.24 -40.83 16.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.718 -0.674 . . . . 2.94 111.283 -176.473 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 43.0 m-85 -114.07 134.01 55.15 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.245 0.545 . . . . 0.93 111.385 -178.047 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -90.5 -35.61 14.99 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.109 -0.951 . . . . 3.4 109.434 173.786 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -153.61 148.92 27.04 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.204 -0.907 . . . . 2.02 109.365 -179.068 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 599' ' ' LEU . . . . . 0.45 HD12 ' HB2' ' A' ' 562' ' ' GLU . 91.5 mt . . . . . 0 C--N 1.32 -0.697 0 N-CA-C 109.568 -0.53 . . . . 1.02 109.568 175.287 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 76.5 t . . . . . 0 N--CA 1.448 -0.543 0 CA-C-O 120.95 0.405 . . . . 0.44 110.093 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 522' ' ' VAL . . . . . 0.419 HG11 ' CG2' ' A' ' 590' ' ' ILE . 83.3 t -100.93 133.1 45.26 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 CA-C-N 115.991 -0.55 . . . . 0.25 110.294 176.808 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 19.3 t-160 -106.84 117.94 35.37 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.394 -0.965 . . . . 1.75 108.394 178.182 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 524' ' ' ILE . . . . . 0.514 HD12 HG13 ' A' ' 537' ' ' VAL . 82.0 mt -101.43 129.57 52.33 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.913 0 CA-C-O 121.032 0.444 . . . . 0.28 110.474 -173.645 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 525' ' ' CYS . . . . . 0.602 ' HA ' ' OE1' ' A' ' 558' ' ' GLN . 8.5 m -114.01 171.5 7.56 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 114.959 -1.019 . . . . 1.28 110.587 -174.503 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 67.31 26.22 8.58 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.835 -0.62 . . . . 1.22 110.771 178.122 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 527' ' ' LEU . . . . . 0.477 HD21 HD13 ' A' ' 588' ' ' LEU . 82.2 mt -81.78 132.43 54.54 Favored Pre-proline 0 C--N 1.321 -0.639 0 CA-C-N 115.758 -0.655 . . . . 0.6 110.486 179.196 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 528' ' ' PRO . . . . . 0.507 ' HD2' ' SG ' ' A' ' 532' ' ' CYS . 37.4 Cg_endo -69.53 132.36 23.53 Favored 'Trans proline' 0 C--O 1.238 0.502 0 C-N-CA 122.279 1.986 . . . . 0.62 111.361 171.24 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -67.29 125.15 25.18 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.145 -0.48 . . . . 2.98 111.617 -177.322 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 77.36 -18.22 4.57 Favored Glycine 0 CA--C 1.519 0.339 0 CA-C-N 116.02 -0.536 . . . . 0.94 114.046 172.581 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 8.5 t -82.84 -33.98 26.95 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 117.274 0.537 . . . . 1.17 110.265 -177.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 532' ' ' CYS . . . . . 0.507 ' SG ' ' HD2' ' A' ' 528' ' ' PRO . 56.1 m -68.96 143.48 54.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.938 -0.574 . . . . 0.77 110.383 178.568 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 44.7 p -105.91 169.19 8.63 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.501 -0.555 . . . . 0.54 109.501 174.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -62.44 -37.71 86.92 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.485 0.66 . . . . 1.32 109.393 175.461 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -68.45 -44.17 75.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 114.951 -1.022 . . . . 1.95 111.732 -174.149 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 536' ' ' ASP . . . . . 0.469 ' O ' ' HG ' ' A' ' 540' ' ' LEU . 40.7 m-20 -60.59 -47.57 85.62 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 120.852 0.358 . . . . 0.52 111.65 -175.436 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 537' ' ' VAL . . . . . 0.514 HG13 HD12 ' A' ' 524' ' ' ILE . 76.9 t -62.5 -42.27 95.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.85 -0.614 . . . . 0.25 110.65 -176.76 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 538' ' ' ILE . . . . . 0.486 ' O ' ' HG ' ' A' ' 542' ' ' LEU . 85.2 mt -67.24 -44.95 87.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 116.097 -0.502 . . . . 0.24 110.4 177.573 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 539' ' ' ASN . . . . . 0.439 ' O ' ' HD3' ' A' ' 543' ' ' PRO . 84.7 m-20 -60.48 -28.89 68.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.796 -0.638 . . . . 1.07 111.523 -179.232 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 540' ' ' LEU . . . . . 0.514 HD22 ' HB1' ' A' ' 581' ' ' ALA . 43.3 mt -75.12 -34.31 61.67 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.013 0.375 . . . . 0.36 112.013 178.589 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -75.33 -42.81 27.06 Favored Glycine 0 N--CA 1.453 -0.195 0 C-N-CA 120.218 -0.991 . . . . 0.22 112.221 -178.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 542' ' ' LEU . . . . . 0.573 ' HA ' ' O ' ' A' ' 545' ' ' GLY . 82.1 mt -48.11 -44.31 60.42 Favored Pre-proline 0 CA--C 1.546 0.814 0 N-CA-C 114.963 1.468 . . . . 0.25 114.963 -174.372 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 543' ' ' PRO . . . . . 0.455 ' HD2' ' O ' ' A' ' 540' ' ' LEU . 44.9 Cg_exo -48.02 -34.74 23.81 Favored 'Trans proline' 0 C--N 1.36 1.176 0 C-N-CA 122.451 2.1 . . . . 0.19 115.75 -173.089 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 544' ' ' PHE . . . . . 0.54 ' HB2' ' CB ' ' A' ' 572' ' ' MET . 93.9 m-85 -112.67 -18.9 12.24 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 119.825 -0.75 . . . . 0.35 112.954 176.419 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 545' ' ' GLY . . . . . 0.573 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . -147.64 140.37 8.43 Favored Glycine 0 C--O 1.226 -0.396 0 C-N-CA 120.672 -0.775 . . . . 1.14 112.982 176.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 546' ' ' LYS . . . . . 0.48 ' O ' ' HA ' ' A' ' 563' ' ' MET . 23.9 tptm -76.64 134.7 39.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.943 0.402 . . . . 1.56 111.507 -178.666 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 547' ' ' VAL . . . . . 0.516 ' HA ' ' O ' ' A' ' 562' ' ' GLU . 96.5 t -94.55 136.49 25.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.406 -0.816 . . . . 0.25 110.579 -179.751 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 37.4 p -100.02 -40.81 7.45 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.138 -0.483 . . . . 0.37 111.496 177.657 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -163.15 168.86 20.2 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.022 -0.733 . . . . 1.43 109.022 -178.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 550' ' ' TYR . . . . . 0.464 ' CD2' HD11 ' A' ' 538' ' ' ILE . 51.0 p90 -141.4 152.08 44.02 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.979 0.418 . . . . 0.47 111.578 -174.744 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 551' ' ' ILE . . . . . 0.453 HD12 HD22 ' A' ' 599' ' ' LEU . 46.4 mt -122.34 121.57 64.14 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.578 0 N-CA-C 108.119 -1.067 . . . . 0.37 108.119 167.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 552' ' ' LEU . . . . . . . . . . . . . 50.7 mt -111.62 111.29 22.18 Favored 'General case' 0 C--N 1.311 -1.098 0 CA-C-N 116.282 -0.417 . . . . 0.45 110.517 -177.735 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 60.9 mtt -107.13 85.06 2.07 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 109.199 -0.667 . . . . 1.18 109.199 176.352 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.52 -28.73 69.39 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 108.768 -0.827 . . . . 1.45 108.768 179.167 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 62.1 p -58.21 -23.94 57.41 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 114.609 -1.178 . . . . 1.11 112.223 176.136 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 77.4 p -107.7 3.85 25.1 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-O 121.24 0.543 . . . . 0.88 109.952 179.109 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 52.2 t30 54.56 41.24 32.07 Favored 'General case' 0 N--CA 1.456 -0.156 0 CA-C-N 114.705 -1.134 . . . . 2.35 110.556 -176.191 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 558' ' ' GLN . . . . . 0.602 ' OE1' ' HA ' ' A' ' 525' ' ' CYS . 13.7 mm100 -147.09 164.88 31.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.753 -0.658 . . . . 2.07 109.782 -175.383 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -132.87 149.88 52.21 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.811 0.339 . . . . 0.27 111.78 -178.475 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 560' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 -124.42 128.69 49.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.775 -0.648 . . . . 0.33 109.289 176.86 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 561' ' ' LEU . . . . . 0.55 ' HB3' ' HE1' ' A' ' 563' ' ' MET . 15.2 tp -131.75 131.46 43.0 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 110.19 -0.3 . . . . 0.22 110.19 -173.376 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 562' ' ' GLU . . . . . 0.516 ' O ' ' HA ' ' A' ' 547' ' ' VAL . 33.3 tt0 -100.78 138.89 37.24 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-O 120.99 0.424 . . . . 1.85 111.095 -178.792 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 563' ' ' MET . . . . . 0.634 ' HE2' ' SD ' ' A' ' 572' ' ' MET . 0.9 OUTLIER -112.43 139.91 47.61 Favored 'General case' 0 N--CA 1.444 -0.741 0 CA-C-N 115.722 -0.672 . . . . 0.96 110.368 177.469 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -60.82 -19.15 59.19 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.129 -0.941 . . . . 0.36 111.244 -178.137 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 29.4 m-85 -133.79 137.19 44.99 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 115.363 -0.835 . . . . 1.27 109.048 -178.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 566' ' ' THR . . . . . 0.522 ' O ' ' HG3' ' A' ' 570' ' ' GLN . 8.9 t -65.65 -34.43 78.21 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.357 -0.608 . . . . 0.52 109.357 176.322 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 567' ' ' GLU . . . . . 0.544 ' CD ' ' H ' ' A' ' 567' ' ' GLU . 1.2 mp0 -62.05 -39.23 91.68 Favored 'General case' 0 CA--C 1.515 -0.382 0 CA-C-N 115.964 -0.562 . . . . 1.91 110.482 174.723 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 568' ' ' ALA . . . . . 0.569 ' HB1' ' CA ' ' A' ' 545' ' ' GLY . . . -62.48 -43.76 98.03 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.474 -0.784 . . . . 0.28 110.772 179.407 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 569' ' ' ALA . . . . . 0.419 ' O ' ' HG2' ' A' ' 572' ' ' MET . . . -67.59 -45.94 74.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.017 -0.538 . . . . 0.19 111.235 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 570' ' ' GLN . . . . . 0.522 ' HG3' ' O ' ' A' ' 566' ' ' THR . 75.7 mt-30 -64.61 -45.18 88.03 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.198 -0.456 . . . . 1.21 110.713 -179.213 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -62.01 -41.46 98.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.906 -0.588 . . . . 0.31 111.592 -175.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 572' ' ' MET . . . . . 0.634 ' SD ' ' HE2' ' A' ' 563' ' ' MET . 15.9 ptp -69.11 -44.47 72.36 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.778 -0.369 . . . . 0.62 110.479 -178.377 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 573' ' ' VAL . . . . . 0.576 HG13 ' HA ' ' A' ' 591' ' ' ARG . 69.7 t -66.95 -37.83 80.17 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.531 0 CA-C-N 116.196 -0.456 . . . . 0.21 111.397 -175.345 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 574' ' ' GLN . . . . . 0.485 ' HA ' ' OE1' ' A' ' 574' ' ' GLN . 14.4 mm-40 -59.65 -36.57 76.68 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.975 -0.38 . . . . 1.9 109.975 177.145 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 575' ' ' TYR . . . . . 0.432 ' HD2' ' CD2' ' A' ' 576' ' ' TYR . 89.4 t80 -68.62 -49.65 57.56 Favored 'General case' 0 C--O 1.218 -0.565 0 CA-C-N 115.987 -0.551 . . . . 0.52 110.806 172.855 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 576' ' ' TYR . . . . . 0.479 ' CB ' ' HB ' ' A' ' 590' ' ' ILE . 23.5 m-85 -73.61 -16.74 61.23 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 112.935 0.717 . . . . 0.34 112.935 -172.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -78.39 -28.04 46.87 Favored 'General case' 0 C--N 1.317 -0.842 0 O-C-N 121.806 -0.559 . . . . 1.84 110.596 175.219 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -97.73 -39.12 9.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.018 0.437 . . . . 2.07 111.156 177.269 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 30.6 mtpp -130.29 80.63 70.22 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-N 115.927 -0.579 . . . . 2.07 109.635 176.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -69.32 159.86 52.1 Favored 'Trans proline' 0 CA--C 1.529 0.252 0 C-N-CA 123.65 2.9 . . . . 0.19 113.329 -172.635 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 581' ' ' ALA . . . . . 0.514 ' HB1' HD22 ' A' ' 540' ' ' LEU . . . -92.69 153.62 18.84 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.802 -0.636 . . . . 0.2 110.456 -175.242 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 582' ' ' ILE . . . . . 0.478 HG12 ' HG3' ' A' ' 587' ' ' LYS . 17.5 mt -117.32 133.08 65.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 112.691 0.626 . . . . 0.54 112.691 -167.213 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 583' ' ' ILE . . . . . 0.449 HG13 HD11 ' A' ' 540' ' ' LEU . 35.2 mt -128.41 128.7 68.54 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.115 0 CA-C-N 115.846 -0.616 . . . . 0.73 109.67 169.748 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 11.1 m120 59.77 33.72 21.8 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 122.766 0.427 . . . . 1.46 111.044 178.12 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 76.5 5.66 82.92 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.779 -0.724 . . . . 0.67 112.118 -179.494 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -105.79 127.83 53.34 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.778 0.323 . . . . 1.93 110.176 -178.866 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 587' ' ' LYS . . . . . 0.478 ' HG3' HG12 ' A' ' 582' ' ' ILE . 0.1 OUTLIER -84.2 111.09 19.05 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.978 0.418 . . . . 2.12 110.121 -177.821 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 588' ' ' LEU . . . . . 0.477 HD13 HD21 ' A' ' 527' ' ' LEU . 32.8 mt -81.83 134.1 35.39 Favored 'General case' 0 CA--C 1.508 -0.644 0 CA-C-N 115.845 -0.616 . . . . 0.28 110.294 -176.575 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 54.7 tp -84.7 107.36 16.85 Favored 'General case' 0 C--N 1.312 -1.036 0 N-CA-C 108.558 -0.905 . . . . 0.38 108.558 171.613 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 590' ' ' ILE . . . . . 0.479 ' HB ' ' CB ' ' A' ' 576' ' ' TYR . 59.7 mt -96.9 115.11 35.57 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 N-CA-C 108.15 -1.055 . . . . 0.17 108.15 177.609 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 591' ' ' ARG . . . . . 0.576 ' HA ' HG13 ' A' ' 573' ' ' VAL . 3.8 ptp180 -135.09 161.4 35.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.202 0.525 . . . . 3.0 112.021 -172.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 592' ' ' MET . . . . . 0.536 ' HG2' HG11 ' A' ' 573' ' ' VAL . 0.1 OUTLIER -66.47 133.79 51.13 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.417 -0.811 . . . . 0.33 109.916 179.035 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 32.7 t -83.78 132.29 34.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.817 0.341 . . . . 1.04 111.091 -177.044 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 11.1 t -98.96 -7.79 26.46 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.158 -0.473 . . . . 1.6 110.046 173.761 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 88.1 mtt180 -82.46 -39.25 22.81 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.208 -0.451 . . . . 2.94 110.438 -179.467 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -131.55 134.46 46.11 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.199 -0.455 . . . . 0.93 110.545 -179.525 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 5.3 tppp? -86.81 -36.77 18.34 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.741 -0.837 . . . . 3.4 108.741 171.397 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -140.17 153.41 46.62 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 114.809 -1.087 . . . . 2.02 109.261 178.543 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 599' ' ' LEU . . . . . 0.462 HD12 ' HB2' ' A' ' 562' ' ' GLU . 90.3 mt . . . . . 0 C--N 1.324 -0.511 0 CA-C-O 121.547 0.689 . . . . 1.02 109.969 178.826 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 521' ' ' VAL . . . . . 0.464 HG22 ' HG ' ' A' ' 599' ' ' LEU . 71.0 t . . . . . 0 N--CA 1.446 -0.645 0 CA-C-O 121.098 0.475 . . . . 0.44 109.799 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 522' ' ' VAL . . . . . 0.412 HG21 ' HE3' ' A' ' 563' ' ' MET . 57.4 t -102.04 134.7 41.88 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.026 0 CA-C-N 115.933 -0.576 . . . . 0.25 109.716 177.049 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 10.7 t-160 -105.42 118.88 37.7 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.658 -0.497 . . . . 1.75 109.658 -176.109 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 524' ' ' ILE . . . . . . . . . . . . . 68.3 mt -102.62 127.72 56.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 115.864 -0.607 . . . . 0.28 109.792 -178.651 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 8.3 m -114.77 169.85 8.76 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.634 -0.712 . . . . 1.28 111.354 -171.499 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 66.84 33.37 6.09 Favored 'General case' 0 N--CA 1.464 0.249 0 O-C-N 123.878 0.737 . . . . 1.22 111.456 174.239 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 527' ' ' LEU . . . . . 0.47 HD21 HD13 ' A' ' 588' ' ' LEU . 79.9 mt -86.29 121.28 72.57 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 116.191 -0.458 . . . . 0.6 111.572 -176.608 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 528' ' ' PRO . . . . . 0.457 ' HD2' ' SG ' ' A' ' 532' ' ' CYS . 37.3 Cg_endo -69.27 132.1 23.37 Favored 'Trans proline' 0 C--O 1.237 0.464 0 C-N-CA 122.601 2.201 . . . . 0.62 111.877 174.43 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -67.49 125.59 26.64 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.097 -0.501 . . . . 2.98 111.5 -178.007 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 80.59 -17.77 10.08 Favored Glycine 0 N--CA 1.451 -0.308 0 CA-C-N 115.997 -0.547 . . . . 0.94 113.482 175.496 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 531' ' ' SER . . . . . 0.406 ' HB2' ' HG2' ' A' ' 528' ' ' PRO . 11.4 m -84.86 -36.84 21.3 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 117.091 0.446 . . . . 1.17 110.67 -177.587 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 532' ' ' CYS . . . . . 0.457 ' SG ' ' HD2' ' A' ' 528' ' ' PRO . 76.2 m -87.11 139.18 30.83 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.41 -0.359 . . . . 0.77 110.147 176.04 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 65.1 p -106.0 166.86 10.19 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.806 -0.442 . . . . 0.54 109.806 175.705 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 534' ' ' GLU . . . . . 0.516 ' HG2' ' CD1' ' A' ' 552' ' ' LEU . 42.9 mt-10 -54.81 -45.45 74.38 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.411 0.624 . . . . 1.32 109.954 179.551 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 13.8 t30 -59.61 -38.46 81.34 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 114.791 -1.095 . . . . 1.95 111.712 -177.508 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 536' ' ' ASP . . . . . 0.535 ' O ' ' HG ' ' A' ' 540' ' ' LEU . 56.4 m-20 -64.39 -48.6 74.81 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 120.982 0.42 . . . . 0.52 110.723 -179.356 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 59.2 t -63.53 -44.02 98.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.414 -0.812 . . . . 0.25 110.9 -174.321 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 87.7 mt -65.28 -45.83 92.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.793 -0.64 . . . . 0.24 110.97 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 539' ' ' ASN . . . . . 0.689 ' O ' ' HD3' ' A' ' 543' ' ' PRO . 89.5 m-20 -66.22 -27.67 68.15 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.978 -0.556 . . . . 1.07 112.201 -175.487 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 540' ' ' LEU . . . . . 0.535 ' HG ' ' O ' ' A' ' 536' ' ' ASP . 29.6 mt -65.21 -36.26 83.61 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.341 0.497 . . . . 0.36 112.341 -179.291 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -79.56 -32.42 37.79 Favored Glycine 0 CA--C 1.516 0.128 0 C-N-CA 120.273 -0.965 . . . . 0.22 112.261 -179.314 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 542' ' ' LEU . . . . . 0.427 HD12 ' HA ' ' A' ' 539' ' ' ASN . 75.5 mt -52.81 -37.99 53.58 Favored Pre-proline 0 CA--C 1.554 1.097 0 N-CA-C 115.704 1.742 . . . . 0.25 115.704 -175.742 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 543' ' ' PRO . . . . . 0.689 ' HD3' ' O ' ' A' ' 539' ' ' ASN . 71.3 Cg_exo -50.66 -33.51 39.98 Favored 'Trans proline' 0 C--N 1.354 0.862 0 C-N-CA 121.592 1.528 . . . . 0.19 115.351 -175.564 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 544' ' ' PHE . . . . . 0.575 ' HB2' ' CB ' ' A' ' 572' ' ' MET . 82.5 m-85 -111.56 -19.97 12.34 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 113.055 0.761 . . . . 0.35 113.055 176.679 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 545' ' ' GLY . . . . . 0.623 ' CA ' ' HB1' ' A' ' 568' ' ' ALA . . . -135.31 -161.77 9.46 Favored Glycine 0 C--O 1.223 -0.542 0 C-N-CA 120.421 -0.895 . . . . 1.14 114.005 179.785 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 546' ' ' LYS . . . . . 0.572 ' O ' ' HA ' ' A' ' 563' ' ' MET . 16.7 tppt? -132.55 135.54 46.01 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 122.474 -0.427 . . . . 1.56 110.967 -178.669 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 547' ' ' VAL . . . . . 0.578 ' HA ' ' O ' ' A' ' 562' ' ' GLU . 95.2 t -100.14 133.63 42.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.907 -0.588 . . . . 0.25 110.923 -178.655 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 72.5 p -108.28 -32.3 7.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.104 0.478 . . . . 0.37 110.784 176.178 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -149.06 166.62 28.19 Favored 'General case' 0 CA--C 1.515 -0.372 0 CA-C-N 115.702 -0.681 . . . . 1.43 109.525 -174.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 37.9 p90 -155.44 149.14 25.27 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.856 0.36 . . . . 0.47 110.472 175.587 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 551' ' ' ILE . . . . . 0.523 HD12 HD22 ' A' ' 599' ' ' LEU . 24.2 mt -131.28 123.78 53.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 108.955 -0.757 . . . . 0.37 108.955 175.677 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 552' ' ' LEU . . . . . 0.516 ' CD1' ' HG2' ' A' ' 534' ' ' GLU . 85.1 mt -111.35 114.1 27.02 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.143 -0.48 . . . . 0.45 111.734 -172.51 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 25.4 mmt -108.08 86.13 2.24 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.874 -0.787 . . . . 1.18 108.874 172.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.94 -34.97 77.61 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.132 -0.485 . . . . 1.45 110.675 -174.71 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 62.6 p -64.79 -28.1 69.34 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.936 -0.575 . . . . 1.11 112.049 -177.235 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 556' ' ' THR . . . . . 0.478 ' O ' ' HG2' ' A' ' 558' ' ' GLN . 75.6 p -98.84 4.13 47.49 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.06 0.457 . . . . 0.88 110.525 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 14.5 m120 56.91 40.44 28.85 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.092 -0.958 . . . . 2.35 110.885 -179.593 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 558' ' ' GLN . . . . . 0.478 ' HG2' ' O ' ' A' ' 556' ' ' THR . 15.0 mm100 -143.48 148.77 36.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 2.07 110.466 -175.871 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -133.99 152.67 51.94 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.904 0.383 . . . . 0.27 111.066 178.797 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 560' ' ' PHE . . . . . . . . . . . . . 55.6 m-85 -119.12 126.34 51.39 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.86 -0.793 . . . . 0.33 108.86 177.05 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 561' ' ' LEU . . . . . 0.406 HD12 ' HA ' ' A' ' 561' ' ' LEU . 14.7 tp -121.79 129.06 52.38 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 109.761 -0.459 . . . . 0.22 109.761 -176.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 562' ' ' GLU . . . . . 0.578 ' O ' ' HA ' ' A' ' 547' ' ' VAL . 10.0 tp10 -99.64 138.51 36.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.498 -0.319 . . . . 1.85 111.044 -173.03 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 563' ' ' MET . . . . . 0.572 ' HA ' ' O ' ' A' ' 546' ' ' LYS . 21.2 mmt -116.06 135.19 54.18 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.656 0.741 . . . . 0.96 111.688 -172.665 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -65.95 -33.8 76.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 114.826 -1.079 . . . . 0.36 111.245 -178.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 565' ' ' TYR . . . . . 0.446 ' HB2' ' CB ' ' A' ' 568' ' ' ALA . 17.5 m-85 -124.4 134.67 53.04 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.721 -0.844 . . . . 1.27 108.721 -175.3 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 9.7 t -68.07 -35.4 78.14 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.346 -0.388 . . . . 0.52 110.808 -177.802 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -67.13 -35.48 79.83 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-O 121.022 0.439 . . . . 1.91 110.56 175.113 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 568' ' ' ALA . . . . . 0.623 ' HB1' ' CA ' ' A' ' 545' ' ' GLY . . . -62.61 -43.96 97.51 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.646 -0.707 . . . . 0.28 110.504 178.112 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -63.47 -45.73 89.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.708 -0.678 . . . . 0.19 111.195 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 570' ' ' GLN . . . . . 0.596 ' O ' ' HG2' ' A' ' 574' ' ' GLN . 45.9 mt-30 -67.57 -46.21 73.33 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.943 -0.571 . . . . 1.21 111.379 -178.846 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -61.89 -42.13 98.7 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.201 -0.454 . . . . 0.31 111.535 -175.325 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 572' ' ' MET . . . . . 0.575 ' CB ' ' HB2' ' A' ' 544' ' ' PHE . 17.2 ptp -66.29 -44.97 82.03 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.036 0.446 . . . . 0.62 110.222 -179.342 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 573' ' ' VAL . . . . . 0.803 HG13 ' HA ' ' A' ' 591' ' ' ARG . 57.7 t -67.29 -36.86 77.86 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.691 0 CA-C-N 115.711 -0.677 . . . . 0.21 111.958 -175.412 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 574' ' ' GLN . . . . . 0.596 ' HG2' ' O ' ' A' ' 570' ' ' GLN . 29.4 mm-40 -59.05 -37.35 76.8 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.538 -0.541 . . . . 1.9 109.538 178.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 89.1 t80 -69.14 -49.68 54.73 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-N 115.769 -0.65 . . . . 0.52 111.149 172.248 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 576' ' ' TYR . . . . . 0.471 ' CB ' ' HB ' ' A' ' 590' ' ' ILE . 22.9 m-85 -72.24 -23.08 61.17 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 113.502 0.927 . . . . 0.34 113.502 -171.375 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -70.04 -30.9 68.29 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 120.132 -0.627 . . . . 1.84 110.562 175.672 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 50.9 mm-40 -97.52 -38.96 9.37 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.14 0.495 . . . . 2.07 111.312 179.536 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -126.32 81.94 66.62 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 115.741 -0.663 . . . . 2.07 109.958 175.575 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_exo -72.32 159.92 48.28 Favored 'Trans proline' 0 C--O 1.234 0.293 0 C-N-CA 123.522 2.815 . . . . 0.19 112.429 -176.472 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -93.23 144.67 25.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.28 -0.418 . . . . 0.2 110.752 -174.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 65.8 mt -108.89 131.31 59.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 116.333 -0.394 . . . . 0.54 111.794 -173.384 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 583' ' ' ILE . . . . . 0.494 HD12 HD11 ' A' ' 588' ' ' LEU . 37.9 mt -122.51 116.66 49.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.124 -0.489 . . . . 0.73 110.499 172.269 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 55.33 43.99 28.07 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.848 -0.614 . . . . 1.46 111.724 175.214 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 86.1 -4.54 85.85 Favored Glycine 0 N--CA 1.45 -0.376 0 CA-C-N 115.917 -0.583 . . . . 0.67 113.47 176.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -102.68 126.26 49.71 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 117.147 0.473 . . . . 1.93 110.256 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -84.69 107.37 16.85 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.52 -0.548 . . . . 2.12 109.52 178.091 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 588' ' ' LEU . . . . . 0.494 HD11 HD12 ' A' ' 583' ' ' ILE . 39.9 mt -84.8 124.36 31.48 Favored 'General case' 0 CA--C 1.506 -0.74 0 CA-C-N 116.467 -0.333 . . . . 0.28 110.38 -178.12 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 33.1 tp -83.28 108.56 16.58 Favored 'General case' 0 C--N 1.313 -0.998 0 N-CA-C 108.584 -0.895 . . . . 0.38 108.584 173.269 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 590' ' ' ILE . . . . . 0.471 ' HB ' ' CB ' ' A' ' 576' ' ' TYR . 41.7 mt -96.48 115.47 35.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 108.273 -1.01 . . . . 0.17 108.273 177.655 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 591' ' ' ARG . . . . . 0.803 ' HA ' HG13 ' A' ' 573' ' ' VAL . 33.3 ptt180 -145.34 164.76 30.48 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 113.285 0.846 . . . . 3.0 113.285 -174.357 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 592' ' ' MET . . . . . 0.664 ' HG2' HG11 ' A' ' 573' ' ' VAL . 0.6 OUTLIER -68.19 129.35 39.67 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.009 -0.996 . . . . 0.33 111.303 -175.301 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 33.0 t -86.92 129.7 34.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.006 0.432 . . . . 1.04 110.539 176.25 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 8.1 m -98.52 -6.86 29.38 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.696 0.76 . . . . 1.6 109.769 175.364 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 79.4 mtp180 -88.28 -41.33 12.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.641 -0.709 . . . . 2.94 111.118 -177.599 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -106.69 134.06 50.41 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.844 0.354 . . . . 0.93 110.587 -179.508 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -90.97 -41.83 10.9 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.812 -0.631 . . . . 3.4 110.373 176.728 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 598' ' ' GLU . . . . . 0.476 ' HA ' ' OE2' ' A' ' 562' ' ' GLU . 11.1 pt-20 -154.05 146.55 24.05 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.476 -0.784 . . . . 2.02 109.843 -178.575 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 599' ' ' LEU . . . . . 0.523 HD22 HD12 ' A' ' 551' ' ' ILE . 76.1 mt . . . . . 0 C--N 1.323 -0.583 0 CA-C-O 121.238 0.542 . . . . 1.02 111.462 179.686 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 58.7 t . . . . . 0 N--CA 1.463 0.22 0 CA-C-O 120.466 0.174 . . . . 0.44 111.007 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 522' ' ' VAL . . . . . 0.51 HG22 ' HE3' ' A' ' 592' ' ' MET . 40.3 t -100.45 134.31 40.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 N-CA-C 109.889 -0.412 . . . . 0.25 109.889 178.144 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 523' ' ' HIS . . . . . 0.426 ' HB3' ' OG ' ' A' ' 593' ' ' SER . 14.4 p-80 -115.05 140.16 49.28 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.183 0.516 . . . . 1.75 110.116 177.283 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 524' ' ' ILE . . . . . 0.671 HD12 HG13 ' A' ' 537' ' ' VAL . 67.1 mt -106.12 128.89 60.14 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.054 0 CA-C-N 115.595 -0.73 . . . . 0.28 110.099 179.248 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 525' ' ' CYS . . . . . 0.435 ' O ' ' HB2' ' A' ' 526' ' ' ASN . 12.6 p -124.29 174.98 7.36 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.825 -0.625 . . . . 1.28 110.144 -177.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 526' ' ' ASN . . . . . 0.435 ' HB2' ' O ' ' A' ' 525' ' ' CYS . 4.7 m-20 69.33 26.19 5.38 Favored 'General case' 0 N--CA 1.469 0.506 0 O-C-N 123.699 0.624 . . . . 1.22 109.896 -175.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 527' ' ' LEU . . . . . 0.479 ' HB3' ' SG ' ' A' ' 532' ' ' CYS . 82.4 mt -79.14 130.31 69.86 Favored Pre-proline 0 C--N 1.324 -0.541 0 CA-C-N 115.319 -0.855 . . . . 0.6 110.788 -177.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 528' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -68.15 133.13 27.84 Favored 'Trans proline' 0 C--O 1.235 0.359 0 C-N-CA 122.391 2.06 . . . . 0.62 111.385 174.237 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -66.84 124.38 22.79 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.279 -0.419 . . . . 2.98 111.116 -175.225 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 80.56 -18.05 9.48 Favored Glycine 0 N--CA 1.452 -0.289 0 CA-C-N 116.091 -0.504 . . . . 0.94 113.514 175.106 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 14.6 m -88.2 -15.68 35.33 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.032 0.444 . . . . 1.17 111.142 -177.033 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 532' ' ' CYS . . . . . 0.479 ' SG ' ' HB3' ' A' ' 527' ' ' LEU . 56.8 m -85.21 135.34 33.99 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.278 -0.419 . . . . 0.77 110.732 -179.635 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 30.0 p -108.32 169.56 8.56 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.591 -0.522 . . . . 0.54 109.591 177.623 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 534' ' ' GLU . . . . . 0.4 ' HA ' HD11 ' A' ' 552' ' ' LEU . 14.5 mt-10 -63.11 -46.89 85.19 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.35 0.595 . . . . 1.32 109.684 175.075 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -66.36 -44.2 83.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 114.984 -1.007 . . . . 1.95 111.852 -171.13 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 536' ' ' ASP . . . . . 0.552 ' O ' ' HG ' ' A' ' 540' ' ' LEU . 16.5 m-20 -63.95 -45.39 89.37 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 120.724 0.297 . . . . 0.52 111.357 -176.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 537' ' ' VAL . . . . . 0.671 HG13 HD12 ' A' ' 524' ' ' ILE . 98.0 t -61.96 -42.68 95.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.007 -0.542 . . . . 0.25 110.359 -177.864 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 538' ' ' ILE . . . . . 0.401 ' O ' ' HG ' ' A' ' 542' ' ' LEU . 82.9 mt -67.17 -42.31 87.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.494 . . . . 0.24 110.765 177.272 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 539' ' ' ASN . . . . . 0.497 ' HA ' HD12 ' A' ' 542' ' ' LEU . 81.2 m-20 -61.47 -30.06 70.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.992 -0.549 . . . . 1.07 112.233 -177.26 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 540' ' ' LEU . . . . . 0.552 ' HG ' ' O ' ' A' ' 536' ' ' ASP . 46.1 mt -69.36 -37.05 77.43 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.068 0.395 . . . . 0.36 112.068 -176.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -75.47 -36.71 43.22 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.258 -0.972 . . . . 0.22 112.233 -178.224 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 542' ' ' LEU . . . . . 0.546 ' HA ' ' O ' ' A' ' 545' ' ' GLY . 91.3 mt -48.4 -46.76 69.18 Favored Pre-proline 0 CA--C 1.542 0.67 0 N-CA-C 114.522 1.305 . . . . 0.25 114.522 -172.563 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 543' ' ' PRO . . . . . 0.462 ' HD3' ' O ' ' A' ' 539' ' ' ASN . 41.6 Cg_exo -46.7 -34.01 14.69 Favored 'Trans proline' 0 C--N 1.358 1.071 0 C-N-CA 122.484 2.122 . . . . 0.19 115.833 -173.459 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 544' ' ' PHE . . . . . 0.538 ' HB2' ' CB ' ' A' ' 572' ' ' MET . 79.3 m-85 -111.55 -19.1 12.65 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.041 -0.663 . . . . 0.35 112.687 176.552 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 545' ' ' GLY . . . . . 0.546 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . -149.76 132.86 4.17 Favored Glycine 0 CA--C 1.522 0.505 0 C-N-CA 120.911 -0.662 . . . . 1.14 113.088 177.538 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 546' ' ' LYS . . . . . 0.517 ' O ' ' HA ' ' A' ' 563' ' ' MET . 23.7 tptm -71.04 144.23 50.47 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.677 0.275 . . . . 1.56 111.103 178.574 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 547' ' ' VAL . . . . . 0.536 ' HA ' ' O ' ' A' ' 562' ' ' GLU . 92.8 t -95.0 127.94 46.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.821 -0.627 . . . . 0.25 111.377 178.631 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 28.9 p -94.54 -39.58 10.31 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.387 -0.37 . . . . 0.37 111.782 176.049 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 549' ' ' ASN . . . . . 0.439 ' O ' ' HB3' ' A' ' 562' ' ' GLU . 55.5 m-80 -149.56 165.69 31.46 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.75 -0.833 . . . . 1.43 108.75 -179.797 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 12.2 p90 -148.78 149.79 31.97 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 120.626 -0.429 . . . . 0.47 110.588 -179.643 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 29.0 mt -131.29 121.26 48.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 N-CA-C 108.975 -0.75 . . . . 0.37 108.975 173.618 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 552' ' ' LEU . . . . . 0.4 HD11 ' HA ' ' A' ' 534' ' ' GLU . 50.1 mt -112.43 115.12 28.18 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 115.533 -0.758 . . . . 0.45 111.111 -177.698 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 62.4 mtt -107.48 83.69 1.85 Allowed 'General case' 0 N--CA 1.445 -0.684 0 N-CA-C 108.628 -0.879 . . . . 1.18 108.628 173.212 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -69.75 -29.46 66.83 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.046 -0.979 . . . . 1.45 110.464 -176.227 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 62.5 p -66.34 -22.94 66.28 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.58 -0.736 . . . . 1.11 111.613 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 68.9 p -105.28 3.82 30.37 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-O 121.282 0.563 . . . . 0.88 110.167 177.291 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 64.9 t30 56.39 41.55 28.8 Favored 'General case' 0 CA--C 1.521 -0.153 0 CA-C-N 114.674 -1.148 . . . . 2.35 110.893 -178.822 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -137.86 149.38 46.24 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.047 -0.524 . . . . 2.07 109.869 -177.438 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -130.2 142.92 50.53 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.38 -0.373 . . . . 0.27 111.259 -176.398 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 560' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -126.59 126.13 43.11 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.761 -0.654 . . . . 0.33 109.412 177.539 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 15.4 tp -126.54 129.09 47.93 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 116.011 -0.54 . . . . 0.22 110.082 -174.227 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 562' ' ' GLU . . . . . 0.536 ' O ' ' HA ' ' A' ' 547' ' ' VAL . 37.5 tt0 -103.15 137.92 40.66 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.342 -0.39 . . . . 1.85 111.302 -176.082 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 563' ' ' MET . . . . . 0.517 ' HA ' ' O ' ' A' ' 546' ' ' LYS . 13.3 mmt -107.8 159.55 16.42 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.838 -0.619 . . . . 0.96 110.442 -177.106 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -75.72 -22.53 56.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.699 -0.682 . . . . 0.36 112.251 -175.592 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -137.65 150.65 47.54 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.872 0.368 . . . . 1.27 110.795 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 9.0 t -61.69 -38.06 86.43 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.77 -0.65 . . . . 0.52 110.313 176.736 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -67.23 -35.34 79.35 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 116.174 -0.466 . . . . 1.91 110.778 175.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 568' ' ' ALA . . . . . 0.48 ' HB1' ' CA ' ' A' ' 545' ' ' GLY . . . -62.48 -42.56 99.57 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.094 0.473 . . . . 0.28 110.311 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 569' ' ' ALA . . . . . 0.489 ' HB1' ' HE1' ' A' ' 592' ' ' MET . . . -68.44 -46.99 68.38 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.694 -0.685 . . . . 0.19 111.514 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 570' ' ' GLN . . . . . 0.458 ' O ' ' HG3' ' A' ' 574' ' ' GLN . 48.2 mt-30 -68.86 -46.14 69.23 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.29 -0.413 . . . . 1.21 111.923 -177.649 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -62.11 -38.01 87.29 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.675 0.274 . . . . 0.31 111.392 -175.425 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 572' ' ' MET . . . . . 0.538 ' CB ' ' HB2' ' A' ' 544' ' ' PHE . 14.0 ptp -69.11 -45.6 69.77 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 120.655 -0.418 . . . . 0.62 110.365 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 573' ' ' VAL . . . . . 0.564 HG11 ' HG2' ' A' ' 592' ' ' MET . 91.9 t -67.32 -36.88 77.89 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.566 0 CA-C-N 116.192 -0.458 . . . . 0.21 111.259 -176.358 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 574' ' ' GLN . . . . . 0.458 ' HG3' ' O ' ' A' ' 570' ' ' GLN . 52.0 mt-30 -58.96 -37.17 76.17 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.541 -0.54 . . . . 1.9 109.541 175.784 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 54.2 t80 -69.56 -49.66 52.13 Favored 'General case' 0 C--O 1.219 -0.534 0 CA-C-N 115.856 -0.611 . . . . 0.52 110.68 174.012 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 576' ' ' TYR . . . . . 0.436 ' CE1' ' HB2' ' A' ' 572' ' ' MET . 21.7 m-85 -74.84 -17.22 60.64 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.925 0.713 . . . . 0.34 112.925 -172.624 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -74.38 -30.69 62.07 Favored 'General case' 0 C--N 1.319 -0.722 0 O-C-N 122.091 -0.381 . . . . 1.84 110.557 174.122 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -97.54 -40.19 8.77 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.02 0.438 . . . . 2.07 110.97 178.212 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 49.9 mtpt -127.9 79.45 73.69 Favored Pre-proline 0 C--N 1.327 -0.4 0 CA-C-N 115.695 -0.684 . . . . 2.07 109.917 179.037 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_exo -71.67 160.41 48.23 Favored 'Trans proline' 0 C--O 1.235 0.373 0 C-N-CA 123.372 2.714 . . . . 0.19 112.803 -174.83 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -92.47 150.61 20.67 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.135 -0.484 . . . . 0.2 110.354 -175.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 582' ' ' ILE . . . . . 0.432 ' HA ' ' O ' ' A' ' 586' ' ' GLU . 65.3 mt -117.2 127.87 74.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 N-CA-C 112.112 0.412 . . . . 0.54 112.112 -171.196 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 583' ' ' ILE . . . . . 0.416 HD12 HD11 ' A' ' 588' ' ' LEU . 52.4 mt -122.18 120.6 61.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.001 -0.545 . . . . 0.73 110.447 172.854 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 59.27 40.38 21.43 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.862 -0.608 . . . . 1.46 111.307 177.327 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 80.43 0.92 88.03 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.982 -0.628 . . . . 0.67 112.818 178.702 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 586' ' ' GLU . . . . . 0.432 ' O ' ' HA ' ' A' ' 582' ' ' ILE . 17.1 mm-40 -101.14 126.37 47.84 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 110.183 -0.302 . . . . 1.93 110.183 -178.732 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 587' ' ' LYS . . . . . 0.416 ' HG2' HG12 ' A' ' 582' ' ' ILE . 36.3 mtmm -83.21 107.36 15.7 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.704 -0.48 . . . . 2.12 109.704 177.269 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 588' ' ' LEU . . . . . 0.52 HD12 ' CD1' ' A' ' 540' ' ' LEU . 32.3 mt -86.29 121.74 29.29 Favored 'General case' 0 CA--C 1.502 -0.869 0 CA-C-N 115.792 -0.64 . . . . 0.28 110.183 -177.631 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 589' ' ' LEU . . . . . 0.442 ' HG ' ' HG3' ' A' ' 591' ' ' ARG . 18.6 tp -83.61 109.0 17.07 Favored 'General case' 0 N--CA 1.434 -1.244 0 N-CA-C 108.415 -0.957 . . . . 0.38 108.415 175.248 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 590' ' ' ILE . . . . . 0.42 ' O ' HG13 ' A' ' 573' ' ' VAL . 49.5 mt -95.12 117.1 38.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 108.69 -0.856 . . . . 0.17 108.69 -179.397 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 591' ' ' ARG . . . . . 0.477 ' HA ' HG13 ' A' ' 573' ' ' VAL . 66.1 mtm180 -132.33 162.29 31.43 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 113.528 0.936 . . . . 3.0 113.528 -170.151 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 592' ' ' MET . . . . . 0.564 ' HG2' HG11 ' A' ' 573' ' ' VAL . 0.1 OUTLIER -76.15 129.61 37.03 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 114.783 -1.099 . . . . 0.33 110.792 -177.775 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 593' ' ' SER . . . . . 0.426 ' OG ' ' HB3' ' A' ' 523' ' ' HIS . 16.7 m -87.68 126.45 34.98 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.664 0.269 . . . . 1.04 110.777 175.83 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 14.8 t -98.3 -7.23 29.4 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.576 0.703 . . . . 1.6 109.561 176.475 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 60.8 mtp180 -91.63 -11.11 38.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.425 -0.807 . . . . 2.94 111.363 -179.124 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 58.1 m-85 -131.96 132.67 43.71 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.8 0.333 . . . . 0.93 110.697 -178.01 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -92.48 -41.5 10.25 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.569 0.699 . . . . 3.4 110.261 170.374 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -156.21 149.62 24.62 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.931 -0.577 . . . . 2.02 110.757 -178.412 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 599' ' ' LEU . . . . . . . . . . . . . 94.5 mt . . . . . 0 C--N 1.319 -0.737 0 CA-C-N 115.556 -0.747 . . . . 1.02 110.592 -177.147 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 60.7 t . . . . . 0 CA--C 1.518 -0.284 0 N-CA-C 109.927 -0.398 . . . . 0.44 109.927 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 522' ' ' VAL . . . . . . . . . . . . . 89.3 t -99.11 130.92 47.32 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.877 0 CA-C-O 121.227 0.537 . . . . 0.25 110.312 179.228 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -106.04 123.27 47.73 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.476 -0.783 . . . . 1.75 109.747 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 524' ' ' ILE . . . . . 0.536 HD12 HG13 ' A' ' 537' ' ' VAL . 77.5 mt -103.76 132.1 50.93 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.891 0 CA-C-N 115.426 -0.807 . . . . 0.28 109.325 179.695 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 525' ' ' CYS . . . . . 0.459 ' SG ' ' HB3' ' A' ' 589' ' ' LEU . 2.1 p -126.75 172.27 10.48 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.154 -0.476 . . . . 1.28 111.276 -174.352 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 68.59 25.96 6.48 Favored 'General case' 0 N--CA 1.468 0.436 0 O-C-N 124.116 0.885 . . . . 1.22 110.59 -176.622 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 527' ' ' LEU . . . . . 0.44 HD21 HD13 ' A' ' 588' ' ' LEU . 85.0 mt -81.6 121.99 80.23 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 115.863 -0.608 . . . . 0.6 110.56 -178.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 528' ' ' PRO . . . . . 0.446 ' HD2' ' SG ' ' A' ' 532' ' ' CYS . 32.2 Cg_endo -67.28 130.55 22.82 Favored 'Trans proline' 0 N--CA 1.46 -0.466 0 C-N-CA 121.706 1.604 . . . . 0.62 111.313 176.188 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -68.51 125.72 27.39 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.063 -0.517 . . . . 2.98 111.607 -176.514 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 85.29 -16.41 39.25 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 121.044 -0.598 . . . . 0.94 112.699 176.706 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 531' ' ' SER . . . . . 0.405 ' HB2' ' HG2' ' A' ' 528' ' ' PRO . 18.1 m -91.83 -25.86 18.79 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.965 0.412 . . . . 1.17 110.659 -179.408 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 532' ' ' CYS . . . . . 0.446 ' SG ' ' HD2' ' A' ' 528' ' ' PRO . 38.0 m -85.94 138.91 31.66 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.141 -0.481 . . . . 0.77 110.507 179.055 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 44.1 p -110.68 169.84 8.49 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.75 -0.463 . . . . 0.54 109.75 175.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 534' ' ' GLU . . . . . 0.4 ' HG2' ' CD1' ' A' ' 552' ' ' LEU . 31.8 mt-10 -61.33 -42.66 99.05 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.315 -0.624 . . . . 1.32 109.315 175.286 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -61.9 -43.88 97.93 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.162 -0.926 . . . . 1.95 111.747 -175.539 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 536' ' ' ASP . . . . . 0.611 ' O ' ' HG ' ' A' ' 540' ' ' LEU . 13.7 m-20 -64.05 -48.05 77.78 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.817 0.341 . . . . 0.52 111.071 -176.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 537' ' ' VAL . . . . . 0.536 HG13 HD12 ' A' ' 524' ' ' ILE . 96.1 t -63.7 -45.0 98.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.939 -0.573 . . . . 0.25 111.302 -175.684 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 538' ' ' ILE . . . . . 0.473 ' O ' ' HG ' ' A' ' 542' ' ' LEU . 90.4 mt -67.12 -45.78 85.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.394 -0.366 . . . . 0.24 111.014 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 539' ' ' ASN . . . . . 0.562 ' O ' ' HD3' ' A' ' 543' ' ' PRO . 23.7 m-80 -66.25 -26.65 67.46 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.394 0.516 . . . . 1.07 112.394 -178.042 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 540' ' ' LEU . . . . . 0.611 ' HG ' ' O ' ' A' ' 536' ' ' ASP . 35.2 mt -68.01 -35.2 77.9 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.75 -0.38 . . . . 0.36 111.665 177.159 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -79.02 -37.78 24.52 Favored Glycine 0 N--CA 1.453 -0.18 0 C-N-CA 120.394 -0.907 . . . . 0.22 112.329 -178.687 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 542' ' ' LEU . . . . . 0.577 ' HA ' ' O ' ' A' ' 545' ' ' GLY . 96.9 mt -47.78 -45.08 60.0 Favored Pre-proline 0 CA--C 1.545 0.78 0 N-CA-C 115.112 1.523 . . . . 0.25 115.112 -175.139 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 543' ' ' PRO . . . . . 0.562 ' HD3' ' O ' ' A' ' 539' ' ' ASN . 30.6 Cg_exo -47.01 -35.07 17.98 Favored 'Trans proline' 0 C--N 1.361 1.206 0 C-N-CA 122.656 2.237 . . . . 0.19 115.67 -172.747 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 544' ' ' PHE . . . . . 0.452 ' HB2' ' CB ' ' A' ' 572' ' ' MET . 88.8 m-85 -111.79 -18.03 12.82 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 119.927 -0.709 . . . . 0.35 112.684 177.211 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 545' ' ' GLY . . . . . 0.577 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . -150.05 138.09 6.55 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.692 -0.766 . . . . 1.14 112.955 178.555 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 58.4 tptt -76.01 138.51 40.95 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.88 0.371 . . . . 1.56 111.37 -179.029 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 547' ' ' VAL . . . . . 0.484 ' HA ' ' O ' ' A' ' 562' ' ' GLU . 95.6 t -93.54 136.53 24.99 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.572 0 CA-C-N 115.35 -0.841 . . . . 0.25 110.812 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 39.9 p -104.31 -40.13 6.22 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.257 0.551 . . . . 0.37 111.597 179.625 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 68.1 m-80 -149.08 166.72 27.89 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.515 -0.92 . . . . 1.43 108.515 -178.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 41.4 p90 -146.64 149.84 34.28 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.535 -0.466 . . . . 0.47 111.04 177.85 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 551' ' ' ILE . . . . . 0.419 HD12 HD22 ' A' ' 599' ' ' LEU . 24.8 mt -130.85 123.31 54.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 109.003 -0.74 . . . . 0.37 109.003 173.307 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 552' ' ' LEU . . . . . 0.4 ' CD1' ' HG2' ' A' ' 534' ' ' GLU . 70.8 mt -111.27 114.41 27.58 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 115.905 -0.588 . . . . 0.45 110.708 -176.178 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 60.0 mtt -107.46 85.13 2.07 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.402 -0.592 . . . . 1.18 109.402 176.108 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.15 -30.42 69.55 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.538 -0.542 . . . . 1.45 109.538 -179.468 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 64.5 p -66.45 -31.27 71.91 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.301 -0.863 . . . . 1.11 111.965 -178.188 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 76.7 p -105.04 10.79 33.92 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-O 121.197 0.522 . . . . 0.88 110.23 -178.197 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 4.9 t30 57.34 42.44 24.96 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 114.81 -1.087 . . . . 2.35 110.843 177.218 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -147.13 152.99 39.38 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.067 0.46 . . . . 2.07 111.188 -175.466 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -130.57 146.19 52.04 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.378 -0.374 . . . . 0.27 110.349 175.689 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 560' ' ' PHE . . . . . 0.451 ' HB3' HD21 ' A' ' 599' ' ' LEU . 71.7 m-85 -124.8 128.85 49.36 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.959 -0.564 . . . . 0.33 109.569 179.613 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 561' ' ' LEU . . . . . 0.562 ' HB3' ' HE1' ' A' ' 563' ' ' MET . 15.1 tp -124.49 137.01 54.46 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.199 -0.455 . . . . 0.22 110.2 -172.604 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 562' ' ' GLU . . . . . 0.585 ' HB2' HD12 ' A' ' 599' ' ' LEU . 28.3 tt0 -107.13 139.33 41.74 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 122.421 0.289 . . . . 1.85 110.434 -175.55 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 563' ' ' MET . . . . . 0.583 ' HE2' ' SD ' ' A' ' 572' ' ' MET . 0.6 OUTLIER -114.4 153.3 30.11 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.569 0.699 . . . . 0.96 111.917 -176.105 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -75.25 -29.95 60.35 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 115.186 -0.915 . . . . 0.36 111.776 -176.877 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -127.87 144.14 51.1 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.171 -0.677 . . . . 1.27 109.171 -177.745 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 566' ' ' THR . . . . . 0.404 HG22 ' H ' ' A' ' 566' ' ' THR . 2.2 t -61.67 -35.98 79.55 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.105 -0.498 . . . . 0.52 110.921 -179.548 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -67.66 -32.96 74.01 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.718 -0.673 . . . . 1.91 110.841 176.017 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 568' ' ' ALA . . . . . 0.519 ' HB1' ' CA ' ' A' ' 545' ' ' GLY . . . -61.93 -44.54 96.57 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.15 -0.477 . . . . 0.28 110.389 -176.63 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -68.1 -46.31 71.29 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.904 -0.589 . . . . 0.19 111.277 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 570' ' ' GLN . . . . . 0.507 ' O ' ' HG2' ' A' ' 574' ' ' GLN . 46.0 mt-30 -68.76 -46.01 69.92 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.378 -0.374 . . . . 1.21 111.774 -177.207 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -63.8 -41.74 97.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.385 -0.37 . . . . 0.31 111.593 -175.882 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 572' ' ' MET . . . . . 0.583 ' SD ' ' HE2' ' A' ' 563' ' ' MET . 14.9 ptp -65.34 -44.6 87.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.027 0.441 . . . . 0.62 109.949 179.74 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 573' ' ' VAL . . . . . 0.595 HG13 ' HA ' ' A' ' 591' ' ' ARG . 51.6 t -67.04 -37.59 79.64 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.655 0 CA-C-N 115.787 -0.642 . . . . 0.21 111.617 -176.116 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 574' ' ' GLN . . . . . 0.507 ' HG2' ' O ' ' A' ' 570' ' ' GLN . 28.9 mm-40 -60.13 -36.98 78.68 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.574 -0.528 . . . . 1.9 109.574 176.519 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -68.57 -47.53 66.57 Favored 'General case' 0 C--O 1.218 -0.58 0 CA-C-N 115.715 -0.675 . . . . 0.52 110.693 174.161 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 576' ' ' TYR . . . . . 0.482 ' CB ' ' HB ' ' A' ' 590' ' ' ILE . 21.1 m-85 -76.75 -17.84 58.82 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 113.18 0.807 . . . . 0.34 113.18 -173.2 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 62.0 mt-30 -79.06 -26.89 43.04 Favored 'General case' 0 C--N 1.318 -0.804 0 C-N-CA 120.013 -0.675 . . . . 1.84 110.932 174.399 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -96.7 -38.59 9.86 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.172 0.51 . . . . 2.07 110.715 177.466 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -129.94 82.32 66.8 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-N 115.692 -0.685 . . . . 2.07 109.548 176.008 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 580' ' ' PRO . . . . . 0.457 ' HB3' ' O ' ' A' ' 588' ' ' LEU . 14.7 Cg_exo -71.65 159.19 51.69 Favored 'Trans proline' 0 CA--C 1.529 0.272 0 C-N-CA 123.429 2.753 . . . . 0.19 112.87 -174.432 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -93.42 153.08 18.7 Favored 'General case' 0 C--O 1.222 -0.345 0 CA-C-N 116.142 -0.481 . . . . 0.2 110.284 -176.788 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 582' ' ' ILE . . . . . 0.47 HG12 ' HG2' ' A' ' 587' ' ' LYS . 56.8 mt -114.45 127.42 71.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 112.411 0.523 . . . . 0.54 112.411 -170.545 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 583' ' ' ILE . . . . . 0.433 HD12 HD11 ' A' ' 588' ' ' LEU . 16.9 mt -122.5 123.41 68.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.867 -0.606 . . . . 0.73 110.459 171.671 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 21.2 m120 51.71 45.74 27.65 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 115.905 -0.589 . . . . 1.46 112.109 -178.703 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 78.01 8.31 87.39 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.981 -0.628 . . . . 0.67 113.683 173.249 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -116.39 133.41 56.05 Favored 'General case' 0 N--CA 1.433 -1.32 0 CA-C-N 117.305 0.552 . . . . 1.93 109.86 178.386 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 587' ' ' LYS . . . . . 0.47 ' HG2' HG12 ' A' ' 582' ' ' ILE . 52.2 mtmt -83.51 107.87 16.27 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.016 -0.538 . . . . 2.12 110.152 179.261 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 588' ' ' LEU . . . . . 0.457 ' O ' ' HB3' ' A' ' 580' ' ' PRO . 37.6 mt -77.63 128.73 34.58 Favored 'General case' 0 CA--C 1.505 -0.776 0 CA-C-N 115.764 -0.653 . . . . 0.28 110.403 -176.908 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 589' ' ' LEU . . . . . 0.459 ' HB3' ' SG ' ' A' ' 525' ' ' CYS . 53.4 tp -82.8 108.16 15.94 Favored 'General case' 0 C--N 1.309 -1.164 0 N-CA-C 108.01 -1.107 . . . . 0.38 108.01 171.326 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 590' ' ' ILE . . . . . 0.482 ' HB ' ' CB ' ' A' ' 576' ' ' TYR . 59.4 mt -96.7 114.71 34.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 N-CA-C 107.412 -1.329 . . . . 0.17 107.412 177.631 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 591' ' ' ARG . . . . . 0.595 ' HA ' HG13 ' A' ' 573' ' ' VAL . 12.7 ptt180 -142.06 165.05 28.5 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.367 0.506 . . . . 3.0 112.367 -169.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 592' ' ' MET . . . . . 0.503 ' HG2' HG11 ' A' ' 573' ' ' VAL . 0.3 OUTLIER -72.2 128.33 35.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.532 -0.758 . . . . 0.33 110.506 -175.421 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 45.7 t -87.52 133.91 33.7 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.686 0.279 . . . . 1.04 110.513 178.645 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 2.9 p -98.84 -8.24 26.1 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.065 0.459 . . . . 1.6 110.881 174.836 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -77.13 -36.49 55.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.012 -0.54 . . . . 2.94 110.426 -179.266 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -119.1 135.51 54.62 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.191 0.519 . . . . 0.93 111.633 178.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 34.4 mtmm -90.47 -21.67 21.76 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.692 -0.855 . . . . 3.4 108.692 168.522 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -160.21 158.29 29.78 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.791 -1.095 . . . . 2.02 108.998 178.585 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 599' ' ' LEU . . . . . 0.585 HD12 ' HB2' ' A' ' 562' ' ' GLU . 98.6 mt . . . . . 0 C--N 1.318 -0.777 0 N-CA-C 109.286 -0.635 . . . . 1.02 109.286 175.623 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 521' ' ' VAL . . . . . 0.474 ' O ' ' HB3' ' A' ' 593' ' ' SER . 61.5 t . . . . . 0 C--O 1.223 -0.34 0 N-CA-C 109.025 -0.732 . . . . 0.44 109.025 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 522' ' ' VAL . . . . . . . . . . . . . 86.1 t -99.58 133.89 40.8 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.871 0 CA-C-O 120.61 0.243 . . . . 0.25 110.426 -178.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 3.8 p-80 -110.69 140.05 45.41 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.655 -0.418 . . . . 1.75 109.934 178.385 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 524' ' ' ILE . . . . . 0.613 HD12 HG13 ' A' ' 537' ' ' VAL . 77.8 mt -112.12 130.04 66.52 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 115.812 -0.631 . . . . 0.28 110.774 -178.72 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 66.7 m -111.1 174.9 5.64 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.675 -0.693 . . . . 1.28 110.894 -177.604 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 13.6 m120 68.82 27.05 5.82 Favored 'General case' 0 N--CA 1.467 0.422 0 O-C-N 123.724 0.64 . . . . 1.22 111.599 177.541 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 85.7 mt -88.4 119.6 70.23 Favored Pre-proline 0 C--N 1.321 -0.636 0 CA-C-N 116.524 -0.307 . . . . 0.6 111.229 -177.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 528' ' ' PRO . . . . . 0.82 ' HD2' ' SG ' ' A' ' 532' ' ' CYS . 22.3 Cg_exo -68.34 130.81 21.91 Favored 'Trans proline' 0 C--O 1.237 0.462 0 C-N-CA 122.157 1.905 . . . . 0.62 112.028 169.373 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.33 139.76 52.08 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.009 -0.541 . . . . 2.98 111.042 176.732 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 80.14 -19.47 6.64 Favored Glycine 0 CA--C 1.518 0.228 0 CA-C-N 116.168 -0.469 . . . . 0.94 113.808 173.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 9.5 t -100.79 -34.28 9.89 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 117.169 0.484 . . . . 1.17 110.701 -177.452 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 532' ' ' CYS . . . . . 0.82 ' SG ' ' HD2' ' A' ' 528' ' ' PRO . 58.3 m -80.85 142.53 33.56 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.706 -0.479 . . . . 0.77 109.706 176.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 62.0 p -105.87 159.02 16.35 Favored 'General case' 0 N--CA 1.442 -0.834 0 C-N-CA 120.346 -0.542 . . . . 0.54 109.614 176.015 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 534' ' ' GLU . . . . . 0.464 ' HG2' ' CD1' ' A' ' 552' ' ' LEU . 24.5 mt-10 -55.55 -38.13 68.88 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 109.127 -0.694 . . . . 1.32 109.127 175.643 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -61.48 -43.83 98.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.614 -1.175 . . . . 1.95 111.358 -177.305 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 536' ' ' ASP . . . . . 0.609 ' O ' ' HG ' ' A' ' 540' ' ' LEU . 25.8 m-20 -62.13 -47.45 84.49 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 121.033 0.445 . . . . 0.52 110.82 -178.846 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 537' ' ' VAL . . . . . 0.613 HG13 HD12 ' A' ' 524' ' ' ILE . 85.8 t -62.2 -43.34 97.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.63 -0.714 . . . . 0.25 110.911 -177.653 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 97.0 mt -66.84 -41.93 88.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.988 -0.551 . . . . 0.24 110.64 177.71 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 539' ' ' ASN . . . . . 0.642 ' O ' ' HD3' ' A' ' 543' ' ' PRO . 75.3 m-20 -64.26 -29.32 70.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.838 -0.619 . . . . 1.07 112.138 -179.097 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 540' ' ' LEU . . . . . 0.609 ' HG ' ' O ' ' A' ' 536' ' ' ASP . 30.5 mt -64.51 -38.64 91.73 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 111.997 0.369 . . . . 0.36 111.997 -177.51 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -79.4 -35.68 28.87 Favored Glycine 0 CA--C 1.518 0.246 0 C-N-CA 120.515 -0.85 . . . . 0.22 112.746 -177.261 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 542' ' ' LEU . . . . . . . . . . . . . 69.6 mt -49.02 -44.43 71.81 Favored Pre-proline 0 CA--C 1.549 0.916 0 N-CA-C 115.323 1.601 . . . . 0.25 115.323 -175.625 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 543' ' ' PRO . . . . . 0.642 ' HD3' ' O ' ' A' ' 539' ' ' ASN . 70.8 Cg_exo -50.22 -33.38 35.93 Favored 'Trans proline' 0 C--N 1.355 0.886 0 C-N-CA 122.088 1.859 . . . . 0.19 115.527 -172.549 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -111.02 -17.72 13.21 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 113.214 0.82 . . . . 0.35 113.214 177.556 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -131.03 -148.53 6.28 Favored Glycine 0 C--O 1.227 -0.303 0 C-N-CA 120.803 -0.713 . . . . 1.14 113.314 -179.074 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 546' ' ' LYS . . . . . 0.616 ' O ' ' HA ' ' A' ' 563' ' ' MET . 60.1 tptt -143.95 139.51 29.15 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 109.7 -0.482 . . . . 1.56 109.7 178.879 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 547' ' ' VAL . . . . . 0.453 ' HA ' ' O ' ' A' ' 562' ' ' GLU . 90.3 t -104.81 118.78 52.73 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.591 0 CA-C-O 121.124 0.488 . . . . 0.25 110.428 -178.812 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 548' ' ' THR . . . . . 0.44 HG21 ' HA ' ' A' ' 564' ' ' ALA . 31.5 p -94.0 -38.56 11.1 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 115.59 -0.732 . . . . 0.37 111.012 178.212 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -147.64 166.08 28.5 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.434 -0.803 . . . . 1.43 109.449 -175.842 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 3.2 p90 -149.79 148.81 29.64 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.988 -0.375 . . . . 0.47 109.988 174.354 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 551' ' ' ILE . . . . . 0.4 HD12 HD22 ' A' ' 599' ' ' LEU . 17.1 mt -137.61 123.13 25.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 121.357 0.599 . . . . 0.37 109.591 176.473 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 552' ' ' LEU . . . . . 0.464 ' CD1' ' HG2' ' A' ' 534' ' ' GLU . 84.0 mt -105.27 115.6 30.54 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.575 -0.739 . . . . 0.45 110.985 -177.906 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 24.4 mmt -101.82 84.33 2.53 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.644 -0.873 . . . . 1.18 108.644 173.46 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 31.1 mmtp -69.56 -29.07 66.55 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.879 -0.6 . . . . 1.45 110.913 -178.56 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 67.1 p -58.56 -35.8 72.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.837 -0.62 . . . . 1.11 111.183 177.534 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 69.4 p -101.17 5.49 42.71 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.172 0.511 . . . . 0.88 110.554 177.456 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 6.3 t30 56.93 42.64 25.99 Favored 'General case' 0 C--O 1.226 -0.164 0 CA-C-N 114.996 -1.002 . . . . 2.35 111.002 179.284 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -140.22 155.36 46.93 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.842 0.353 . . . . 2.07 110.581 -175.407 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -129.93 143.84 51.01 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.778 0.323 . . . . 0.27 111.086 -177.492 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 560' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -122.91 137.13 55.03 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.759 -0.655 . . . . 0.33 109.91 178.119 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 561' ' ' LEU . . . . . 0.52 ' HB3' ' HE1' ' A' ' 563' ' ' MET . 15.4 tp -127.04 133.51 50.49 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.18 -0.464 . . . . 0.22 109.928 -175.634 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 562' ' ' GLU . . . . . 0.453 ' O ' ' HA ' ' A' ' 547' ' ' VAL . 28.1 tt0 -100.97 139.1 37.13 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-O 120.733 0.302 . . . . 1.85 110.6 -177.499 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 563' ' ' MET . . . . . 0.616 ' HA ' ' O ' ' A' ' 546' ' ' LYS . 0.7 OUTLIER -110.96 155.16 23.09 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.07 -0.514 . . . . 0.96 111.31 -179.171 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 564' ' ' ALA . . . . . 0.44 ' HA ' HG21 ' A' ' 548' ' ' THR . . . -66.32 -45.87 78.84 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.002 -0.545 . . . . 0.36 111.455 -177.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -133.53 155.92 48.73 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.793 -0.64 . . . . 1.27 109.612 -178.754 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 9.4 t -56.43 -35.06 67.41 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.765 0.317 . . . . 0.52 110.444 179.348 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -61.89 -33.97 75.19 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-N 115.979 -0.555 . . . . 1.91 111.064 177.519 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 568' ' ' ALA . . . . . 0.408 ' HB1' ' H ' ' A' ' 546' ' ' LYS . . . -67.67 -46.57 71.96 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.105 0.478 . . . . 0.28 110.101 -179.648 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 569' ' ' ALA . . . . . 0.423 ' HA ' ' HG2' ' A' ' 563' ' ' MET . . . -69.42 -46.98 65.52 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.481 -0.781 . . . . 0.19 111.949 -178.183 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 570' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -69.34 -42.22 75.59 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.614 -0.266 . . . . 1.21 111.207 -175.324 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -62.51 -45.08 94.64 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 120.709 0.29 . . . . 0.31 111.162 -177.399 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 572' ' ' MET . . . . . 0.509 ' HB2' ' CE1' ' A' ' 576' ' ' TYR . 19.7 ptp -66.46 -45.45 79.69 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 116.153 -0.476 . . . . 0.62 110.255 -178.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 573' ' ' VAL . . . . . 0.627 HG13 ' HA ' ' A' ' 591' ' ' ARG . 70.8 t -67.3 -36.73 77.47 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.471 0 CA-C-N 116.271 -0.422 . . . . 0.21 111.744 -176.128 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 25.8 mm-40 -58.59 -37.54 76.03 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.563 -0.532 . . . . 1.9 109.563 176.566 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 73.2 t80 -69.41 -49.92 50.67 Favored 'General case' 0 C--O 1.217 -0.611 0 CA-C-N 115.784 -0.643 . . . . 0.52 110.928 172.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 576' ' ' TYR . . . . . 0.509 ' CE1' ' HB2' ' A' ' 572' ' ' MET . 21.2 m-85 -72.89 -23.96 60.78 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 113.039 0.755 . . . . 0.34 113.039 -171.611 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -69.24 -30.45 68.59 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.307 -0.557 . . . . 1.84 110.51 174.795 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 39.7 mm-40 -97.39 -39.34 9.24 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.102 -0.499 . . . . 2.07 111.162 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -129.26 78.94 75.13 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 115.834 -0.621 . . . . 2.07 109.539 178.433 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -69.54 159.59 52.99 Favored 'Trans proline' 0 CA--C 1.533 0.431 0 C-N-CA 123.716 2.944 . . . . 0.19 113.733 -173.364 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 581' ' ' ALA . . . . . 0.444 ' HB1' HD22 ' A' ' 540' ' ' LEU . . . -92.33 153.97 18.87 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 115.543 -0.753 . . . . 0.2 110.906 -174.127 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 582' ' ' ILE . . . . . 0.475 HG12 ' HG2' ' A' ' 587' ' ' LYS . 75.6 mt -112.84 129.06 69.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 113.277 0.843 . . . . 0.54 113.277 -169.113 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 583' ' ' ILE . . . . . 0.438 HD12 HD11 ' A' ' 588' ' ' LEU . 18.2 mt -124.19 127.47 73.36 Favored 'Isoleucine or valine' 0 C--O 1.234 0.282 0 CA-C-N 115.298 -0.865 . . . . 0.73 109.418 167.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 59.71 33.77 21.93 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 122.873 0.469 . . . . 1.46 111.787 -179.567 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 82.21 -4.12 78.05 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.782 -0.723 . . . . 0.67 113.541 176.427 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -107.15 138.2 43.77 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 117.162 0.481 . . . . 1.93 110.328 179.785 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 587' ' ' LYS . . . . . 0.475 ' HG2' HG12 ' A' ' 582' ' ' ILE . 28.8 mtpp -82.97 117.23 22.65 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.954 -0.566 . . . . 2.12 110.317 -178.81 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 588' ' ' LEU . . . . . 0.438 HD11 HD12 ' A' ' 583' ' ' ILE . 38.2 mt -85.68 136.28 33.42 Favored 'General case' 0 CA--C 1.509 -0.633 0 CA-C-N 115.583 -0.735 . . . . 0.28 109.698 178.75 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 50.5 tp -83.26 109.76 17.51 Favored 'General case' 0 C--N 1.313 -0.98 0 C-N-CA 120.002 -0.679 . . . . 0.38 109.183 173.844 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 590' ' ' ILE . . . . . 0.464 ' HB ' ' CB ' ' A' ' 576' ' ' TYR . 44.1 mt -97.26 114.98 35.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 N-CA-C 107.463 -1.31 . . . . 0.17 107.463 176.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 591' ' ' ARG . . . . . 0.627 ' HA ' HG13 ' A' ' 573' ' ' VAL . 13.5 ptm180 -143.28 156.77 44.8 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.274 0.559 . . . . 3.0 112.469 -170.234 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 592' ' ' MET . . . . . 0.62 ' HG2' HG11 ' A' ' 573' ' ' VAL . 0.6 OUTLIER -64.03 125.02 23.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.067 -0.97 . . . . 0.33 109.997 -178.004 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 593' ' ' SER . . . . . 0.474 ' HB3' ' O ' ' A' ' 521' ' ' VAL . 29.9 t -89.57 135.84 33.37 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.874 0.369 . . . . 1.04 110.188 177.585 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 16.7 p -97.43 -4.05 38.96 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.381 0.61 . . . . 1.6 110.182 175.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -84.35 -25.25 29.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.37 -0.832 . . . . 2.94 111.376 -176.288 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 47.4 m-85 -131.3 132.88 44.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.041 0.448 . . . . 0.93 111.295 177.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 28.6 ttpp -92.03 -29.17 16.73 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.563 -0.744 . . . . 3.4 109.711 172.746 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -157.71 145.53 18.72 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 114.975 -1.011 . . . . 2.02 109.396 -178.441 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 599' ' ' LEU . . . . . 0.413 HD12 ' HB2' ' A' ' 562' ' ' GLU . 77.2 mt . . . . . 0 C--N 1.323 -0.544 0 CA-C-O 121.497 0.665 . . . . 1.02 111.0 -179.615 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 95.0 t . . . . . 0 N--CA 1.449 -0.478 0 CA-C-O 121.25 0.547 . . . . 0.44 110.541 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 522' ' ' VAL . . . . . 0.413 HG22 ' HE3' ' A' ' 592' ' ' MET . 48.0 t -107.84 133.92 51.22 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.941 0 CA-C-N 115.638 -0.71 . . . . 0.25 109.272 176.388 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 523' ' ' HIS . . . . . 0.566 ' HB3' ' OG ' ' A' ' 593' ' ' SER . 8.2 p-80 -111.91 140.29 46.69 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.281 0.562 . . . . 1.75 110.481 -178.508 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 524' ' ' ILE . . . . . 0.536 HD12 HG13 ' A' ' 537' ' ' VAL . 76.7 mt -113.32 130.46 67.24 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.86 0 CA-C-N 115.193 -0.912 . . . . 0.28 110.365 -179.765 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 22.0 p -120.27 175.31 6.01 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.959 -0.564 . . . . 1.28 110.274 -179.005 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 18.6 m120 67.11 29.78 7.69 Favored 'General case' 0 N--CA 1.467 0.385 0 O-C-N 123.533 0.52 . . . . 1.22 110.755 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 78.5 mt -80.73 122.08 81.8 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 115.785 -0.643 . . . . 0.6 110.799 -176.267 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 528' ' ' PRO . . . . . 0.47 ' HD2' ' SG ' ' A' ' 532' ' ' CYS . 39.9 Cg_endo -68.26 130.21 20.82 Favored 'Trans proline' 0 N--CA 1.459 -0.528 0 C-N-CA 121.821 1.68 . . . . 0.62 111.421 177.788 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -68.45 125.41 26.39 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.654 -0.703 . . . . 2.98 110.88 -177.524 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 82.28 -15.89 26.25 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.98 -0.628 . . . . 0.94 113.659 176.378 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 46.6 t -89.93 -36.7 14.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 117.41 0.605 . . . . 1.17 110.938 -177.662 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 532' ' ' CYS . . . . . 0.47 ' SG ' ' HD2' ' A' ' 528' ' ' PRO . 74.6 m -87.01 138.95 31.06 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.633 -0.258 . . . . 0.77 110.733 176.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 81.5 p -105.68 169.82 8.25 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.44 -0.578 . . . . 0.54 109.44 174.093 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 534' ' ' GLU . . . . . 0.53 ' HG3' ' CD1' ' A' ' 552' ' ' LEU . 1.6 mp0 -57.0 -44.34 82.68 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.04 0.447 . . . . 1.32 110.342 -179.748 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -61.86 -41.88 98.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.652 -0.704 . . . . 1.95 111.698 -176.637 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 536' ' ' ASP . . . . . 0.476 ' O ' ' HG ' ' A' ' 540' ' ' LEU . 60.6 m-20 -58.9 -47.53 84.65 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 120.961 0.41 . . . . 0.52 110.655 -176.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 537' ' ' VAL . . . . . 0.536 HG13 HD12 ' A' ' 524' ' ' ILE . 48.4 t -63.35 -45.69 97.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.457 -0.792 . . . . 0.25 110.532 -177.356 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 92.6 mt -62.93 -40.42 88.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.777 -0.647 . . . . 0.24 111.005 178.787 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 539' ' ' ASN . . . . . 0.642 ' O ' ' HD3' ' A' ' 543' ' ' PRO . 5.2 m-20 -69.27 -28.75 66.57 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.906 -0.588 . . . . 1.07 112.104 -176.846 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 540' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' A' ' 536' ' ' ASP . 24.2 mt -64.11 -33.07 74.94 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.678 0.622 . . . . 0.36 112.678 -176.414 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -78.27 -32.1 44.49 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 119.906 -1.14 . . . . 0.22 111.953 179.627 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 542' ' ' LEU . . . . . 0.619 HD12 ' HA ' ' A' ' 539' ' ' ASN . 96.1 mt -53.82 -39.42 73.1 Favored Pre-proline 0 CA--C 1.549 0.922 0 N-CA-C 115.406 1.632 . . . . 0.25 115.406 -173.344 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 543' ' ' PRO . . . . . 0.642 ' HD3' ' O ' ' A' ' 539' ' ' ASN . 79.7 Cg_exo -53.39 -34.24 70.19 Favored 'Trans proline' 0 C--N 1.355 0.916 0 CA-C-N 121.258 1.485 . . . . 0.19 115.05 -174.863 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 544' ' ' PHE . . . . . 0.505 ' HB2' ' CB ' ' A' ' 572' ' ' MET . 90.6 m-85 -111.26 -18.47 12.94 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 113.094 0.775 . . . . 0.35 113.094 177.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 545' ' ' GLY . . . . . 0.567 ' CA ' ' HB1' ' A' ' 568' ' ' ALA . . . -131.61 -159.6 9.51 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.718 -0.753 . . . . 1.14 113.38 -179.434 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 546' ' ' LYS . . . . . 0.628 ' O ' ' HA ' ' A' ' 563' ' ' MET . 55.8 tttp -136.44 137.84 40.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 122.595 -0.356 . . . . 1.56 110.391 175.234 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 547' ' ' VAL . . . . . 0.497 ' HA ' ' O ' ' A' ' 562' ' ' GLU . 94.0 t -95.67 133.4 36.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 123.509 0.505 . . . . 0.25 111.049 -178.131 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 36.4 p -107.86 -38.14 5.91 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.759 -0.655 . . . . 0.37 111.288 175.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 43.9 m-20 -148.71 165.78 30.35 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.898 -0.592 . . . . 1.43 110.095 -176.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 7.8 p90 -147.82 148.59 31.06 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.055 0.455 . . . . 0.47 111.05 177.026 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 551' ' ' ILE . . . . . 0.451 HD12 HD22 ' A' ' 599' ' ' LEU . 25.8 mt -133.14 121.48 43.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 108.59 -0.893 . . . . 0.37 108.59 171.453 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 552' ' ' LEU . . . . . 0.53 ' CD1' ' HG3' ' A' ' 534' ' ' GLU . 77.3 mt -112.1 115.55 29.06 Favored 'General case' 0 C--N 1.312 -1.026 0 CA-C-N 116.02 -0.537 . . . . 0.45 111.585 -175.853 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 66.7 mtt -108.36 84.66 1.98 Allowed 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.094 -0.706 . . . . 1.18 109.094 173.628 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 27.8 mmtp -68.26 -35.54 78.05 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.311 -0.859 . . . . 1.45 110.634 -175.588 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 65.1 p -68.5 -23.07 64.51 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.595 -0.73 . . . . 1.11 112.123 -177.457 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 76.6 p -107.09 10.28 30.23 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.946 -0.302 . . . . 0.88 111.342 179.201 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 57.17 44.06 22.92 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 115.633 -0.712 . . . . 2.35 110.872 178.794 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -140.97 148.7 40.76 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.083 0.468 . . . . 2.07 110.831 -178.366 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 559' ' ' ALA . . . . . 0.5 ' O ' ' HA ' ' A' ' 523' ' ' HIS . . . -134.92 143.37 46.88 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 116.01 -0.541 . . . . 0.27 110.021 177.346 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 560' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -125.95 127.02 45.3 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.834 -0.432 . . . . 0.33 109.834 178.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 14.5 tp -126.72 129.95 49.4 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.026 -0.534 . . . . 0.22 109.782 -175.319 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 562' ' ' GLU . . . . . 0.497 ' O ' ' HA ' ' A' ' 547' ' ' VAL . 40.8 tt0 -99.21 137.97 36.97 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-O 120.647 0.261 . . . . 1.85 110.481 -174.517 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 563' ' ' MET . . . . . 0.628 ' HA ' ' O ' ' A' ' 546' ' ' LYS . 20.3 mmt -113.61 136.37 52.9 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.011 -0.54 . . . . 0.96 111.624 -175.194 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -65.05 -21.2 66.79 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-N 114.956 -1.02 . . . . 0.36 112.183 -176.856 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 565' ' ' TYR . . . . . 0.42 ' HB2' ' HB2' ' A' ' 568' ' ' ALA . 41.7 m-85 -130.78 139.89 50.26 Favored 'General case' 0 C--N 1.315 -0.933 0 N-CA-C 109.229 -0.656 . . . . 1.27 109.229 -177.81 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 15.0 t -66.85 -29.39 69.29 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.523 -0.547 . . . . 0.52 109.523 176.132 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -66.21 -40.5 90.4 Favored 'General case' 0 CA--C 1.511 -0.521 0 CA-C-N 115.837 -0.62 . . . . 1.91 110.019 173.052 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 568' ' ' ALA . . . . . 0.567 ' HB1' ' CA ' ' A' ' 545' ' ' GLY . . . -61.33 -46.33 90.71 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.407 -0.815 . . . . 0.28 110.687 -177.249 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 569' ' ' ALA . . . . . 0.448 ' HB1' ' HE1' ' A' ' 592' ' ' MET . . . -67.92 -47.7 68.01 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.192 -0.458 . . . . 0.19 111.693 -177.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 570' ' ' GLN . . . . . 0.587 ' O ' ' HG2' ' A' ' 574' ' ' GLN . 47.7 mt-30 -68.73 -45.79 70.59 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.564 -0.289 . . . . 1.21 111.334 -176.762 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -63.9 -45.37 89.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.511 -0.313 . . . . 0.31 111.625 -175.613 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 572' ' ' MET . . . . . 0.505 ' CB ' ' HB2' ' A' ' 544' ' ' PHE . 18.6 ptp -62.2 -43.76 98.1 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.053 0.454 . . . . 0.62 110.076 -178.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 573' ' ' VAL . . . . . 0.635 HG13 ' HA ' ' A' ' 591' ' ' ARG . 93.8 t -66.91 -35.96 76.01 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.752 0 CA-C-N 115.753 -0.658 . . . . 0.21 111.261 -178.116 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 574' ' ' GLN . . . . . 0.587 ' HG2' ' O ' ' A' ' 570' ' ' GLN . 29.1 mm-40 -58.63 -37.43 75.89 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.504 -0.554 . . . . 1.9 109.504 177.187 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 83.3 t80 -68.91 -49.6 56.74 Favored 'General case' 0 C--O 1.218 -0.563 0 CA-C-N 115.788 -0.642 . . . . 0.52 110.944 172.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 576' ' ' TYR . . . . . 0.483 ' CB ' ' HB ' ' A' ' 590' ' ' ILE . 25.4 m-85 -74.0 -17.02 61.04 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 112.894 0.702 . . . . 0.34 112.894 -172.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 17.7 mm-40 -73.96 -29.84 62.21 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-O 120.976 0.417 . . . . 1.84 110.231 173.121 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -98.25 -40.34 8.4 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.092 -0.503 . . . . 2.07 111.541 179.632 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -130.44 81.06 69.06 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-N 115.707 -0.679 . . . . 2.07 109.534 176.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_exo -67.74 159.9 50.66 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 123.515 2.81 . . . . 0.19 111.926 -175.497 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -91.71 135.93 33.52 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.927 0.394 . . . . 0.2 110.692 -172.421 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 45.3 mt -106.69 129.95 59.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-N 115.995 -0.548 . . . . 0.54 111.148 -173.33 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 583' ' ' ILE . . . . . 0.412 HD12 HD11 ' A' ' 588' ' ' LEU . 47.7 mt -121.81 117.95 54.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.353 -0.385 . . . . 0.73 110.367 176.026 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 52.85 44.73 29.96 Favored 'General case' 0 N--CA 1.464 0.262 0 O-C-N 123.703 0.627 . . . . 1.46 111.416 176.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 85.88 -4.11 86.28 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.98 -0.629 . . . . 0.67 113.386 176.729 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 60.2 mm-40 -101.94 126.58 48.89 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 117.19 0.495 . . . . 1.93 110.763 -179.245 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -84.48 107.14 16.57 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.772 -0.455 . . . . 2.12 109.772 178.85 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 588' ' ' LEU . . . . . 0.47 HD12 ' CD1' ' A' ' 540' ' ' LEU . 42.2 mt -89.17 123.22 33.22 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.178 -0.465 . . . . 0.28 110.297 -179.507 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 36.2 tp -83.03 109.2 16.9 Favored 'General case' 0 N--CA 1.437 -1.08 0 N-CA-C 108.47 -0.937 . . . . 0.38 108.47 174.606 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 590' ' ' ILE . . . . . 0.483 ' HB ' ' CB ' ' A' ' 576' ' ' TYR . 35.2 mt -95.94 115.24 34.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 N-CA-C 107.834 -1.173 . . . . 0.17 107.834 178.755 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 591' ' ' ARG . . . . . 0.635 ' HA ' HG13 ' A' ' 573' ' ' VAL . 13.5 ptm180 -142.35 158.78 43.34 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 113.055 0.761 . . . . 3.0 113.055 -169.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 592' ' ' MET . . . . . 0.618 ' HG2' HG11 ' A' ' 573' ' ' VAL . 0.1 OUTLIER -64.12 134.33 54.69 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.006 -0.997 . . . . 0.33 111.395 -174.89 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 593' ' ' SER . . . . . 0.566 ' OG ' ' HB3' ' A' ' 523' ' ' HIS . 19.3 m -88.78 127.1 35.6 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.624 0.25 . . . . 1.04 111.407 176.161 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 9.3 t -95.14 -23.34 17.34 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.244 -0.65 . . . . 1.6 109.244 171.663 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 39.6 mmt180 -71.4 -32.53 68.53 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.462 -0.79 . . . . 2.94 111.127 -178.257 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -124.78 130.95 53.39 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 110.25 -0.278 . . . . 0.93 110.25 179.002 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 44.0 mmtm -93.49 -35.52 12.91 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.303 0.573 . . . . 3.4 109.689 172.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -147.04 148.93 32.16 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.236 -0.893 . . . . 2.02 109.922 178.701 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 599' ' ' LEU . . . . . 0.451 HD22 HD12 ' A' ' 551' ' ' ILE . 80.1 mt . . . . . 0 C--N 1.322 -0.624 0 N-CA-C 109.702 -0.481 . . . . 1.02 109.702 175.456 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 71.6 t . . . . . 0 N--CA 1.448 -0.574 0 N-CA-C 108.44 -0.948 . . . . 0.44 108.44 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 522' ' ' VAL . . . . . . . . . . . . . 68.0 t -98.73 127.36 51.39 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.024 0 N-CA-C 109.865 -0.42 . . . . 0.25 109.865 -176.649 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 523' ' ' HIS . . . . . 0.467 ' HA ' ' O ' ' A' ' 559' ' ' ALA . 2.5 p-80 -106.37 138.29 42.82 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.23 0.538 . . . . 1.75 110.375 -179.701 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 524' ' ' ILE . . . . . 0.616 HD12 HG13 ' A' ' 537' ' ' VAL . 79.3 mt -112.1 137.7 43.82 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-N 115.351 -0.84 . . . . 0.28 110.056 -179.6 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 63.5 m -124.46 172.03 9.49 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.875 -0.602 . . . . 1.28 110.872 -174.361 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 63.9 37.7 9.37 Favored 'General case' 0 N--CA 1.467 0.38 0 O-C-N 123.72 0.637 . . . . 1.22 110.753 179.083 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 527' ' ' LEU . . . . . 0.414 HD21 HD13 ' A' ' 588' ' ' LEU . 80.4 mt -90.14 122.27 67.79 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 115.962 -0.563 . . . . 0.6 110.751 -177.223 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 528' ' ' PRO . . . . . 0.47 ' HD2' ' SG ' ' A' ' 532' ' ' CYS . 32.8 Cg_endo -68.45 129.18 18.52 Favored 'Trans proline' 0 C--O 1.237 0.469 0 C-N-CA 121.622 1.548 . . . . 0.62 111.793 174.293 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -68.7 126.65 30.4 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.681 -0.69 . . . . 2.98 110.43 178.045 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 88.54 -17.79 46.71 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.709 -0.758 . . . . 0.94 113.526 174.874 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 7.6 t -99.03 -37.44 9.36 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 117.454 0.627 . . . . 1.17 110.888 -177.309 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 532' ' ' CYS . . . . . 0.47 ' SG ' ' HD2' ' A' ' 528' ' ' PRO . 76.5 m -87.9 135.58 33.34 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 110.093 -0.336 . . . . 0.77 110.093 173.71 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 69.3 p -105.83 170.42 7.91 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.889 -0.325 . . . . 0.54 110.133 178.557 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -52.64 -44.21 65.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.316 0.579 . . . . 1.32 109.73 175.738 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -59.8 -43.49 94.42 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 114.965 -1.016 . . . . 1.95 112.065 -175.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 536' ' ' ASP . . . . . 0.711 ' O ' ' HG ' ' A' ' 540' ' ' LEU . 27.8 m-20 -62.27 -46.54 88.32 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 120.68 -0.408 . . . . 0.52 110.45 -177.907 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 537' ' ' VAL . . . . . 0.616 HG13 HD12 ' A' ' 524' ' ' ILE . 52.3 t -61.64 -45.61 98.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.764 -0.653 . . . . 0.25 110.285 -177.848 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 95.8 mt -67.07 -41.39 87.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.77 -0.65 . . . . 0.24 111.02 178.572 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 539' ' ' ASN . . . . . 0.622 ' O ' ' HD3' ' A' ' 543' ' ' PRO . 85.9 m-20 -63.94 -28.35 69.77 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-N 116.197 -0.456 . . . . 1.07 111.816 -178.527 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 540' ' ' LEU . . . . . 0.711 ' HG ' ' O ' ' A' ' 536' ' ' ASP . 51.7 mt -68.26 -36.95 80.23 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.132 0.419 . . . . 0.36 112.132 -177.472 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -75.46 -38.64 37.73 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.144 -1.027 . . . . 0.22 112.323 -179.052 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 542' ' ' LEU . . . . . . . . . . . . . 98.0 mt -49.69 -42.59 68.82 Favored Pre-proline 0 CA--C 1.552 1.028 0 N-CA-C 115.284 1.587 . . . . 0.25 115.284 -173.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 543' ' ' PRO . . . . . 0.622 ' HD3' ' O ' ' A' ' 539' ' ' ASN . 90.0 Cg_exo -52.4 -34.53 61.51 Favored 'Trans proline' 0 C--N 1.356 0.957 0 C-N-CA 121.892 1.728 . . . . 0.19 115.457 -173.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 544' ' ' PHE . . . . . 0.511 ' HB2' ' CB ' ' A' ' 572' ' ' MET . 82.4 m-85 -110.84 -17.63 13.29 Favored 'General case' 0 N--CA 1.466 0.351 0 O-C-N 121.569 -0.707 . . . . 0.35 112.799 177.264 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 545' ' ' GLY . . . . . 0.4 ' HA3' ' CE ' ' A' ' 572' ' ' MET . . . -131.41 -147.75 6.06 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.936 -0.649 . . . . 1.14 113.103 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 546' ' ' LYS . . . . . 0.646 ' O ' ' HA ' ' A' ' 563' ' ' MET . 59.9 tttp -148.77 143.84 26.63 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.649 -0.5 . . . . 1.56 109.649 174.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 547' ' ' VAL . . . . . 0.477 ' HA ' ' O ' ' A' ' 562' ' ' GLU . 97.0 t -100.35 130.2 49.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.039 0.447 . . . . 0.25 110.859 -177.894 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 26.6 p -103.36 -39.54 6.75 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.67 -0.696 . . . . 0.37 111.335 175.864 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 64.6 m-80 -148.96 166.23 29.24 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.896 -0.593 . . . . 1.43 109.864 -179.139 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 10.9 p90 -148.05 150.35 33.78 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.594 -0.276 . . . . 0.47 110.408 176.691 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 551' ' ' ILE . . . . . 0.473 HD12 HD22 ' A' ' 599' ' ' LEU . 14.2 mt -134.26 123.31 43.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 N-CA-C 109.008 -0.738 . . . . 0.37 109.008 173.463 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 552' ' ' LEU . . . . . . . . . . . . . 75.3 mt -111.78 113.6 26.06 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 116.316 -0.402 . . . . 0.45 111.549 -176.399 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 55.6 mtt -107.67 85.75 2.18 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.023 -0.732 . . . . 1.18 109.023 174.547 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp -67.97 -30.34 69.6 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.704 -0.68 . . . . 1.45 111.03 -176.258 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 67.1 p -63.25 -36.04 82.33 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.054 -0.521 . . . . 1.11 111.544 -178.655 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 556' ' ' THR . . . . . 0.4 ' O ' ' HG2' ' A' ' 558' ' ' GLN . 73.6 p -98.62 10.28 41.39 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.723 0.297 . . . . 0.88 111.363 -178.445 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 57.72 42.55 23.47 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.632 -0.713 . . . . 2.35 110.724 -179.675 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 558' ' ' GLN . . . . . 0.4 ' HG2' ' O ' ' A' ' 556' ' ' THR . 12.1 mm100 -135.88 148.7 48.72 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.189 0.519 . . . . 2.07 111.288 -174.661 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 559' ' ' ALA . . . . . 0.467 ' O ' ' HA ' ' A' ' 523' ' ' HIS . . . -132.87 143.83 49.78 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.786 -0.643 . . . . 0.27 109.897 175.427 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 560' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 -124.74 126.48 45.74 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 109.557 -0.534 . . . . 0.33 109.557 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 561' ' ' LEU . . . . . 0.406 HD12 ' HA ' ' A' ' 561' ' ' LEU . 14.4 tp -125.47 130.18 51.28 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.306 -0.406 . . . . 0.22 109.986 -176.452 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 562' ' ' GLU . . . . . 0.548 ' HB2' HD12 ' A' ' 599' ' ' LEU . 37.6 tt0 -100.08 138.14 37.56 Favored 'General case' 0 CA--C 1.515 -0.386 0 CA-C-N 116.416 -0.357 . . . . 1.85 110.42 -176.399 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 563' ' ' MET . . . . . 0.646 ' HA ' ' O ' ' A' ' 546' ' ' LYS . 16.4 mmt -112.55 135.67 52.99 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.063 -0.517 . . . . 0.96 110.805 -175.286 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -60.81 -24.01 65.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.466 -0.788 . . . . 0.36 112.84 -173.735 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -137.02 147.84 46.47 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.594 -0.275 . . . . 1.27 110.399 -177.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 15.2 t -58.88 -37.91 77.62 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.343 0.592 . . . . 0.52 110.316 177.542 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -67.21 -34.38 77.36 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.35 -0.841 . . . . 1.91 110.745 175.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 568' ' ' ALA . . . . . . . . . . . . . . . -61.94 -46.73 88.03 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.961 0.41 . . . . 0.28 109.952 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 569' ' ' ALA . . . . . 0.467 ' HA ' ' HG3' ' A' ' 563' ' ' MET . . . -68.55 -46.63 68.98 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.712 -0.677 . . . . 0.19 111.613 -179.605 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 570' ' ' GLN . . . . . 0.449 ' O ' ' HG2' ' A' ' 574' ' ' GLN . 55.1 mt-30 -68.8 -45.97 69.88 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.466 -0.334 . . . . 1.21 111.354 -175.885 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -62.14 -43.33 99.08 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 120.705 0.288 . . . . 0.31 111.38 -176.363 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 572' ' ' MET . . . . . 0.511 ' CB ' ' HB2' ' A' ' 544' ' ' PHE . 19.0 ptp -68.25 -47.21 68.36 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.608 -0.437 . . . . 0.62 110.628 -177.571 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 573' ' ' VAL . . . . . 0.542 HG11 ' HG2' ' A' ' 592' ' ' MET . 91.2 t -67.39 -36.54 76.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.543 0 CA-C-N 116.326 -0.397 . . . . 0.21 111.773 -176.127 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 574' ' ' GLN . . . . . 0.449 ' HG2' ' O ' ' A' ' 570' ' ' GLN . 27.2 mm-40 -58.85 -37.91 77.54 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.577 -0.527 . . . . 1.9 109.577 176.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 66.6 t80 -69.54 -49.66 52.29 Favored 'General case' 0 C--O 1.219 -0.531 0 CA-C-N 115.895 -0.593 . . . . 0.52 111.01 173.073 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 576' ' ' TYR . . . . . 0.44 ' CE1' ' HB2' ' A' ' 572' ' ' MET . 22.2 m-85 -72.82 -16.47 61.61 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 112.935 0.717 . . . . 0.34 112.935 -172.422 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -79.27 -27.53 42.31 Favored 'General case' 0 C--N 1.314 -0.952 0 C-N-CA 120.284 -0.566 . . . . 1.84 110.607 173.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -96.49 -39.21 9.67 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.047 0.451 . . . . 2.07 110.855 178.624 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 42.5 mtpt -130.07 82.83 65.17 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 115.772 -0.649 . . . . 2.07 109.565 173.762 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_exo -68.04 161.75 42.94 Favored 'Trans proline' 0 C--O 1.234 0.278 0 C-N-CA 123.667 2.912 . . . . 0.19 112.224 -176.491 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -90.49 141.34 28.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.002 0.43 . . . . 0.2 110.254 -173.175 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 582' ' ' ILE . . . . . 0.449 HG12 ' HG2' ' A' ' 587' ' ' LYS . 44.6 mt -115.29 123.56 70.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.878 -0.601 . . . . 0.54 111.742 -169.099 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 583' ' ' ILE . . . . . 0.439 HD11 HD11 ' A' ' 540' ' ' LEU . 3.3 mp -121.06 124.25 71.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.946 -0.57 . . . . 0.73 109.982 174.48 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 11.8 m120 60.19 33.9 21.07 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 121.126 0.488 . . . . 1.46 110.861 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 76.86 7.23 86.24 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.779 -0.724 . . . . 0.67 112.141 -179.152 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 586' ' ' GLU . . . . . 0.409 ' O ' ' HA ' ' A' ' 582' ' ' ILE . 45.2 mt-10 -103.24 126.52 50.45 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.776 0.322 . . . . 1.93 110.315 179.749 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 587' ' ' LYS . . . . . 0.449 ' HG2' HG12 ' A' ' 582' ' ' ILE . 98.3 mttt -82.8 115.16 21.58 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.382 -0.372 . . . . 2.12 110.315 179.272 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 588' ' ' LEU . . . . . 0.414 HD13 HD21 ' A' ' 527' ' ' LEU . 41.8 mt -90.13 123.01 33.61 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 109.408 -0.59 . . . . 0.28 109.408 174.31 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 45.9 tp -82.6 108.92 16.34 Favored 'General case' 0 C--N 1.311 -1.079 0 N-CA-C 108.633 -0.877 . . . . 0.38 108.633 174.782 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 590' ' ' ILE . . . . . . . . . . . . . 47.1 mt -94.44 115.32 32.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 N-CA-C 108.119 -1.067 . . . . 0.17 108.119 177.25 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 591' ' ' ARG . . . . . 0.451 ' HA ' HG13 ' A' ' 573' ' ' VAL . 30.6 ptt180 -140.8 153.72 45.93 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.587 0.588 . . . . 3.0 112.587 -170.494 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 592' ' ' MET . . . . . 0.542 ' HG2' HG11 ' A' ' 573' ' ' VAL . 0.8 OUTLIER -73.16 126.84 30.97 Favored 'General case' 0 CA--C 1.528 0.13 0 CA-C-N 115.226 -0.897 . . . . 0.33 110.156 -172.522 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 6.6 t -89.34 131.56 35.36 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.783 0.325 . . . . 1.04 110.501 178.06 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 17.7 p -94.74 -10.64 30.97 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.254 0.549 . . . . 1.6 110.518 176.244 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -82.13 -19.96 38.98 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.514 -0.766 . . . . 2.94 111.689 -176.256 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -125.75 132.26 52.36 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.093 0.473 . . . . 0.93 110.985 -178.848 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 51.9 tptt -92.42 -39.43 11.44 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.23 -0.895 . . . . 3.4 110.281 178.089 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -156.76 145.27 19.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.232 -0.894 . . . . 2.02 110.162 -175.657 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 599' ' ' LEU . . . . . 0.548 HD12 ' HB2' ' A' ' 562' ' ' GLU . 96.7 mt . . . . . 0 C--N 1.323 -0.569 0 CA-C-O 121.118 0.485 . . . . 1.02 110.499 176.638 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 93.0 t . . . . . 0 N--CA 1.449 -0.503 0 CA-C-O 121.18 0.514 . . . . 0.44 109.914 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 522' ' ' VAL . . . . . . . . . . . . . 67.6 t -105.56 133.95 48.44 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.952 0 CA-C-N 115.461 -0.791 . . . . 0.25 109.366 176.297 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 523' ' ' HIS . . . . . 0.476 ' HA ' ' O ' ' A' ' 559' ' ' ALA . 1.0 OUTLIER -107.52 132.88 52.77 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.735 -0.469 . . . . 1.75 109.735 -179.55 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 524' ' ' ILE . . . . . 0.538 HD12 HG13 ' A' ' 537' ' ' VAL . 77.4 mt -110.28 131.46 61.28 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.857 0 CA-C-N 115.69 -0.686 . . . . 0.28 110.427 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 15.0 p -122.37 176.34 5.93 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.707 -0.679 . . . . 1.28 110.474 -178.188 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 19.5 m120 69.06 26.33 5.63 Favored 'General case' 0 N--CA 1.468 0.454 0 O-C-N 123.76 0.663 . . . . 1.22 110.621 -178.849 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 527' ' ' LEU . . . . . 0.415 ' HA ' ' HD2' ' A' ' 528' ' ' PRO . 79.3 mt -81.36 121.16 79.88 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 115.909 -0.587 . . . . 0.6 111.056 -175.815 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 528' ' ' PRO . . . . . 0.523 ' HD2' ' SG ' ' A' ' 532' ' ' CYS . 36.2 Cg_endo -68.12 131.88 24.75 Favored 'Trans proline' 0 C--O 1.237 0.461 0 C-N-CA 122.287 1.992 . . . . 0.62 111.62 175.595 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -68.4 124.37 23.35 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.895 -0.593 . . . . 2.98 110.93 -177.208 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 84.03 -15.0 40.68 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 121.004 -0.617 . . . . 0.94 113.685 176.03 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 531' ' ' SER . . . . . 0.511 ' HB3' ' OD1' ' A' ' 584' ' ' ASN . 13.1 m -91.2 -35.76 14.33 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 117.324 0.562 . . . . 1.17 111.363 -176.516 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 532' ' ' CYS . . . . . 0.523 ' SG ' ' HD2' ' A' ' 528' ' ' PRO . 86.0 m -86.54 134.32 33.67 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.518 -0.31 . . . . 0.77 110.472 176.828 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 53.4 p -103.62 167.4 9.82 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.538 -0.542 . . . . 0.54 109.538 177.361 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -54.13 -46.34 72.18 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.229 0.537 . . . . 1.32 110.308 -178.822 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -61.14 -42.98 99.52 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.015 -0.993 . . . . 1.95 111.485 -176.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 536' ' ' ASP . . . . . 0.421 ' HB3' HD13 ' A' ' 583' ' ' ILE . 66.4 m-20 -59.79 -47.4 85.83 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 120.919 0.39 . . . . 0.52 111.59 -175.361 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 537' ' ' VAL . . . . . 0.538 HG13 HD12 ' A' ' 524' ' ' ILE . 51.6 t -62.61 -40.33 87.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.805 -0.634 . . . . 0.25 110.301 -177.715 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 538' ' ' ILE . . . . . 0.401 ' O ' ' HG ' ' A' ' 542' ' ' LEU . 85.8 mt -66.87 -42.29 88.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.632 -0.713 . . . . 0.24 110.343 177.075 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 539' ' ' ASN . . . . . 0.687 ' O ' ' HD3' ' A' ' 543' ' ' PRO . 94.0 m-20 -61.21 -29.21 69.68 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 115.614 -0.721 . . . . 1.07 111.787 -178.798 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 540' ' ' LEU . . . . . 0.483 ' CD1' HD12 ' A' ' 588' ' ' LEU . 27.7 mt -69.0 -36.03 77.36 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.281 0.474 . . . . 0.36 112.281 -176.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -79.4 -33.9 33.88 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.156 -1.021 . . . . 0.22 111.971 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 542' ' ' LEU . . . . . 0.401 ' HG ' ' O ' ' A' ' 538' ' ' ILE . 84.1 mt -53.85 -36.22 38.01 Favored Pre-proline 0 CA--C 1.55 0.963 0 N-CA-C 115.702 1.742 . . . . 0.25 115.702 -174.603 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 543' ' ' PRO . . . . . 0.687 ' HD3' ' O ' ' A' ' 539' ' ' ASN . 89.2 Cg_exo -55.87 -34.1 90.57 Favored 'Trans proline' 0 C--N 1.354 0.849 0 CA-C-N 121.498 1.571 . . . . 0.19 114.587 -176.57 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 544' ' ' PHE . . . . . 0.417 ' HB2' ' CB ' ' A' ' 572' ' ' MET . 70.6 m-85 -111.72 -18.35 12.77 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 113.21 0.819 . . . . 0.35 113.21 177.127 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 545' ' ' GLY . . . . . 0.565 ' CA ' ' HB1' ' A' ' 568' ' ' ALA . . . -134.04 -164.8 10.78 Favored Glycine 0 C--O 1.225 -0.418 0 C-N-CA 120.581 -0.819 . . . . 1.14 113.391 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 546' ' ' LYS . . . . . 0.576 ' O ' ' HA ' ' A' ' 563' ' ' MET . 23.9 tptm -136.7 143.11 43.21 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 110.209 -0.293 . . . . 1.56 110.209 179.286 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 547' ' ' VAL . . . . . 0.515 ' HA ' ' O ' ' A' ' 562' ' ' GLU . 89.7 t -104.91 136.06 40.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 123.4 0.438 . . . . 0.25 111.44 -174.378 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 58.0 p -101.96 -35.26 9.04 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 121.148 0.499 . . . . 0.37 110.841 176.375 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 23.7 p-10 -165.25 168.1 17.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.815 -0.63 . . . . 1.43 109.887 175.751 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 22.3 p90 -141.17 151.1 43.57 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.842 0.354 . . . . 0.47 110.82 -175.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 551' ' ' ILE . . . . . 0.445 HD12 HD22 ' A' ' 599' ' ' LEU . 32.9 mt -128.11 120.93 54.76 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 N-CA-C 108.675 -0.861 . . . . 0.37 108.675 171.452 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 552' ' ' LEU . . . . . . . . . . . . . 71.1 mt -111.56 110.77 21.35 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 116.029 -0.532 . . . . 0.45 111.517 -177.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 62.8 mtt -108.16 85.36 2.1 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.512 0.673 . . . . 1.18 109.715 174.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -67.68 -29.99 69.41 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.289 -0.869 . . . . 1.45 110.297 -178.335 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 67.2 p -63.68 -30.95 71.99 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.545 -0.752 . . . . 1.11 111.417 -179.455 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 71.9 p -101.78 8.67 41.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.783 0.325 . . . . 0.88 111.118 178.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 56.66 42.13 27.39 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.422 -0.808 . . . . 2.35 111.104 179.702 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -142.46 149.2 38.92 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.999 0.428 . . . . 2.07 110.591 -176.353 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 559' ' ' ALA . . . . . 0.476 ' O ' ' HA ' ' A' ' 523' ' ' HIS . . . -130.82 143.85 51.03 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.132 -0.486 . . . . 0.27 110.318 177.527 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 560' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 -124.59 126.15 45.32 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.994 0.426 . . . . 0.33 109.851 177.849 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 15.5 tp -123.98 127.21 47.59 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.994 -0.548 . . . . 0.22 109.884 -176.306 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 562' ' ' GLU . . . . . 0.515 ' O ' ' HA ' ' A' ' 547' ' ' VAL . 9.8 tp10 -99.78 138.32 37.03 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-O 120.654 0.264 . . . . 1.85 110.964 -174.193 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 563' ' ' MET . . . . . 0.576 ' HA ' ' O ' ' A' ' 546' ' ' LYS . 19.4 mmt -111.61 139.23 47.23 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.417 0.627 . . . . 0.96 111.535 -173.388 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -68.54 -22.34 64.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.087 -0.961 . . . . 0.36 111.44 -178.315 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -132.55 143.38 49.68 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.829 -0.804 . . . . 1.27 108.829 -179.062 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 566' ' ' THR . . . . . 0.531 ' O ' ' HG3' ' A' ' 570' ' ' GLN . 14.0 t -67.27 -37.98 84.34 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.941 -0.392 . . . . 0.52 109.941 178.497 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -66.51 -32.84 74.45 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-N 115.848 -0.615 . . . . 1.91 110.332 177.826 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 568' ' ' ALA . . . . . 0.565 ' HB1' ' CA ' ' A' ' 545' ' ' GLY . . . -62.21 -44.57 96.28 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.991 -0.549 . . . . 0.28 109.665 177.288 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -68.41 -46.28 70.39 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.654 -0.703 . . . . 0.19 111.546 178.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 570' ' ' GLN . . . . . 0.531 ' HG3' ' O ' ' A' ' 566' ' ' THR . 73.3 mt-30 -67.51 -46.88 71.59 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.51 -0.314 . . . . 1.21 111.258 -176.848 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -66.28 -39.08 89.16 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 116.424 -0.353 . . . . 0.31 111.43 -175.232 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 572' ' ' MET . . . . . 0.494 ' HG3' ' N ' ' A' ' 573' ' ' VAL . 14.7 ptp -67.59 -45.92 74.1 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 109.902 -0.407 . . . . 0.62 109.902 -179.553 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 573' ' ' VAL . . . . . 0.72 HG13 ' HA ' ' A' ' 591' ' ' ARG . 55.0 t -67.08 -37.5 79.41 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.559 0 CA-C-N 116.188 -0.46 . . . . 0.21 111.549 -177.02 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -59.29 -37.42 77.66 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.608 -0.515 . . . . 1.9 109.608 175.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 575' ' ' TYR . . . . . 0.411 ' HD2' ' CD2' ' A' ' 576' ' ' TYR . 72.6 t80 -69.1 -48.81 61.59 Favored 'General case' 0 C--O 1.216 -0.693 0 CA-C-N 115.906 -0.588 . . . . 0.52 111.276 173.779 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 576' ' ' TYR . . . . . 0.51 ' CB ' ' HB ' ' A' ' 590' ' ' ILE . 19.4 m-85 -75.93 -25.49 56.02 Favored 'General case' 0 C--O 1.222 -0.39 0 N-CA-C 112.873 0.694 . . . . 0.34 112.873 -171.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 2.4 mm100 -70.92 -26.4 63.19 Favored 'General case' 0 C--N 1.318 -0.763 0 O-C-N 121.952 -0.468 . . . . 1.84 110.361 174.706 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -97.41 -39.89 8.96 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.949 -0.569 . . . . 2.07 111.326 178.863 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -131.86 83.93 55.62 Favored Pre-proline 0 C--N 1.327 -0.41 0 N-CA-C 109.617 -0.512 . . . . 2.07 109.617 176.361 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_exo -73.24 159.74 46.51 Favored 'Trans proline' 0 CA--C 1.533 0.475 0 C-N-CA 123.5 2.8 . . . . 0.19 113.259 -173.036 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -93.68 153.86 18.13 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 115.883 -0.599 . . . . 0.2 111.35 -172.262 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 582' ' ' ILE . . . . . 0.45 HG12 ' HG2' ' A' ' 587' ' ' LYS . 64.0 mt -115.55 128.01 72.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 111.943 0.349 . . . . 0.54 111.943 -174.883 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 583' ' ' ILE . . . . . 0.421 HD13 ' HB3' ' A' ' 536' ' ' ASP . 48.2 mt -123.22 121.4 62.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.185 -0.461 . . . . 0.73 110.36 171.456 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 584' ' ' ASN . . . . . 0.511 ' OD1' ' HB3' ' A' ' 531' ' ' SER . 0.8 OUTLIER 59.38 34.51 22.8 Favored 'General case' 0 N--CA 1.469 0.52 0 O-C-N 123.433 0.458 . . . . 1.46 111.501 176.556 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 85.95 -0.23 87.63 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.915 -0.659 . . . . 0.67 113.156 178.192 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 36.6 mm-40 -102.2 127.28 49.21 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 110.002 -0.37 . . . . 1.93 110.002 179.513 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 587' ' ' LYS . . . . . 0.45 ' HG2' HG12 ' A' ' 582' ' ' ILE . 27.6 mtpp -85.02 107.47 17.15 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.251 -0.648 . . . . 2.12 109.251 177.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 588' ' ' LEU . . . . . 0.483 HD12 ' CD1' ' A' ' 540' ' ' LEU . 47.9 mt -88.06 130.74 34.9 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.849 -0.614 . . . . 0.28 110.584 -175.765 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 49.8 tp -83.98 109.23 17.47 Favored 'General case' 0 N--CA 1.44 -0.957 0 N-CA-C 108.863 -0.792 . . . . 0.38 108.863 173.427 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 590' ' ' ILE . . . . . 0.51 ' HB ' ' CB ' ' A' ' 576' ' ' TYR . 43.1 mt -96.88 115.08 35.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 N-CA-C 108.343 -0.984 . . . . 0.17 108.343 178.336 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 591' ' ' ARG . . . . . 0.72 ' HA ' HG13 ' A' ' 573' ' ' VAL . 10.3 ptm180 -145.6 164.6 31.18 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.978 0.418 . . . . 3.0 111.972 -174.274 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 592' ' ' MET . . . . . 0.53 ' HG2' HG11 ' A' ' 573' ' ' VAL . 0.8 OUTLIER -62.46 143.12 57.48 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.739 -0.664 . . . . 0.33 110.161 -174.838 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 24.6 t -87.65 126.77 35.15 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.764 0.316 . . . . 1.04 110.421 179.499 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 12.5 p -94.63 -22.41 18.18 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.242 0.544 . . . . 1.6 110.246 176.388 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 25.8 mtp180 -79.25 -40.77 29.78 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.527 -0.76 . . . . 2.94 111.017 -178.134 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -116.35 131.53 56.92 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.925 0.393 . . . . 0.93 110.519 178.588 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 597' ' ' LYS . . . . . 0.421 ' N ' ' HD3' ' A' ' 597' ' ' LYS . 0.0 OUTLIER -93.2 -27.12 17.06 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.62 -0.718 . . . . 3.4 110.104 175.788 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 598' ' ' GLU . . . . . 0.487 ' HA ' ' OE2' ' A' ' 562' ' ' GLU . 8.0 pt-20 -154.25 145.04 22.49 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.605 -0.725 . . . . 2.02 109.943 -177.775 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 599' ' ' LEU . . . . . 0.445 HD22 HD12 ' A' ' 551' ' ' ILE . 64.1 mt . . . . . 0 C--N 1.325 -0.498 0 CA-C-O 121.001 0.429 . . . . 1.02 110.994 178.428 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 521' ' ' VAL . . . . . 0.463 HG22 ' HG ' ' A' ' 599' ' ' LEU . 97.7 t . . . . . 0 N--CA 1.452 -0.356 0 CA-C-O 121.404 0.621 . . . . 0.44 111.844 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 522' ' ' VAL . . . . . . . . . . . . . 85.0 t -106.15 135.65 43.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 115.008 -0.996 . . . . 0.25 109.699 173.639 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -105.57 126.95 52.73 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.03 0.443 . . . . 1.75 110.088 -177.472 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 524' ' ' ILE . . . . . . . . . . . . . 69.3 mt -105.11 133.66 48.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.756 -0.656 . . . . 0.28 110.416 179.316 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 75.1 m -116.86 175.5 5.55 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.998 -0.546 . . . . 1.28 111.228 -177.799 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 64.8 m-20 70.05 28.68 4.04 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 115.563 -0.744 . . . . 1.22 110.945 177.565 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 527' ' ' LEU . . . . . 0.442 HD21 HD13 ' A' ' 588' ' ' LEU . 81.2 mt -90.59 122.72 66.76 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 115.644 -0.707 . . . . 0.6 111.585 -176.495 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 528' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -68.9 136.18 34.61 Favored 'Trans proline' 0 C--O 1.235 0.362 0 C-N-CA 123.052 2.501 . . . . 0.62 112.391 175.704 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -63.54 124.95 22.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.365 -0.379 . . . . 2.98 111.257 -177.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 76.9 -18.25 4.07 Favored Glycine 0 CA--C 1.52 0.393 0 CA-C-N 116.207 -0.451 . . . . 0.94 114.107 174.244 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 30.5 t -88.2 -11.26 47.26 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 117.192 0.496 . . . . 1.17 110.494 -177.446 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 532' ' ' CYS . . . . . 0.412 ' SG ' ' HB3' ' A' ' 527' ' ' LEU . 60.8 m -85.25 137.16 33.17 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.997 -0.547 . . . . 0.77 110.483 179.083 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 35.0 p -105.96 159.49 16.0 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.59 -0.522 . . . . 0.54 109.59 177.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -63.91 -47.73 79.39 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.083 0.468 . . . . 1.32 110.249 177.467 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -64.82 -44.1 90.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.529 -0.759 . . . . 1.95 112.37 -171.835 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 536' ' ' ASP . . . . . 0.507 ' O ' ' HG ' ' A' ' 540' ' ' LEU . 24.8 m-20 -65.5 -45.62 82.86 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.662 -0.415 . . . . 0.52 111.25 -175.567 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 95.3 t -62.72 -41.79 93.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.276 -0.42 . . . . 0.25 110.892 -178.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 98.9 mt -66.94 -45.96 86.06 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 CA-C-N 116.363 -0.381 . . . . 0.24 110.869 178.526 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 539' ' ' ASN . . . . . 0.596 ' O ' ' HD3' ' A' ' 543' ' ' PRO . 24.3 m-80 -62.98 -26.34 68.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.059 -0.518 . . . . 1.07 112.267 179.192 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 540' ' ' LEU . . . . . 0.554 HD22 ' HB1' ' A' ' 581' ' ' ALA . 22.2 mt -66.78 -36.73 83.1 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 111.799 0.296 . . . . 0.36 111.799 176.714 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -77.58 -42.1 18.52 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.219 -0.991 . . . . 0.22 112.247 -179.398 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 542' ' ' LEU . . . . . 0.582 ' HA ' ' O ' ' A' ' 545' ' ' GLY . 60.4 mt -47.62 -40.65 30.87 Favored Pre-proline 0 CA--C 1.551 1.002 0 N-CA-C 115.815 1.783 . . . . 0.25 115.815 -173.234 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 543' ' ' PRO . . . . . 0.596 ' HD3' ' O ' ' A' ' 539' ' ' ASN . 67.6 Cg_exo -50.21 -35.65 43.79 Favored 'Trans proline' 0 C--N 1.359 1.13 0 C-N-CA 122.035 1.823 . . . . 0.19 115.611 -173.857 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -112.13 -19.39 12.3 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.0 -0.68 . . . . 0.35 112.684 177.484 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 545' ' ' GLY . . . . . 0.607 ' HA2' ' HB1' ' A' ' 568' ' ' ALA . . . -144.87 136.41 6.6 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.447 -0.882 . . . . 1.14 113.369 177.316 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 546' ' ' LYS . . . . . 0.442 ' O ' ' HA ' ' A' ' 563' ' ' MET . 43.5 tttp -72.16 141.99 49.08 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.896 0.379 . . . . 1.56 111.033 -179.001 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 547' ' ' VAL . . . . . 0.401 ' HA ' ' O ' ' A' ' 562' ' ' GLU . 95.5 t -100.71 136.3 32.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.646 -0.707 . . . . 0.25 110.477 -178.6 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 39.6 p -107.06 -38.5 6.0 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.664 -0.698 . . . . 0.37 111.382 179.4 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -155.16 167.06 31.61 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.061 -0.518 . . . . 1.43 110.266 -178.022 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 54.1 p90 -144.97 151.05 38.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.999 0.428 . . . . 0.47 111.711 179.526 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 551' ' ' ILE . . . . . 0.422 HD12 HD22 ' A' ' 599' ' ' LEU . 46.2 mt -127.34 120.72 55.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 108.072 -1.084 . . . . 0.37 108.072 167.269 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 552' ' ' LEU . . . . . . . . . . . . . 83.3 mt -113.98 111.22 21.32 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 116.483 -0.326 . . . . 0.45 111.338 -176.555 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 64.9 mtt -108.01 82.59 1.66 Allowed 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.768 -0.827 . . . . 1.18 108.768 173.558 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -70.01 -32.87 71.27 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.396 -0.82 . . . . 1.45 111.207 -174.734 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 65.5 p -68.8 -27.31 65.75 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.005 -0.543 . . . . 1.11 111.766 -178.792 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 556' ' ' THR . . . . . 0.449 ' O ' ' HG3' ' A' ' 558' ' ' GLN . 78.1 p -103.96 12.45 34.23 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.735 0.302 . . . . 0.88 111.049 -178.681 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 16.5 m120 58.68 42.72 19.9 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 115.688 -0.687 . . . . 2.35 111.928 179.066 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 558' ' ' GLN . . . . . 0.449 ' HG3' ' O ' ' A' ' 556' ' ' THR . 46.1 mt-30 -139.47 148.12 42.28 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.089 0.471 . . . . 2.07 111.386 -176.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -140.72 142.91 34.78 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.699 -0.482 . . . . 0.27 109.699 172.397 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 560' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 -127.32 125.3 40.57 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 108.8 -0.815 . . . . 0.33 108.8 177.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 561' ' ' LEU . . . . . 0.514 ' HB3' ' HE1' ' A' ' 563' ' ' MET . 15.0 tp -122.21 135.7 54.8 Favored 'General case' 0 C--N 1.313 -0.996 0 N-CA-C 109.218 -0.66 . . . . 0.22 109.218 -173.71 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 562' ' ' GLU . . . . . 0.541 ' HB2' HD12 ' A' ' 599' ' ' LEU . 33.2 tt0 -100.22 127.73 46.43 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.989 0.423 . . . . 1.85 110.608 -176.272 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 563' ' ' MET . . . . . 0.757 ' HG2' ' SD ' ' A' ' 572' ' ' MET . 0.6 OUTLIER -104.94 134.24 48.39 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.488 -0.778 . . . . 0.96 110.429 -179.492 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -63.78 -31.97 73.32 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.045 -0.979 . . . . 0.36 111.998 -174.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -124.56 133.86 53.16 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.107 -0.497 . . . . 1.27 109.777 -171.749 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 3.7 t -61.61 -37.48 84.1 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.833 -0.621 . . . . 0.52 110.646 178.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -66.95 -33.93 76.65 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-O 120.92 0.391 . . . . 1.91 110.137 176.817 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 568' ' ' ALA . . . . . 0.607 ' HB1' ' HA2' ' A' ' 545' ' ' GLY . . . -65.35 -46.65 79.38 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.77 -0.65 . . . . 0.28 109.994 178.009 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 569' ' ' ALA . . . . . 0.834 ' HA ' ' SD ' ' A' ' 572' ' ' MET . . . -67.0 -45.7 76.78 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.602 -0.726 . . . . 0.19 111.747 -176.705 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 570' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -68.1 -43.85 77.54 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.186 -0.461 . . . . 1.21 111.141 -176.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -69.05 -43.28 74.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.4 -0.364 . . . . 0.31 111.818 -177.787 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 572' ' ' MET . . . . . 0.834 ' SD ' ' HA ' ' A' ' 569' ' ' ALA . 6.7 ptm -59.73 -44.56 93.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.953 0.406 . . . . 0.62 110.517 -176.108 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 573' ' ' VAL . . . . . 0.471 HG21 ' HE3' ' A' ' 592' ' ' MET . 61.0 t -66.97 -36.36 76.96 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.698 0 CA-C-N 115.976 -0.557 . . . . 0.21 111.008 -178.386 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -59.36 -36.74 76.3 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.887 -0.325 . . . . 1.9 110.213 177.078 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 79.2 t80 -68.02 -49.72 59.76 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.307 -0.406 . . . . 0.52 110.921 172.676 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 576' ' ' TYR . . . . . 0.416 ' CB ' ' HB ' ' A' ' 590' ' ' ILE . 24.5 m-85 -73.64 -16.3 61.23 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.537 0.569 . . . . 0.34 112.537 -173.772 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 80.9 mm-40 -79.47 -27.0 41.56 Favored 'General case' 0 C--N 1.317 -0.837 0 O-C-N 122.134 -0.354 . . . . 1.84 110.859 174.786 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -97.06 -39.73 9.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.244 0.545 . . . . 2.07 111.065 177.172 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -130.36 80.22 70.9 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 115.633 -0.712 . . . . 2.07 109.486 177.781 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 14.4 Cg_exo -70.92 159.09 53.64 Favored 'Trans proline' 0 C--O 1.233 0.259 0 C-N-CA 123.555 2.837 . . . . 0.19 113.255 -172.81 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 581' ' ' ALA . . . . . 0.554 ' HB1' HD22 ' A' ' 540' ' ' LEU . . . -93.93 154.48 17.67 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.616 -0.72 . . . . 0.2 110.819 -174.849 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 64.5 mt -119.86 137.52 53.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 112.02 0.378 . . . . 0.54 112.02 -171.7 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 583' ' ' ILE . . . . . 0.514 ' CG1' HD11 ' A' ' 588' ' ' LEU . 29.4 mm -121.97 117.77 53.44 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.216 0 CA-C-N 116.223 -0.444 . . . . 0.73 110.309 172.153 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 57.4 37.24 27.85 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 120.795 0.331 . . . . 1.46 111.515 175.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 84.07 0.73 89.68 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.517 -0.849 . . . . 0.67 112.818 179.547 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -101.03 126.11 47.69 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.591 -0.522 . . . . 1.93 109.591 179.29 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 27.3 mtpp -83.29 107.47 15.84 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.128 0.49 . . . . 2.12 110.228 -177.563 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 588' ' ' LEU . . . . . 0.514 HD11 ' CG1' ' A' ' 583' ' ' ILE . 31.8 mt -84.29 139.46 32.3 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.702 -0.681 . . . . 0.28 110.611 -176.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 31.3 tp -95.36 110.08 22.15 Favored 'General case' 0 C--N 1.31 -1.12 0 N-CA-C 108.692 -0.855 . . . . 0.38 108.692 171.783 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 590' ' ' ILE . . . . . 0.416 ' HB ' ' CB ' ' A' ' 576' ' ' TYR . 38.0 mt -95.96 115.26 34.69 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 N-CA-C 108.139 -1.06 . . . . 0.17 108.139 178.186 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 591' ' ' ARG . . . . . 0.443 ' HA ' HG13 ' A' ' 573' ' ' VAL . 13.6 ptm180 -135.53 160.25 39.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.018 0.437 . . . . 3.0 111.786 -170.9 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 592' ' ' MET . . . . . 0.471 ' HE3' HG21 ' A' ' 573' ' ' VAL . 0.2 OUTLIER -64.47 126.76 28.85 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.128 -0.693 . . . . 0.33 109.128 177.611 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 32.9 t -75.04 127.0 32.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.074 0.464 . . . . 1.04 111.062 -174.094 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 13.3 t -98.53 4.05 48.18 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.68 -0.691 . . . . 1.6 109.671 175.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 35.2 mmt180 -103.78 -39.36 6.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.834 -0.621 . . . . 2.94 110.873 -177.379 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 65.2 m-85 -124.8 135.4 52.91 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.342 -0.39 . . . . 0.93 110.695 -177.161 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -89.85 -41.43 11.82 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.231 -0.655 . . . . 3.4 109.231 172.38 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -143.45 155.59 44.41 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.049 -0.978 . . . . 2.02 109.218 176.487 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 599' ' ' LEU . . . . . 0.541 HD12 ' HB2' ' A' ' 562' ' ' GLU . 93.4 mt . . . . . 0 C--N 1.321 -0.662 0 CA-C-O 121.11 0.481 . . . . 1.02 110.548 -179.196 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 521' ' ' VAL . . . . . 0.428 ' HB ' ' O ' ' A' ' 596' ' ' TYR . 78.3 t . . . . . 0 N--CA 1.451 -0.382 0 CA-C-O 121.21 0.529 . . . . 0.44 110.814 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 522' ' ' VAL . . . . . . . . . . . . . 49.4 t -101.96 135.42 38.88 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-N 115.447 -0.797 . . . . 0.25 109.495 175.78 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 20.3 t-80 -105.35 116.67 32.34 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.048 0.451 . . . . 1.75 110.544 -176.755 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 524' ' ' ILE . . . . . 0.481 HD12 HG13 ' A' ' 537' ' ' VAL . 73.6 mt -108.64 123.73 64.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 115.483 -0.78 . . . . 0.28 109.773 177.808 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 525' ' ' CYS . . . . . 0.428 ' SG ' ' HG2' ' A' ' 558' ' ' GLN . 23.7 t -121.22 176.32 5.67 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.207 -0.451 . . . . 1.28 110.075 -177.611 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 68.1 30.81 5.7 Favored 'General case' 0 C--N 1.331 -0.229 0 O-C-N 123.775 0.672 . . . . 1.22 110.599 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 527' ' ' LEU . . . . . 0.433 HD21 HD13 ' A' ' 588' ' ' LEU . 87.4 mt -86.34 120.24 72.07 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 116.086 -0.506 . . . . 0.6 110.763 -178.306 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 528' ' ' PRO . . . . . 0.527 ' HD2' ' SG ' ' A' ' 532' ' ' CYS . 37.3 Cg_endo -69.74 130.45 19.39 Favored 'Trans proline' 0 C--O 1.237 0.453 0 C-N-CA 122.019 1.813 . . . . 0.62 111.766 175.344 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.57 139.34 53.7 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.178 -0.465 . . . . 2.98 110.797 177.799 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 82.17 -18.7 12.41 Favored Glycine 0 N--CA 1.449 -0.462 0 CA-C-N 115.795 -0.639 . . . . 0.94 113.262 177.84 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 17.2 m -99.6 -38.32 8.79 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 117.181 0.49 . . . . 1.17 110.676 179.038 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 532' ' ' CYS . . . . . 0.527 ' SG ' ' HD2' ' A' ' 528' ' ' PRO . 71.6 m -89.17 126.26 35.4 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.283 -0.417 . . . . 0.77 110.556 174.427 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 39.2 p -105.9 170.88 7.65 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.702 -0.481 . . . . 0.54 109.702 176.367 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 534' ' ' GLU . . . . . 0.519 ' HG2' ' CD1' ' A' ' 552' ' ' LEU . 34.1 mt-10 -53.07 -46.38 68.56 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.096 0.474 . . . . 1.32 110.468 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -62.98 -42.65 99.9 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.176 -0.92 . . . . 1.95 111.986 -174.337 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 536' ' ' ASP . . . . . 0.567 ' O ' ' HG ' ' A' ' 540' ' ' LEU . 48.2 m-20 -59.65 -46.06 90.15 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 120.845 0.355 . . . . 0.52 111.126 -175.411 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 537' ' ' VAL . . . . . 0.481 HG13 HD12 ' A' ' 524' ' ' ILE . 60.7 t -61.89 -42.78 95.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.812 -0.631 . . . . 0.25 110.183 -178.18 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 538' ' ' ILE . . . . . 0.444 ' O ' ' HG ' ' A' ' 542' ' ' LEU . 85.1 mt -66.1 -45.63 89.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.758 -0.655 . . . . 0.24 110.588 178.119 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -61.23 -28.37 69.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.611 -0.722 . . . . 1.07 111.85 -178.072 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 540' ' ' LEU . . . . . 0.567 ' HG ' ' O ' ' A' ' 536' ' ' ASP . 52.9 mt -73.84 -33.38 64.09 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 111.612 0.227 . . . . 0.36 111.612 179.125 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -78.9 -40.4 17.34 Favored Glycine 0 N--CA 1.453 -0.173 0 C-N-CA 120.366 -0.921 . . . . 0.22 112.565 -177.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 542' ' ' LEU . . . . . 0.591 ' HA ' ' O ' ' A' ' 545' ' ' GLY . 87.7 mt -47.65 -46.29 60.5 Favored Pre-proline 0 CA--C 1.546 0.81 0 N-CA-C 114.706 1.372 . . . . 0.25 114.706 -174.504 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -46.9 -34.48 16.33 Favored 'Trans proline' 0 C--N 1.361 1.186 0 C-N-CA 122.612 2.208 . . . . 0.19 115.59 -172.869 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 544' ' ' PHE . . . . . 0.513 ' HB2' ' CB ' ' A' ' 572' ' ' MET . 74.1 m-85 -111.83 -18.15 12.77 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.158 -0.617 . . . . 0.35 112.633 175.141 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 545' ' ' GLY . . . . . 0.591 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . -150.45 133.98 4.57 Favored Glycine 0 C--O 1.225 -0.435 0 C-N-CA 120.65 -0.786 . . . . 1.14 113.243 179.02 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -70.56 137.97 50.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.976 0.417 . . . . 1.56 111.386 179.376 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 91.1 t -94.69 136.27 26.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.276 -0.875 . . . . 0.25 110.89 -177.741 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 33.6 p -104.99 -42.06 5.43 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.043 -0.526 . . . . 0.37 112.133 178.181 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 67.6 m-80 -149.48 165.79 31.09 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.699 -0.482 . . . . 1.43 109.699 -177.719 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 33.3 p90 -148.96 149.48 31.25 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.11 0.481 . . . . 0.47 111.082 178.427 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 551' ' ' ILE . . . . . 0.471 HD12 HD22 ' A' ' 599' ' ' LEU . 15.7 mt -128.96 124.54 61.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 109.021 -0.733 . . . . 0.37 109.021 173.703 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 552' ' ' LEU . . . . . 0.519 ' CD1' ' HG2' ' A' ' 534' ' ' GLU . 85.1 mt -110.32 111.01 22.03 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 116.283 -0.417 . . . . 0.45 111.245 -176.282 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 65.1 mtt -107.58 84.31 1.94 Allowed 'General case' 0 N--CA 1.446 -0.64 0 CA-C-O 121.876 0.846 . . . . 1.18 108.741 173.778 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 30.1 mmtp -67.79 -29.2 68.33 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.488 -1.233 . . . . 1.45 110.508 -176.861 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 66.0 p -55.41 -32.46 62.68 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.519 -0.764 . . . . 1.11 111.049 176.792 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 556' ' ' THR . . . . . 0.501 ' O ' ' HG3' ' A' ' 558' ' ' GLN . 71.2 p -104.83 4.41 32.12 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.332 -0.394 . . . . 0.88 111.307 -179.313 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 18.2 m120 57.11 41.31 27.48 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 115.492 -0.776 . . . . 2.35 111.147 -176.136 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 558' ' ' GLN . . . . . 0.501 ' HG3' ' O ' ' A' ' 556' ' ' THR . 75.2 mt-30 -139.48 149.88 44.5 Favored 'General case' 0 N--CA 1.443 -0.819 0 CA-C-O 121.122 0.486 . . . . 2.07 111.184 -175.026 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -130.68 145.94 52.04 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.732 -0.667 . . . . 0.27 110.534 178.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 560' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 -116.45 125.25 51.72 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 109.037 -0.727 . . . . 0.33 109.037 175.475 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 14.8 tp -122.55 121.76 37.28 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 116.226 -0.443 . . . . 0.22 109.877 -173.315 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 562' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -99.64 137.82 37.59 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.732 0.301 . . . . 1.85 110.624 -174.605 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 563' ' ' MET . . . . . . . . . . . . . 17.5 mmt -113.75 145.02 42.0 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.929 -0.578 . . . . 0.96 111.266 -174.436 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -64.78 -21.57 66.8 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.029 -0.987 . . . . 0.36 112.179 -176.159 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -134.23 145.03 48.78 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.057 -0.519 . . . . 1.27 110.371 -176.559 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 5.9 t -63.11 -36.99 85.45 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.458 -0.792 . . . . 0.52 109.988 174.441 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -66.87 -37.49 84.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.085 -0.507 . . . . 1.91 111.021 175.608 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 568' ' ' ALA . . . . . 0.549 ' HB1' ' CA ' ' A' ' 545' ' ' GLY . . . -61.8 -46.09 91.03 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.063 -0.517 . . . . 0.28 110.404 -177.909 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 569' ' ' ALA . . . . . 0.461 ' HB1' ' HE1' ' A' ' 592' ' ' MET . . . -67.98 -45.81 73.11 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.627 -0.715 . . . . 0.19 111.56 -179.446 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 570' ' ' GLN . . . . . 0.504 ' O ' ' HG2' ' A' ' 574' ' ' GLN . 49.9 mt-30 -68.16 -45.84 72.41 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.476 -0.329 . . . . 1.21 111.541 -177.19 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -62.34 -42.96 99.81 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.66 -0.246 . . . . 0.31 111.223 -176.58 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 572' ' ' MET . . . . . 0.513 ' CB ' ' HB2' ' A' ' 544' ' ' PHE . 14.4 ptp -64.49 -45.15 88.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.39 -0.368 . . . . 0.62 110.23 -179.577 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 573' ' ' VAL . . . . . 0.736 HG13 ' HA ' ' A' ' 591' ' ' ARG . 61.6 t -66.91 -37.82 80.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 116.108 -0.497 . . . . 0.21 111.555 -176.816 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 574' ' ' GLN . . . . . 0.504 ' HG2' ' O ' ' A' ' 570' ' ' GLN . 83.4 mm-40 -59.44 -37.17 77.43 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.606 -0.516 . . . . 1.9 109.606 177.569 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 59.3 t80 -69.41 -50.14 48.7 Favored 'General case' 0 C--O 1.219 -0.521 0 CA-C-N 116.113 -0.494 . . . . 0.52 111.041 173.654 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 576' ' ' TYR . . . . . 0.457 ' CB ' ' HB ' ' A' ' 590' ' ' ILE . 19.8 m-85 -74.26 -16.76 60.94 Favored 'General case' 0 C--O 1.222 -0.378 0 N-CA-C 113.001 0.741 . . . . 0.34 113.001 -171.762 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 90.8 mt-30 -75.79 -28.92 58.57 Favored 'General case' 0 C--N 1.317 -0.822 0 C-N-CA 120.042 -0.663 . . . . 1.84 110.756 173.629 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -97.62 -38.31 9.58 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.041 0.448 . . . . 2.07 111.236 177.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 26.8 mmmt -129.47 81.46 69.9 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-O 121.265 0.555 . . . . 2.07 110.167 174.453 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -69.71 159.4 53.58 Favored 'Trans proline' 0 C--O 1.235 0.341 0 C-N-CA 123.532 2.822 . . . . 0.19 112.632 -176.228 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -92.76 147.6 22.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.972 -0.558 . . . . 0.2 110.553 -175.608 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 582' ' ' ILE . . . . . 0.422 HG12 ' HG2' ' A' ' 587' ' ' LYS . 54.3 mt -116.19 131.76 67.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 116.115 -0.493 . . . . 0.54 111.556 -170.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 583' ' ' ILE . . . . . 0.454 HD12 HD11 ' A' ' 588' ' ' LEU . 47.5 mt -121.23 117.33 52.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.149 -0.478 . . . . 0.73 110.131 172.482 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 13.5 m120 54.98 42.27 31.19 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.864 -0.607 . . . . 1.46 111.798 176.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 84.86 -2.64 88.09 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.708 -0.758 . . . . 0.67 113.205 176.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 -101.13 125.64 47.76 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.698 -0.482 . . . . 1.93 109.698 179.361 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 587' ' ' LYS . . . . . 0.422 ' HG2' HG12 ' A' ' 582' ' ' ILE . 53.3 mtpt -86.48 110.13 19.55 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.779 -0.452 . . . . 2.12 109.779 179.534 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 588' ' ' LEU . . . . . 0.454 HD11 HD12 ' A' ' 583' ' ' ILE . 41.0 mt -84.9 125.44 32.64 Favored 'General case' 0 CA--C 1.504 -0.812 0 N-CA-C 109.706 -0.479 . . . . 0.28 109.706 179.579 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 55.8 tp -82.33 107.86 15.32 Favored 'General case' 0 N--CA 1.434 -1.24 0 N-CA-C 107.768 -1.197 . . . . 0.38 107.768 172.087 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 590' ' ' ILE . . . . . 0.457 ' HB ' ' CB ' ' A' ' 576' ' ' TYR . 64.9 mt -95.42 115.07 33.45 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.908 0 N-CA-C 108.081 -1.081 . . . . 0.17 108.081 179.018 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 591' ' ' ARG . . . . . 0.736 ' HA ' HG13 ' A' ' 573' ' ' VAL . 14.8 ptt180 -141.95 162.24 35.98 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.022 0.439 . . . . 3.0 112.029 -171.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 592' ' ' MET . . . . . 0.617 ' HG2' HG11 ' A' ' 573' ' ' VAL . 0.1 OUTLIER -65.93 132.84 49.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.72 -0.673 . . . . 0.33 110.283 -176.804 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 32.1 t -80.93 127.11 32.2 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.022 0.439 . . . . 1.04 110.55 -178.427 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 8.8 t -97.63 5.7 49.03 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.53 0.681 . . . . 1.6 109.547 174.649 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 92.0 mtt180 -96.63 -41.15 8.66 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.639 -0.709 . . . . 2.94 110.165 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 596' ' ' TYR . . . . . 0.428 ' O ' ' HB ' ' A' ' 521' ' ' VAL . 33.4 m-85 -131.93 134.47 45.69 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.078 -0.51 . . . . 0.93 110.304 179.601 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -90.54 -27.21 19.32 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.355 -0.609 . . . . 3.4 109.355 172.293 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -149.44 150.92 33.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.385 -0.825 . . . . 2.02 109.893 177.877 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 599' ' ' LEU . . . . . 0.471 HD22 HD12 ' A' ' 551' ' ' ILE . 96.1 mt . . . . . 0 C--N 1.322 -0.624 0 CA-C-N 116.096 -0.502 . . . . 1.02 109.877 179.755 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 521' ' ' VAL . . . . . 0.425 HG22 ' HG ' ' A' ' 599' ' ' LEU . 94.7 t . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 121.375 0.607 . . . . 0.44 111.086 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 522' ' ' VAL . . . . . . . . . . . . . 96.8 t -106.85 134.72 47.68 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 CA-C-N 115.352 -0.84 . . . . 0.25 109.452 174.279 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 523' ' ' HIS . . . . . 0.525 ' HA ' ' O ' ' A' ' 559' ' ' ALA . 5.8 p-80 -110.14 134.26 52.38 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.259 0.552 . . . . 1.75 110.101 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 524' ' ' ILE . . . . . 0.521 HD12 HG13 ' A' ' 537' ' ' VAL . 97.2 mt -111.06 137.05 45.18 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-N 115.59 -0.732 . . . . 0.28 110.779 -176.154 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 62.3 m -117.8 175.13 5.8 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.016 -0.538 . . . . 1.28 111.234 -175.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 17.5 m120 68.87 26.29 5.92 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.31 -0.859 . . . . 1.22 111.098 176.55 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 527' ' ' LEU . . . . . 0.444 HD21 HD13 ' A' ' 588' ' ' LEU . 79.2 mt -87.9 119.42 70.49 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 116.152 -0.476 . . . . 0.6 111.423 -176.648 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 528' ' ' PRO . . . . . 0.504 ' HD2' ' SG ' ' A' ' 532' ' ' CYS . 36.7 Cg_endo -69.69 130.09 18.8 Favored 'Trans proline' 0 N--CA 1.46 -0.499 0 C-N-CA 121.7 1.6 . . . . 0.62 111.453 172.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -69.71 139.17 53.38 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.172 -0.467 . . . . 2.98 111.031 177.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 80.47 -17.95 9.5 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 121.019 -0.61 . . . . 0.94 113.647 175.392 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 14.0 t -98.72 -34.23 10.61 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.936 0.398 . . . . 1.17 110.698 -178.139 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 532' ' ' CYS . . . . . 0.504 ' SG ' ' HD2' ' A' ' 528' ' ' PRO . 59.3 m -80.35 142.09 34.78 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.35 -0.386 . . . . 0.77 110.217 178.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 52.7 p -105.42 165.91 10.8 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.862 -0.422 . . . . 0.54 109.862 176.544 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -62.93 -36.89 84.9 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.066 0.46 . . . . 1.32 109.785 177.822 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -62.33 -44.13 97.22 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.472 -0.786 . . . . 1.95 111.865 179.634 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 536' ' ' ASP . . . . . 0.538 ' O ' ' HG ' ' A' ' 540' ' ' LEU . 65.2 m-20 -61.53 -48.08 82.67 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 120.773 0.321 . . . . 0.52 111.489 -173.534 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 537' ' ' VAL . . . . . 0.521 HG13 HD12 ' A' ' 524' ' ' ILE . 86.1 t -65.0 -42.14 93.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.992 -0.549 . . . . 0.25 110.967 -176.047 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 83.2 mt -66.17 -43.75 91.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 121.23 0.538 . . . . 0.24 110.123 177.778 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 539' ' ' ASN . . . . . 0.467 ' O ' ' HD3' ' A' ' 543' ' ' PRO . 76.4 m-20 -62.71 -26.14 68.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.485 -0.779 . . . . 1.07 112.11 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 540' ' ' LEU . . . . . 0.538 ' HG ' ' O ' ' A' ' 536' ' ' ASP . 29.8 mt -69.91 -39.55 76.12 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.902 -0.319 . . . . 0.36 111.655 177.039 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -77.14 -41.14 22.74 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.306 -0.949 . . . . 0.22 112.449 -177.128 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 542' ' ' LEU . . . . . 0.512 ' HA ' ' O ' ' A' ' 545' ' ' GLY . 69.4 mt -48.36 -44.5 64.33 Favored Pre-proline 0 CA--C 1.549 0.906 0 N-CA-C 115.114 1.524 . . . . 0.25 115.114 -173.443 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 543' ' ' PRO . . . . . 0.467 ' HD3' ' O ' ' A' ' 539' ' ' ASN . 75.8 Cg_exo -51.16 -34.47 48.24 Favored 'Trans proline' 0 C--N 1.359 1.103 0 C-N-CA 122.558 2.172 . . . . 0.19 115.77 -173.017 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 544' ' ' PHE . . . . . 0.487 ' HB2' ' CB ' ' A' ' 572' ' ' MET . 96.1 m-85 -111.1 -18.41 13.02 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.038 -0.665 . . . . 0.35 112.379 177.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 545' ' ' GLY . . . . . 0.523 ' CA ' ' HB1' ' A' ' 568' ' ' ALA . . . -148.81 136.99 6.1 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.779 -0.724 . . . . 1.14 112.952 178.032 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 546' ' ' LYS . . . . . 0.41 ' O ' ' HA ' ' A' ' 563' ' ' MET . 23.6 tptm -69.09 143.36 54.22 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.744 0.307 . . . . 1.56 111.143 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 88.9 t -105.07 135.22 44.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.83 -0.623 . . . . 0.25 110.907 -179.102 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 28.4 p -104.69 -40.24 6.06 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.982 -0.554 . . . . 0.37 112.046 178.295 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 67.6 m-80 -150.1 167.06 27.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.379 -0.373 . . . . 1.43 110.144 -178.064 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 38.9 p90 -148.82 150.48 33.1 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.883 0.373 . . . . 0.47 111.152 179.4 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 551' ' ' ILE . . . . . 0.433 HD12 HD22 ' A' ' 599' ' ' LEU . 29.2 mt -134.24 121.49 37.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 108.596 -0.89 . . . . 0.37 108.596 170.838 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 552' ' ' LEU . . . . . . . . . . . . . 83.0 mt -112.55 110.07 20.01 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 116.332 -0.395 . . . . 0.45 111.608 -174.413 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 63.8 mtt -109.72 82.41 1.59 Allowed 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.891 -0.781 . . . . 1.18 108.891 171.784 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 40.2 mttp -69.69 -30.69 68.4 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.425 -0.807 . . . . 1.45 110.903 -171.783 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 64.5 p -65.21 -22.57 66.91 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.796 -0.638 . . . . 1.11 111.602 -179.223 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 66.4 p -99.48 9.97 42.25 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 111.802 0.297 . . . . 0.88 111.802 178.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 56.87 41.79 27.41 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 121.507 0.67 . . . . 2.35 110.19 -178.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 21.4 mm-40 -146.69 149.37 33.32 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.91 -0.586 . . . . 2.07 110.425 -175.31 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 559' ' ' ALA . . . . . 0.525 ' O ' ' HA ' ' A' ' 523' ' ' HIS . . . -139.39 143.93 37.92 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 116.175 -0.466 . . . . 0.27 109.95 174.237 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 560' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -118.5 125.79 50.63 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 109.468 -0.567 . . . . 0.33 109.468 178.251 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 561' ' ' LEU . . . . . 0.502 ' HB3' ' HE1' ' A' ' 563' ' ' MET . 15.8 tp -125.75 131.21 52.56 Favored 'General case' 0 C--N 1.314 -0.952 0 N-CA-C 109.322 -0.621 . . . . 0.22 109.322 -175.748 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 562' ' ' GLU . . . . . 0.425 ' HB2' HD12 ' A' ' 599' ' ' LEU . 42.4 tt0 -100.48 134.08 43.96 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.887 0.375 . . . . 1.85 110.453 -176.519 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 563' ' ' MET . . . . . 0.613 ' HE2' ' SD ' ' A' ' 572' ' ' MET . 1.1 mpt? -109.55 139.61 44.35 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 121.505 0.669 . . . . 0.96 110.95 -177.829 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -60.97 -41.18 95.88 Favored 'General case' 0 C--O 1.22 -0.458 0 CA-C-N 114.139 -1.391 . . . . 0.36 111.93 -175.208 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 66.1 m-85 -115.22 147.13 40.73 Favored 'General case' 0 C--N 1.317 -0.827 0 C-N-CA 120.818 -0.353 . . . . 1.27 110.478 -175.706 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 6.2 t -58.39 -39.23 79.09 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.872 -0.604 . . . . 0.52 110.636 176.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -67.54 -33.61 75.4 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-N 116.091 -0.504 . . . . 1.91 111.198 177.172 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 568' ' ' ALA . . . . . 0.523 ' HB1' ' CA ' ' A' ' 545' ' ' GLY . . . -62.17 -46.05 90.68 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.206 -0.452 . . . . 0.28 110.764 -175.503 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 569' ' ' ALA . . . . . 0.494 ' HB2' ' HB2' ' A' ' 563' ' ' MET . . . -68.31 -47.23 68.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.19 111.584 -178.9 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 570' ' ' GLN . . . . . 0.571 ' O ' ' HG2' ' A' ' 574' ' ' GLN . 48.7 mt-30 -69.35 -45.65 68.91 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.139 -0.482 . . . . 1.21 111.588 -175.127 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -62.25 -44.14 97.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.341 -0.39 . . . . 0.31 111.431 -176.406 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 572' ' ' MET . . . . . 0.613 ' SD ' ' HE2' ' A' ' 563' ' ' MET . 14.0 ptp -63.37 -44.46 94.73 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.848 0.356 . . . . 0.62 110.463 -178.454 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 573' ' ' VAL . . . . . 0.635 HG13 ' HA ' ' A' ' 591' ' ' ARG . 70.0 t -67.27 -37.61 79.42 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.58 0 CA-C-N 116.313 -0.403 . . . . 0.21 111.762 -175.601 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 574' ' ' GLN . . . . . 0.571 ' HG2' ' O ' ' A' ' 570' ' ' GLN . 23.8 mm-40 -60.21 -35.84 76.32 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.401 -0.592 . . . . 1.9 109.401 178.02 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -67.7 -50.04 59.58 Favored 'General case' 0 C--O 1.217 -0.638 0 CA-C-N 115.736 -0.666 . . . . 0.52 110.607 172.421 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 576' ' ' TYR . . . . . 0.497 ' CB ' ' HB ' ' A' ' 590' ' ' ILE . 29.7 m-85 -74.14 -16.56 61.0 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 113.038 0.755 . . . . 0.34 113.038 -173.146 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -75.3 -30.3 60.33 Favored 'General case' 0 C--N 1.317 -0.806 0 O-C-N 121.905 -0.497 . . . . 1.84 110.546 174.74 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 -97.83 -39.31 9.08 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.117 0.484 . . . . 2.07 110.731 178.013 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 26.6 mtpp -128.65 82.47 68.59 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 115.674 -0.693 . . . . 2.07 109.932 176.845 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -70.49 160.16 50.45 Favored 'Trans proline' 0 CA--C 1.532 0.39 0 C-N-CA 123.599 2.866 . . . . 0.19 112.696 -176.178 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 581' ' ' ALA . . . . . 0.454 ' HB1' HD22 ' A' ' 540' ' ' LEU . . . -92.51 153.27 19.18 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.203 -0.453 . . . . 0.2 110.803 -173.685 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 67.2 mt -112.67 127.84 69.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 112.648 0.61 . . . . 0.54 112.648 -170.871 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 583' ' ' ILE . . . . . 0.495 HD12 HD11 ' A' ' 588' ' ' LEU . 17.9 mt -123.64 129.68 74.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.552 -0.749 . . . . 0.73 110.303 171.154 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 13.8 m120 59.11 33.84 23.05 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 116.032 -0.531 . . . . 1.46 111.093 177.785 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 76.82 8.83 86.65 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.885 -0.674 . . . . 0.67 112.906 179.646 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -117.36 130.87 56.79 Favored 'General case' 0 N--CA 1.441 -0.881 0 CA-C-O 120.859 0.362 . . . . 1.93 110.682 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -75.62 119.82 20.18 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.058 -0.519 . . . . 2.12 110.54 178.644 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 588' ' ' LEU . . . . . 0.495 HD11 HD12 ' A' ' 583' ' ' ILE . 52.6 mt -93.72 135.63 34.83 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.992 -0.549 . . . . 0.28 110.004 178.391 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 28.3 tp -84.73 108.91 17.67 Favored 'General case' 0 C--N 1.313 -1.006 0 N-CA-C 109.126 -0.694 . . . . 0.38 109.126 175.623 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 590' ' ' ILE . . . . . 0.497 ' HB ' ' CB ' ' A' ' 576' ' ' TYR . 44.5 mt -97.56 115.97 38.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 108.444 -0.947 . . . . 0.17 108.444 179.092 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 591' ' ' ARG . . . . . 0.635 ' HA ' HG13 ' A' ' 573' ' ' VAL . 20.1 ptt180 -140.89 160.36 40.23 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.862 0.69 . . . . 3.0 112.862 -172.823 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 592' ' ' MET . . . . . 0.578 ' HG2' HG11 ' A' ' 573' ' ' VAL . 0.1 OUTLIER -63.39 135.03 56.7 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.399 -0.818 . . . . 0.33 110.384 -175.275 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 15.7 t -88.25 128.39 35.47 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.92 0.39 . . . . 1.04 110.568 178.039 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 7.1 m -98.63 -20.94 16.71 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.895 -0.593 . . . . 1.6 109.701 175.191 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -74.45 -34.39 63.17 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 115.533 -0.758 . . . . 2.94 111.121 -177.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -120.49 134.1 55.32 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.992 0.425 . . . . 0.93 110.714 176.506 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -90.5 -39.87 12.33 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.75 -0.659 . . . . 3.4 109.309 173.577 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -147.44 149.86 33.52 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.031 -0.986 . . . . 2.02 109.21 178.705 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 599' ' ' LEU . . . . . 0.433 HD22 HD12 ' A' ' 551' ' ' ILE . 94.0 mt . . . . . 0 C--N 1.321 -0.637 0 CA-C-O 121.26 0.553 . . . . 1.02 110.334 179.677 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 76.6 t . . . . . 0 N--CA 1.447 -0.591 0 CA-C-O 121.026 0.441 . . . . 0.44 110.056 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 522' ' ' VAL . . . . . 0.442 HG22 ' HE3' ' A' ' 592' ' ' MET . 48.1 t -101.61 134.05 43.19 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.047 0 N-CA-C 109.136 -0.69 . . . . 0.25 109.136 177.138 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 3.7 p-80 -111.26 139.58 46.53 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 120.545 -0.462 . . . . 1.75 109.801 -178.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 524' ' ' ILE . . . . . 0.521 HD12 HG13 ' A' ' 537' ' ' VAL . 90.2 mt -115.59 127.84 73.03 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.976 0 CA-C-N 115.775 -0.648 . . . . 0.28 110.178 -179.817 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 6.3 p -115.9 175.27 5.61 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.716 -0.675 . . . . 1.28 110.366 -178.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 40.2 m-80 69.17 27.97 5.08 Favored 'General case' 0 N--CA 1.466 0.367 0 O-C-N 123.707 0.629 . . . . 1.22 110.796 -178.807 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 527' ' ' LEU . . . . . 0.409 HD21 HD13 ' A' ' 588' ' ' LEU . 80.4 mt -86.71 122.15 71.72 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 115.997 -0.547 . . . . 0.6 111.437 -177.083 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 528' ' ' PRO . . . . . 0.43 ' HD2' ' SG ' ' A' ' 532' ' ' CYS . 40.9 Cg_endo -69.38 130.75 20.37 Favored 'Trans proline' 0 N--CA 1.46 -0.481 0 C-N-CA 122.195 1.93 . . . . 0.62 112.093 173.543 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 529' ' ' GLU . . . . . 0.458 ' HG3' ' ND2' ' A' ' 557' ' ' ASN . 35.9 mt-10 -68.62 125.59 27.01 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.047 -0.524 . . . . 2.98 111.028 176.657 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 92.32 -18.37 54.61 Favored Glycine 0 N--CA 1.45 -0.415 0 CA-C-N 116.02 -0.536 . . . . 0.94 113.619 174.722 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 17.4 m -94.84 -35.34 12.11 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 117.42 0.61 . . . . 1.17 111.329 -177.2 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 532' ' ' CYS . . . . . 0.43 ' SG ' ' HD2' ' A' ' 528' ' ' PRO . 84.5 m -86.03 133.3 33.91 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.727 0.299 . . . . 0.77 110.827 179.026 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 44.0 p -105.66 170.54 7.83 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 109.844 -0.428 . . . . 0.54 109.844 176.749 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -56.41 -46.62 80.09 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.892 0.377 . . . . 1.32 110.457 179.385 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -59.8 -44.06 94.16 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.646 -0.706 . . . . 1.95 111.622 -176.629 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 536' ' ' ASP . . . . . 0.578 ' O ' ' HG ' ' A' ' 540' ' ' LEU . 39.8 m-20 -60.05 -47.61 85.13 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-O 120.789 0.328 . . . . 0.52 110.967 -176.17 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 537' ' ' VAL . . . . . 0.521 HG13 HD12 ' A' ' 524' ' ' ILE . 60.1 t -66.56 -45.01 89.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.677 -0.692 . . . . 0.25 110.857 -176.225 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 85.6 mt -65.29 -41.97 92.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.156 -0.475 . . . . 0.24 110.67 179.101 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 539' ' ' ASN . . . . . 0.538 ' O ' ' HD3' ' A' ' 543' ' ' PRO . 85.9 m-20 -62.57 -28.01 69.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.903 -0.59 . . . . 1.07 111.752 179.473 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 540' ' ' LEU . . . . . 0.578 ' HG ' ' O ' ' A' ' 536' ' ' ASP . 25.2 mt -68.31 -39.4 82.04 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 111.991 0.367 . . . . 0.36 111.991 -179.43 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -78.45 -35.13 33.88 Favored Glycine 0 N--CA 1.453 -0.197 0 C-N-CA 120.288 -0.958 . . . . 0.22 112.579 -177.253 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 542' ' ' LEU . . . . . . . . . . . . . 39.8 mt -50.36 -47.73 82.47 Favored Pre-proline 0 CA--C 1.548 0.882 0 N-CA-C 115.352 1.612 . . . . 0.25 115.352 -174.098 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 543' ' ' PRO . . . . . 0.538 ' HD3' ' O ' ' A' ' 539' ' ' ASN . 86.0 Cg_exo -51.11 -33.18 42.49 Favored 'Trans proline' 0 C--N 1.357 0.986 0 C-N-CA 122.463 2.109 . . . . 0.19 116.555 -168.671 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 59.4 m-85 -109.2 -18.27 13.66 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 118.878 0.763 . . . . 0.35 112.878 -179.164 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 545' ' ' GLY . . . . . 0.478 ' HA3' ' HE2' ' A' ' 572' ' ' MET . . . -125.04 -142.34 5.84 Favored Glycine 0 C--N 1.318 -0.443 0 C-N-CA 121.207 -0.52 . . . . 1.14 112.657 176.925 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 546' ' ' LYS . . . . . 0.423 ' O ' ' HA ' ' A' ' 563' ' ' MET . 56.0 tptt -152.77 129.85 11.12 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.624 -0.288 . . . . 1.56 110.475 174.106 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 95.4 t -91.61 135.01 28.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.978 -0.556 . . . . 0.25 111.706 -176.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 27.6 p -108.91 -41.03 4.85 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.954 -0.566 . . . . 0.37 112.289 175.468 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 66.5 m-80 -148.0 166.33 28.04 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.767 -0.457 . . . . 1.43 109.767 -177.156 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 28.1 p90 -148.44 150.82 34.15 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.935 0.398 . . . . 0.47 111.408 -179.053 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 551' ' ' ILE . . . . . 0.483 HD12 HD22 ' A' ' 599' ' ' LEU . 29.1 mt -134.23 121.85 38.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 108.784 -0.821 . . . . 0.37 108.784 171.053 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 552' ' ' LEU . . . . . . . . . . . . . 79.8 mt -112.95 110.38 20.41 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.226 -0.443 . . . . 0.45 111.396 -175.434 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 65.2 mtt -107.37 83.22 1.78 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.598 0.713 . . . . 1.18 109.105 175.901 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -69.97 -29.66 66.83 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.102 -0.954 . . . . 1.45 110.735 -177.409 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 67.8 p -59.4 -27.13 65.73 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.204 -0.453 . . . . 1.11 111.37 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 556' ' ' THR . . . . . 0.481 ' O ' ' HG2' ' A' ' 558' ' ' GLN . 69.9 p -106.65 11.63 30.19 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.471 -0.331 . . . . 0.88 111.129 178.81 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 557' ' ' ASN . . . . . 0.458 ' ND2' ' HG3' ' A' ' 529' ' ' GLU . 15.8 m120 57.04 41.34 27.66 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 115.743 -0.662 . . . . 2.35 110.898 -177.542 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 558' ' ' GLN . . . . . 0.481 ' HG2' ' O ' ' A' ' 556' ' ' THR . 12.5 mm100 -137.1 157.05 47.57 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.168 0.509 . . . . 2.07 111.625 -172.367 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -143.67 145.6 32.57 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.976 -0.556 . . . . 0.27 110.647 176.802 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 560' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -128.41 128.29 44.19 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.847 -0.615 . . . . 0.33 109.418 178.149 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 14.2 tp -126.33 128.49 47.17 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.34 -0.391 . . . . 0.22 110.278 -173.547 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 562' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -99.87 138.0 37.56 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-O 120.735 0.303 . . . . 1.85 110.435 -175.172 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 563' ' ' MET . . . . . 0.423 ' HA ' ' O ' ' A' ' 546' ' ' LYS . 19.8 mmt -114.24 144.33 43.39 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.963 -0.562 . . . . 0.96 111.261 -174.571 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -64.42 -26.75 68.59 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-N 115.139 -0.937 . . . . 0.36 111.735 -177.408 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 565' ' ' TYR . . . . . 0.447 ' HB3' ' OE2' ' A' ' 567' ' ' GLU . 75.0 m-85 -132.41 138.49 47.69 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.547 -0.752 . . . . 1.27 109.095 -177.87 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 566' ' ' THR . . . . . 0.56 ' O ' ' HG3' ' A' ' 570' ' ' GLN . 7.1 t -66.03 -37.48 85.98 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.042 -0.526 . . . . 0.52 109.785 179.066 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 567' ' ' GLU . . . . . 0.447 ' OE2' ' HB3' ' A' ' 565' ' ' TYR . 1.4 pm0 -66.88 -33.02 74.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.115 -0.493 . . . . 1.91 110.643 176.3 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 568' ' ' ALA . . . . . 0.411 ' HB2' ' HB2' ' A' ' 565' ' ' TYR . . . -64.03 -42.49 97.06 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.089 0.471 . . . . 0.28 109.886 176.703 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -67.44 -45.76 75.1 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.667 -0.697 . . . . 0.19 111.029 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 570' ' ' GLN . . . . . 0.56 ' HG3' ' O ' ' A' ' 566' ' ' THR . 72.0 mt-30 -65.29 -45.61 83.72 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.306 -0.406 . . . . 1.21 110.789 -178.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -62.3 -45.58 92.6 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-N 116.029 -0.532 . . . . 0.31 111.617 -176.041 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 572' ' ' MET . . . . . 0.478 ' HE2' ' HA3' ' A' ' 545' ' ' GLY . 17.7 ptp -63.42 -42.78 98.72 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.067 0.461 . . . . 0.62 109.996 -178.726 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 573' ' ' VAL . . . . . 0.721 HG13 ' HA ' ' A' ' 591' ' ' ARG . 54.0 t -66.57 -35.95 76.1 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.763 0 CA-C-N 115.607 -0.724 . . . . 0.21 111.294 -178.05 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 574' ' ' GLN . . . . . 0.541 ' HG3' ' O ' ' A' ' 570' ' ' GLN . 80.5 mt-30 -58.57 -37.98 76.89 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.557 -0.534 . . . . 1.9 109.557 177.872 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 575' ' ' TYR . . . . . 0.473 ' HD2' ' CD2' ' A' ' 576' ' ' TYR . 89.7 t80 -69.55 -50.24 46.74 Favored 'General case' 0 C--O 1.221 -0.439 0 CA-C-N 116.051 -0.522 . . . . 0.52 111.201 173.462 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 576' ' ' TYR . . . . . 0.54 ' CB ' ' HB ' ' A' ' 590' ' ' ILE . 21.5 m-85 -73.67 -17.38 61.15 Favored 'General case' 0 N--CA 1.467 0.375 0 N-CA-C 112.729 0.64 . . . . 0.34 112.729 -171.692 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -77.23 -29.85 54.28 Favored 'General case' 0 C--N 1.318 -0.764 0 C-N-CA 120.577 -0.449 . . . . 1.84 110.913 174.506 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -96.76 -39.21 9.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.933 0.397 . . . . 2.07 111.094 179.282 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -130.47 78.06 74.85 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-N 115.925 -0.579 . . . . 2.07 109.862 178.695 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_exo -69.83 160.45 49.65 Favored 'Trans proline' 0 CA--C 1.532 0.399 0 C-N-CA 123.886 3.057 . . . . 0.19 113.249 -172.809 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 581' ' ' ALA . . . . . 0.477 ' HB1' HD22 ' A' ' 540' ' ' LEU . . . -93.27 153.3 18.66 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.819 -0.628 . . . . 0.2 111.064 -173.786 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 582' ' ' ILE . . . . . 0.444 HG12 ' HG2' ' A' ' 587' ' ' LYS . 57.2 mt -114.5 132.76 62.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.058 0.456 . . . . 0.54 112.223 -171.546 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 583' ' ' ILE . . . . . 0.415 HD12 HD11 ' A' ' 588' ' ' LEU . 30.5 mt -126.27 120.66 57.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 115.919 -0.582 . . . . 0.73 110.262 172.545 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 59.29 35.13 23.24 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 116.125 -0.489 . . . . 1.46 111.302 177.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 83.13 3.34 90.34 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.802 -0.714 . . . . 0.67 113.027 178.151 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -107.47 127.01 53.22 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.922 0.391 . . . . 1.93 110.44 179.614 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 587' ' ' LYS . . . . . 0.444 ' HG2' HG12 ' A' ' 582' ' ' ILE . 52.9 mtmt -81.32 107.58 14.22 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.9 -0.591 . . . . 2.12 109.897 -179.018 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 588' ' ' LEU . . . . . 0.415 HD11 HD12 ' A' ' 583' ' ' ILE . 65.5 mt -86.89 129.98 34.65 Favored 'General case' 0 CA--C 1.507 -0.709 0 CA-C-N 115.887 -0.597 . . . . 0.28 110.594 -177.586 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 39.8 tp -83.5 109.14 17.13 Favored 'General case' 0 C--N 1.311 -1.072 0 N-CA-C 109.024 -0.732 . . . . 0.38 109.024 174.03 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 590' ' ' ILE . . . . . 0.54 ' HB ' ' CB ' ' A' ' 576' ' ' TYR . 44.9 mt -96.74 115.09 35.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 107.894 -1.15 . . . . 0.17 107.894 177.519 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 591' ' ' ARG . . . . . 0.721 ' HA ' HG13 ' A' ' 573' ' ' VAL . 8.1 ptp180 -146.02 165.69 28.28 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 112.668 0.618 . . . . 3.0 112.668 -174.592 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 592' ' ' MET . . . . . 0.599 ' HG2' HG11 ' A' ' 573' ' ' VAL . 0.1 OUTLIER -62.53 140.83 58.64 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.176 -0.92 . . . . 0.33 110.42 -175.555 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 86.0 p -83.26 128.88 34.87 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.641 -0.424 . . . . 1.04 110.086 176.114 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 6.8 p -95.56 31.89 1.92 Allowed 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.278 0.561 . . . . 1.6 110.095 175.018 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -137.47 -40.65 0.57 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.565 -0.743 . . . . 2.94 110.957 -176.298 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 83.3 m-85 -110.16 135.22 51.29 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.963 0.411 . . . . 0.93 111.521 -173.76 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 18.2 tppt? -90.3 -40.9 11.85 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.045 -0.724 . . . . 3.4 109.045 169.501 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -152.41 156.09 38.83 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.216 -0.902 . . . . 2.02 109.471 178.094 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 599' ' ' LEU . . . . . 0.483 HD22 HD12 ' A' ' 551' ' ' ILE . 97.1 mt . . . . . 0 C--N 1.323 -0.568 0 CA-C-O 121.196 0.522 . . . . 1.02 110.588 -178.387 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 521' ' ' VAL . . . . . 0.487 HG22 ' HG ' ' A' ' 599' ' ' LEU . 59.5 t . . . . . 0 N--CA 1.449 -0.508 0 CA-C-O 121.516 0.674 . . . . 0.44 111.814 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 522' ' ' VAL . . . . . 0.446 HG22 ' HE3' ' A' ' 592' ' ' MET . 93.4 t -105.19 134.14 47.47 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-N 115.099 -0.955 . . . . 0.25 109.414 172.857 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 7.2 p-80 -106.67 136.13 47.01 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.614 -0.513 . . . . 1.75 109.614 179.355 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 524' ' ' ILE . . . . . 0.532 HD12 HG13 ' A' ' 537' ' ' VAL . 77.6 mt -109.65 127.68 66.27 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.987 0 CA-C-N 116.131 -0.486 . . . . 0.28 109.976 178.525 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 8.3 p -120.73 171.65 8.44 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.715 -0.675 . . . . 1.28 110.906 -175.089 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 67.79 33.94 4.59 Favored 'General case' 0 N--CA 1.464 0.239 0 O-C-N 123.915 0.759 . . . . 1.22 110.277 -177.831 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 84.0 mt -88.01 120.36 70.7 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-N 115.871 -0.604 . . . . 0.6 111.301 -176.629 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 528' ' ' PRO . . . . . 0.512 ' HD2' ' SG ' ' A' ' 532' ' ' CYS . 35.8 Cg_endo -68.58 131.96 24.18 Favored 'Trans proline' 0 C--O 1.237 0.462 0 C-N-CA 122.361 2.041 . . . . 0.62 111.97 172.877 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -68.86 131.0 44.41 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.003 -0.544 . . . . 2.98 111.295 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 83.78 -18.7 19.2 Favored Glycine 0 N--CA 1.45 -0.392 0 CA-C-N 116.084 -0.507 . . . . 0.94 113.41 175.713 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 531' ' ' SER . . . . . 0.405 ' HB3' ' ND2' ' A' ' 584' ' ' ASN . 12.9 m -92.14 -36.21 13.43 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.99 0.395 . . . . 1.17 110.907 -178.459 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 532' ' ' CYS . . . . . 0.512 ' SG ' ' HD2' ' A' ' 528' ' ' PRO . 67.0 m -86.31 129.55 34.81 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.309 -0.405 . . . . 0.77 110.358 178.485 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 29.5 p -104.19 167.32 9.83 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.744 -0.465 . . . . 0.54 109.744 -178.569 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -59.76 -44.4 93.87 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.558 -0.534 . . . . 1.32 109.558 178.274 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 49.5 m-80 -61.86 -44.19 97.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.427 -0.806 . . . . 1.95 111.623 -177.164 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 536' ' ' ASP . . . . . 0.54 ' O ' ' HG ' ' A' ' 540' ' ' LEU . 34.4 m-20 -66.72 -44.62 81.13 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 120.56 0.219 . . . . 0.52 111.506 -175.45 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 537' ' ' VAL . . . . . 0.532 HG13 HD12 ' A' ' 524' ' ' ILE . 94.7 t -61.68 -41.92 92.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.002 0.429 . . . . 0.25 110.394 -178.131 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 86.1 mt -67.3 -40.95 85.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.89 -0.596 . . . . 0.24 110.659 177.061 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 539' ' ' ASN . . . . . 0.505 ' O ' ' HD3' ' A' ' 543' ' ' PRO . 71.5 m-20 -61.96 -30.56 71.01 Favored 'General case' 0 C--O 1.224 -0.251 0 CA-C-N 115.929 -0.578 . . . . 1.07 111.884 -178.093 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 540' ' ' LEU . . . . . 0.54 ' HG ' ' O ' ' A' ' 536' ' ' ASP . 41.3 mt -69.42 -39.04 78.13 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 111.667 0.247 . . . . 0.36 111.667 -176.844 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -76.37 -36.8 38.08 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.475 -0.869 . . . . 0.22 112.425 -177.662 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 542' ' ' LEU . . . . . 0.525 ' HA ' ' O ' ' A' ' 545' ' ' GLY . 82.3 mt -48.04 -47.32 65.12 Favored Pre-proline 0 CA--C 1.545 0.776 0 N-CA-C 114.92 1.452 . . . . 0.25 114.92 -173.584 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 543' ' ' PRO . . . . . 0.505 ' HD3' ' O ' ' A' ' 539' ' ' ASN . 65.1 Cg_exo -49.08 -34.71 30.79 Favored 'Trans proline' 0 C--N 1.357 0.995 0 C-N-CA 122.346 2.03 . . . . 0.19 115.579 -171.653 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 544' ' ' PHE . . . . . 0.457 ' HB2' ' CB ' ' A' ' 572' ' ' MET . 87.0 m-85 -110.43 -17.52 13.44 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.141 -0.624 . . . . 0.35 112.677 178.43 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 545' ' ' GLY . . . . . 0.525 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . -149.84 138.96 7.07 Favored Glycine 0 C--O 1.226 -0.401 0 C-N-CA 120.754 -0.736 . . . . 1.14 112.984 177.086 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 546' ' ' LYS . . . . . 0.477 ' O ' ' HA ' ' A' ' 563' ' ' MET . 23.3 tptm -77.17 143.83 38.8 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.85 0.357 . . . . 1.56 111.379 -178.645 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 547' ' ' VAL . . . . . 0.567 ' HA ' ' O ' ' A' ' 562' ' ' GLU . 99.5 t -98.71 136.31 30.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.407 -0.815 . . . . 0.25 110.646 179.116 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 47.5 p -102.89 -38.21 7.49 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.016 0.436 . . . . 0.37 110.56 178.65 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -159.72 167.66 27.79 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 108.968 -0.752 . . . . 1.43 108.968 178.376 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 39.4 p90 -142.53 151.61 41.79 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.679 -0.408 . . . . 0.47 111.569 -178.352 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 551' ' ' ILE . . . . . 0.467 HD12 HD22 ' A' ' 599' ' ' LEU . 54.9 mt -127.3 122.73 60.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 108.999 -0.741 . . . . 0.37 108.999 173.067 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 552' ' ' LEU . . . . . . . . . . . . . 41.7 mt -112.05 111.65 22.72 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 116.128 -0.487 . . . . 0.45 111.43 -175.805 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 67.0 mtt -108.52 86.21 2.25 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.505 0.669 . . . . 1.18 110.187 177.306 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -67.31 -30.19 69.97 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.155 -0.93 . . . . 1.45 110.308 -179.306 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 59.5 p -63.57 -27.44 69.25 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.66 -0.7 . . . . 1.11 111.907 -179.581 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 76.0 p -104.21 8.53 36.21 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.836 -0.346 . . . . 0.88 111.057 178.635 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 12.3 m120 57.24 42.21 25.66 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 115.747 -0.66 . . . . 2.35 110.889 -179.287 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -142.31 153.81 44.17 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.888 0.375 . . . . 2.07 110.977 -174.217 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -130.49 142.97 50.48 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.108 -0.496 . . . . 0.27 110.125 176.074 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 560' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -126.87 128.37 46.4 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.916 0.388 . . . . 0.33 109.991 -179.091 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 561' ' ' LEU . . . . . 0.546 ' HB3' ' HE1' ' A' ' 563' ' ' MET . 15.2 tp -125.51 134.85 51.87 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.869 -0.605 . . . . 0.22 109.888 -173.055 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 562' ' ' GLU . . . . . 0.577 ' HB2' HD12 ' A' ' 599' ' ' LEU . 10.7 tp10 -101.01 137.87 38.82 Favored 'General case' 0 N--CA 1.465 0.298 0 O-C-N 123.077 0.235 . . . . 1.85 111.026 -176.207 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 563' ' ' MET . . . . . 0.551 ' HE2' ' SD ' ' A' ' 572' ' ' MET . 0.8 OUTLIER -113.82 139.35 49.22 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.943 0.877 . . . . 0.96 111.998 -175.916 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -62.7 -31.84 72.82 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-N 114.295 -1.321 . . . . 0.36 112.691 -173.582 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -130.18 154.63 47.34 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.423 -0.353 . . . . 1.27 110.106 -179.142 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 9.3 t -61.98 -37.11 83.57 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.131 0.491 . . . . 0.52 110.251 176.641 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -66.57 -34.55 78.16 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.773 -0.649 . . . . 1.91 110.687 177.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 568' ' ' ALA . . . . . 0.47 ' HB1' ' CA ' ' A' ' 545' ' ' GLY . . . -62.4 -46.11 90.09 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.905 -0.588 . . . . 0.28 110.858 -178.065 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 569' ' ' ALA . . . . . 0.43 ' HB2' ' HB2' ' A' ' 563' ' ' MET . . . -68.28 -47.28 68.11 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.951 -0.568 . . . . 0.19 111.647 -178.216 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 570' ' ' GLN . . . . . 0.554 ' O ' ' HG3' ' A' ' 574' ' ' GLN . 48.3 mt-30 -69.76 -46.28 66.17 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.3 -0.409 . . . . 1.21 111.516 -176.144 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -62.0 -41.11 97.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.353 -0.385 . . . . 0.31 111.548 -174.79 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 572' ' ' MET . . . . . 0.551 ' SD ' ' HE2' ' A' ' 563' ' ' MET . 15.4 ptp -66.43 -46.24 77.13 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.836 -0.345 . . . . 0.62 110.808 -177.214 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 573' ' ' VAL . . . . . 0.582 HG11 ' HG2' ' A' ' 592' ' ' MET . 90.5 t -66.81 -36.9 78.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.337 -0.392 . . . . 0.21 111.412 -175.047 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 574' ' ' GLN . . . . . 0.554 ' HG3' ' O ' ' A' ' 570' ' ' GLN . 78.6 mt-30 -59.42 -37.32 77.74 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.653 -0.499 . . . . 1.9 109.653 178.128 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 72.5 t80 -69.78 -49.89 48.51 Favored 'General case' 0 C--O 1.222 -0.395 0 CA-C-N 116.062 -0.517 . . . . 0.52 110.955 172.615 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 576' ' ' TYR . . . . . 0.496 ' CE1' ' HB2' ' A' ' 572' ' ' MET . 21.2 m-85 -71.99 -16.54 62.07 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 112.691 0.626 . . . . 0.34 112.691 -172.652 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -76.68 -30.8 56.89 Favored 'General case' 0 C--N 1.318 -0.797 0 C-N-CA 120.562 -0.455 . . . . 1.84 110.438 174.259 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -95.86 -39.73 9.67 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.007 -0.542 . . . . 2.07 110.669 -178.583 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -129.97 78.78 74.33 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 115.74 -0.664 . . . . 2.07 109.554 176.234 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -68.16 159.63 52.31 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 123.381 2.721 . . . . 0.19 112.596 -174.524 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 581' ' ' ALA . . . . . 0.454 ' HB1' HD22 ' A' ' 540' ' ' LEU . . . -91.88 152.88 19.88 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.007 -0.542 . . . . 0.2 110.487 -173.217 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 582' ' ' ILE . . . . . 0.46 HG12 ' HG2' ' A' ' 587' ' ' LYS . 57.2 mt -114.55 127.81 71.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 121.143 0.497 . . . . 0.54 112.334 -169.603 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 583' ' ' ILE . . . . . 0.435 HD12 HD11 ' A' ' 588' ' ' LEU . 36.9 mt -122.45 124.99 72.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.739 -0.664 . . . . 0.73 109.938 171.312 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 584' ' ' ASN . . . . . 0.405 ' ND2' ' HB3' ' A' ' 531' ' ' SER . 4.8 m-20 59.3 33.91 22.73 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.213 -0.449 . . . . 1.46 111.562 178.791 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 80.74 3.9 90.33 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.988 -0.625 . . . . 0.67 112.456 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -106.84 127.45 53.42 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.87 0.367 . . . . 1.93 110.774 -178.813 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 587' ' ' LYS . . . . . 0.46 ' HG2' HG12 ' A' ' 582' ' ' ILE . 30.4 mtpp -80.35 109.6 15.0 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.183 -0.462 . . . . 2.12 109.989 179.331 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 588' ' ' LEU . . . . . 0.435 HD11 HD12 ' A' ' 583' ' ' ILE . 69.4 mt -86.14 127.45 34.71 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.926 -0.579 . . . . 0.28 110.301 179.604 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 589' ' ' LEU . . . . . 0.434 ' HG ' ' HG3' ' A' ' 591' ' ' ARG . 26.4 tp -83.6 109.31 17.31 Favored 'General case' 0 N--CA 1.438 -1.052 0 N-CA-C 108.714 -0.847 . . . . 0.38 108.714 176.209 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 590' ' ' ILE . . . . . 0.412 ' O ' HG13 ' A' ' 573' ' ' VAL . 52.5 mt -95.36 116.6 37.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 108.519 -0.919 . . . . 0.17 108.519 -179.823 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 591' ' ' ARG . . . . . 0.434 ' HG3' ' HG ' ' A' ' 589' ' ' LEU . 29.1 mtp85 -129.78 157.69 41.48 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 113.014 0.746 . . . . 3.0 113.014 -170.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 592' ' ' MET . . . . . 0.582 ' HG2' HG11 ' A' ' 573' ' ' VAL . 0.1 OUTLIER -66.63 135.39 54.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.278 -0.873 . . . . 0.33 110.02 179.283 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 43.2 t -87.63 126.14 34.78 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.932 -0.307 . . . . 1.04 110.269 176.727 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 12.6 t -99.53 -15.36 18.67 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.149 0.5 . . . . 1.6 109.78 172.357 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 70.5 mtp180 -76.82 -39.14 52.39 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.823 -0.626 . . . . 2.94 110.643 -179.274 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -110.29 132.93 53.74 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.933 -0.395 . . . . 0.93 109.933 177.627 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -91.69 -26.04 18.83 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.148 -0.478 . . . . 3.4 109.745 172.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -159.98 143.65 14.21 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 108.806 -0.813 . . . . 2.02 108.806 -174.67 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 599' ' ' LEU . . . . . 0.577 HD12 ' HB2' ' A' ' 562' ' ' GLU . 42.8 mt . . . . . 0 C--N 1.322 -0.6 0 N-CA-C 109.86 -0.422 . . . . 1.02 109.86 175.532 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 521' ' ' VAL . . . . . 0.425 HG23 ' HA ' ' A' ' 598' ' ' GLU . 90.2 t . . . . . 0 N--CA 1.451 -0.403 0 CA-C-O 121.735 0.779 . . . . 0.44 111.999 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 522' ' ' VAL . . . . . . . . . . . . . 88.0 t -104.63 136.47 38.02 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 114.496 -1.229 . . . . 0.25 109.048 171.695 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 4.6 p-80 -104.26 137.51 42.07 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.594 -0.521 . . . . 1.75 109.594 -177.652 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 524' ' ' ILE . . . . . 0.51 HD12 HG13 ' A' ' 537' ' ' VAL . 78.9 mt -117.11 126.96 74.77 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.898 0 CA-C-N 115.913 -0.585 . . . . 0.28 109.976 178.768 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 525' ' ' CYS . . . . . 0.404 ' SG ' ' HB3' ' A' ' 589' ' ' LEU . 7.7 p -122.25 174.84 6.73 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.637 -0.71 . . . . 1.28 110.79 -174.728 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 66.08 26.8 10.68 Favored 'General case' 0 N--CA 1.466 0.355 0 O-C-N 123.679 0.612 . . . . 1.22 110.879 -178.669 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 81.0 mt -78.2 121.28 83.68 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 116.086 -0.506 . . . . 0.6 111.166 -176.754 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 528' ' ' PRO . . . . . 0.4 ' HG2' ' HB2' ' A' ' 531' ' ' SER . 29.8 Cg_endo -67.41 131.37 24.59 Favored 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 121.998 1.798 . . . . 0.62 111.873 176.473 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -69.13 132.13 46.08 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.567 -0.742 . . . . 2.98 111.434 -179.069 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 80.37 -18.54 8.22 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 121.186 -0.531 . . . . 0.94 113.273 176.992 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 531' ' ' SER . . . . . 0.4 ' HB2' ' HG2' ' A' ' 528' ' ' PRO . 3.8 m -86.88 -34.54 19.4 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.018 0.437 . . . . 1.17 110.689 -178.693 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 35.5 m -85.81 130.0 34.67 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.93 -0.577 . . . . 0.77 111.364 -176.057 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 69.2 p -105.93 170.73 7.73 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.906 -0.776 . . . . 0.54 108.906 171.862 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -56.17 -43.73 78.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.022 0.439 . . . . 1.32 110.187 179.73 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -59.51 -43.59 93.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.413 -0.812 . . . . 1.95 112.174 -176.546 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 536' ' ' ASP . . . . . 0.72 ' O ' ' HG ' ' A' ' 540' ' ' LEU . 42.3 m-20 -61.55 -48.12 82.44 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-O 120.884 0.373 . . . . 0.52 110.917 -174.998 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 537' ' ' VAL . . . . . 0.51 HG13 HD12 ' A' ' 524' ' ' ILE . 80.0 t -63.91 -43.99 97.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.8 -0.636 . . . . 0.25 110.827 -176.329 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 87.9 mt -67.04 -46.04 85.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.142 0.496 . . . . 0.24 110.673 179.222 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 539' ' ' ASN . . . . . 0.513 ' O ' ' HD3' ' A' ' 543' ' ' PRO . 6.2 m-20 -63.28 -27.01 69.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.582 -0.735 . . . . 1.07 112.519 -177.22 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 540' ' ' LEU . . . . . 0.72 ' HG ' ' O ' ' A' ' 536' ' ' ASP . 46.0 mt -71.19 -39.16 71.97 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.936 -0.305 . . . . 0.36 111.648 178.993 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -79.46 -35.42 29.39 Favored Glycine 0 CA--C 1.516 0.149 0 C-N-CA 120.496 -0.859 . . . . 0.22 112.352 -178.255 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 542' ' ' LEU . . . . . 0.464 ' HA ' ' O ' ' A' ' 545' ' ' GLY . 29.3 mt -47.89 -46.84 63.87 Favored Pre-proline 0 CA--C 1.544 0.72 0 N-CA-C 115.184 1.549 . . . . 0.25 115.184 -175.899 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 543' ' ' PRO . . . . . 0.513 ' HD3' ' O ' ' A' ' 539' ' ' ASN . 64.1 Cg_exo -49.09 -34.09 28.98 Favored 'Trans proline' 0 C--N 1.357 0.993 0 C-N-CA 122.323 2.015 . . . . 0.19 115.632 -171.219 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -110.0 -17.52 13.58 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.9 0.704 . . . . 0.35 112.9 179.888 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 545' ' ' GLY . . . . . 0.464 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . -149.53 143.39 10.76 Favored Glycine 0 CA--C 1.519 0.308 0 C-N-CA 120.921 -0.657 . . . . 1.14 112.537 176.193 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 24.0 tptm -76.32 137.77 40.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.258 0.551 . . . . 1.56 111.458 -177.603 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 91.1 t -97.24 137.68 24.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.203 -0.908 . . . . 0.25 110.796 179.639 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 548' ' ' THR . . . . . 0.466 ' OG1' ' HG3' ' A' ' 562' ' ' GLU . 54.9 p -107.98 -39.69 5.45 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.824 0.345 . . . . 0.37 111.089 176.247 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 33.3 m-80 -146.88 166.93 25.23 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 110.221 -0.288 . . . . 1.43 110.221 -173.35 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 52.6 p90 -149.92 150.65 32.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.98 0.419 . . . . 0.47 111.442 178.019 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 551' ' ' ILE . . . . . 0.42 ' CD1' HD22 ' A' ' 599' ' ' LEU . 25.7 mt -128.66 123.2 58.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 108.617 -0.883 . . . . 0.37 108.617 170.45 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 552' ' ' LEU . . . . . . . . . . . . . 86.8 mt -111.98 113.2 25.36 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.409 -0.36 . . . . 0.45 111.522 -175.234 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 26.2 mmt -108.11 84.94 2.03 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.409 -0.589 . . . . 1.18 109.409 173.414 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -68.51 -32.63 72.73 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.466 -0.788 . . . . 1.45 111.379 -175.129 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 64.2 p -65.48 -22.73 66.77 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.176 -0.465 . . . . 1.11 111.706 -178.464 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 556' ' ' THR . . . . . 0.496 ' O ' ' HG2' ' A' ' 558' ' ' GLN . 69.2 p -107.59 4.91 26.47 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.529 -0.305 . . . . 0.88 111.499 -179.884 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 16.3 m120 56.72 41.93 27.55 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 115.826 -0.625 . . . . 2.35 111.088 -177.629 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 558' ' ' GLN . . . . . 0.496 ' HG2' ' O ' ' A' ' 556' ' ' THR . 20.8 mm-40 -139.76 148.57 42.44 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.313 -0.403 . . . . 2.07 110.275 -175.147 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -140.31 145.36 37.12 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.997 0.427 . . . . 0.27 110.855 179.144 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 560' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -122.06 126.14 47.8 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.547 -0.751 . . . . 0.33 109.181 178.06 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 561' ' ' LEU . . . . . 0.491 ' HB3' ' HE1' ' A' ' 563' ' ' MET . 15.5 tp -121.13 132.82 55.09 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 116.1 -0.5 . . . . 0.22 109.681 -173.479 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 562' ' ' GLU . . . . . 0.467 ' HB2' HD12 ' A' ' 599' ' ' LEU . 10.7 tp10 -101.82 134.48 44.92 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.825 0.345 . . . . 1.85 111.07 -174.932 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 563' ' ' MET . . . . . 0.598 ' HE2' ' SD ' ' A' ' 572' ' ' MET . 0.4 OUTLIER -112.47 144.84 41.25 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.704 0.764 . . . . 0.96 111.498 -174.779 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -65.36 -28.6 69.39 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 114.751 -1.113 . . . . 0.36 112.171 -175.703 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 34.6 m-85 -136.59 146.35 45.98 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.902 -0.407 . . . . 1.27 109.902 -175.022 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 5.7 t -61.05 -38.59 86.71 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.166 -0.47 . . . . 0.52 110.167 176.5 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -66.47 -36.0 81.66 Favored 'General case' 0 C--O 1.226 -0.153 0 CA-C-N 116.189 -0.46 . . . . 1.91 110.805 177.891 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 568' ' ' ALA . . . . . . . . . . . . . . . -63.09 -45.9 89.89 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.273 -0.421 . . . . 0.28 110.76 179.569 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 569' ' ' ALA . . . . . 0.464 ' O ' ' HG2' ' A' ' 572' ' ' MET . . . -67.73 -46.89 70.85 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.881 -0.6 . . . . 0.19 111.625 -177.302 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 570' ' ' GLN . . . . . 0.595 ' O ' ' HG2' ' A' ' 574' ' ' GLN . 10.8 pt20 -69.08 -44.18 73.08 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.306 -0.406 . . . . 1.21 111.133 -176.722 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -62.15 -40.71 96.89 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.386 -0.37 . . . . 0.31 111.526 -177.438 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 572' ' ' MET . . . . . 0.598 ' SD ' ' HE2' ' A' ' 563' ' ' MET . 13.1 ptp -65.83 -44.44 85.56 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 110.026 -0.361 . . . . 0.62 110.026 -179.55 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 573' ' ' VAL . . . . . 0.689 HG13 ' HA ' ' A' ' 591' ' ' ARG . 78.7 t -66.49 -36.3 76.98 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.603 0 CA-C-N 116.098 -0.501 . . . . 0.21 111.123 -177.74 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 574' ' ' GLN . . . . . 0.595 ' HG2' ' O ' ' A' ' 570' ' ' GLN . 29.5 mm-40 -58.23 -38.15 76.28 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.596 -0.52 . . . . 1.9 109.596 177.653 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -69.65 -50.39 44.58 Favored 'General case' 0 C--O 1.219 -0.528 0 CA-C-N 116.121 -0.49 . . . . 0.52 111.053 173.605 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 576' ' ' TYR . . . . . 0.419 ' CB ' ' HB ' ' A' ' 590' ' ' ILE . 20.8 m-85 -72.2 -16.62 61.95 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 112.771 0.656 . . . . 0.34 112.771 -172.389 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -71.82 -34.3 69.22 Favored 'General case' 0 C--N 1.318 -0.778 0 C-N-CA 120.727 -0.389 . . . . 1.84 110.673 173.24 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -96.92 -39.67 9.27 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.103 0.478 . . . . 2.07 110.835 179.696 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -126.48 79.77 70.47 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 115.647 -0.706 . . . . 2.07 110.017 177.838 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -70.15 161.35 46.33 Favored 'Trans proline' 0 C--O 1.235 0.327 0 C-N-CA 123.726 2.951 . . . . 0.19 112.483 -176.238 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 581' ' ' ALA . . . . . 0.47 ' HB1' HD22 ' A' ' 540' ' ' LEU . . . -92.27 152.69 19.69 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.199 -0.455 . . . . 0.2 110.522 -175.76 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 66.7 mt -120.55 133.99 65.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-O 120.94 0.4 . . . . 0.54 112.026 -170.537 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 583' ' ' ILE . . . . . 0.548 HD12 HD11 ' A' ' 588' ' ' LEU . 39.8 mt -121.53 116.36 49.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.961 -0.563 . . . . 0.73 110.168 171.51 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 58.44 39.27 25.32 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 116.093 -0.503 . . . . 1.46 111.789 175.847 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 84.57 0.87 89.32 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.983 -0.627 . . . . 0.67 112.885 178.076 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -105.07 126.74 52.4 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.856 0.36 . . . . 1.93 110.389 179.823 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 60.3 mtpt -83.49 113.4 20.76 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.977 -0.556 . . . . 2.12 110.366 -178.838 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 588' ' ' LEU . . . . . 0.548 HD11 HD12 ' A' ' 583' ' ' ILE . 54.3 mt -87.38 127.4 35.21 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.993 -0.549 . . . . 0.28 109.863 177.929 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 589' ' ' LEU . . . . . 0.404 ' HB3' ' SG ' ' A' ' 525' ' ' CYS . 37.8 tp -83.69 107.93 16.44 Favored 'General case' 0 C--N 1.309 -1.17 0 N-CA-C 108.655 -0.869 . . . . 0.38 108.655 173.725 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 590' ' ' ILE . . . . . 0.419 ' HB ' ' CB ' ' A' ' 576' ' ' TYR . 40.8 mt -96.43 115.59 36.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 108.432 -0.951 . . . . 0.17 108.432 177.056 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 591' ' ' ARG . . . . . 0.689 ' HA ' HG13 ' A' ' 573' ' ' VAL . 73.7 mtt180 -139.04 165.04 28.18 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.324 0.49 . . . . 3.0 112.324 -173.787 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 592' ' ' MET . . . . . 0.602 ' HG2' HG11 ' A' ' 573' ' ' VAL . 0.1 OUTLIER -62.95 134.71 56.61 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.623 -0.717 . . . . 0.33 109.43 -178.629 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 23.0 t -81.8 130.78 35.18 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.047 0.451 . . . . 1.04 110.759 -176.482 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 22.2 p -99.12 -25.14 14.63 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.521 -0.763 . . . . 1.6 110.304 175.145 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 81.8 mtp180 -74.52 -39.53 62.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.386 -0.825 . . . . 2.94 110.801 -179.574 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 66.3 m-85 -124.25 133.63 53.45 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.333 -0.394 . . . . 0.93 110.308 177.273 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -91.27 -39.63 11.97 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.866 -0.606 . . . . 3.4 109.524 174.568 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 598' ' ' GLU . . . . . 0.425 ' HA ' HG23 ' A' ' 521' ' ' VAL . 8.7 pt-20 -148.71 144.62 27.22 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.938 -1.028 . . . . 2.02 109.589 -179.17 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 599' ' ' LEU . . . . . 0.467 HD12 ' HB2' ' A' ' 562' ' ' GLU . 42.9 mt . . . . . 0 C--N 1.323 -0.544 0 CA-C-O 121.348 0.594 . . . . 1.02 110.266 178.02 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 74.5 t . . . . . 0 N--CA 1.448 -0.552 0 CA-C-O 121.182 0.515 . . . . 0.44 109.635 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 522' ' ' VAL . . . . . 0.467 HG21 ' SD ' ' A' ' 572' ' ' MET . 61.0 t -103.45 133.25 47.85 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.982 0 CA-C-N 115.755 -0.657 . . . . 0.25 109.424 177.202 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 5.8 p-80 -109.38 139.43 44.35 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.144 0.497 . . . . 1.75 110.007 -177.95 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 524' ' ' ILE . . . . . 0.467 HD12 HG13 ' A' ' 537' ' ' VAL . 78.2 mt -115.98 129.78 71.77 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.881 0 CA-C-N 115.673 -0.694 . . . . 0.28 110.172 179.231 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 16.4 p -120.56 175.02 6.2 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.889 -0.596 . . . . 1.28 110.5 -176.909 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 67.87 29.07 6.81 Favored 'General case' 0 N--CA 1.466 0.341 0 O-C-N 123.567 0.542 . . . . 1.22 110.361 179.147 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 79.8 mt -82.57 122.34 78.61 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 115.603 -0.726 . . . . 0.6 111.082 -175.917 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 528' ' ' PRO . . . . . 0.506 ' HD2' ' SG ' ' A' ' 532' ' ' CYS . 38.1 Cg_endo -69.01 129.53 18.57 Favored 'Trans proline' 0 N--CA 1.459 -0.539 0 C-N-CA 121.379 1.386 . . . . 0.62 111.025 174.093 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -70.4 125.73 27.62 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.972 -0.558 . . . . 2.98 111.701 -177.333 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 84.95 -18.4 26.99 Favored Glycine 0 N--CA 1.45 -0.405 0 CA-C-N 115.887 -0.597 . . . . 0.94 112.994 177.393 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 50.9 m -86.15 -34.46 20.57 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.805 0.336 . . . . 1.17 111.318 -176.699 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 532' ' ' CYS . . . . . 0.506 ' SG ' ' HD2' ' A' ' 528' ' ' PRO . 57.2 m -85.34 149.31 25.54 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.365 -0.379 . . . . 0.77 110.212 179.372 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 533' ' ' THR . . . . . 0.434 ' O ' HG23 ' A' ' 537' ' ' VAL . 30.1 p -106.46 165.92 10.92 Favored 'General case' 0 C--N 1.319 -0.761 0 N-CA-C 109.125 -0.695 . . . . 0.54 109.125 173.932 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -62.63 -45.28 93.56 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.05 -0.722 . . . . 1.32 109.05 176.744 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -62.41 -43.57 98.5 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.096 -0.956 . . . . 1.95 111.793 -177.016 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 536' ' ' ASP . . . . . 0.686 ' O ' ' HG ' ' A' ' 540' ' ' LEU . 8.8 m-20 -61.15 -45.85 92.97 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 120.908 -0.317 . . . . 0.52 111.45 -179.069 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 537' ' ' VAL . . . . . 0.467 HG13 HD12 ' A' ' 524' ' ' ILE . 70.9 t -61.66 -42.05 92.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.101 0.477 . . . . 0.25 110.508 -178.986 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 86.3 mt -67.13 -45.83 85.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.768 -0.651 . . . . 0.24 110.743 177.301 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 539' ' ' ASN . . . . . 0.534 ' O ' ' HD3' ' A' ' 543' ' ' PRO . 79.0 m-20 -61.79 -27.15 68.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.564 -0.744 . . . . 1.07 112.056 -178.341 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 540' ' ' LEU . . . . . 0.686 ' HG ' ' O ' ' A' ' 536' ' ' ASP . 41.0 mt -64.24 -39.49 94.07 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 121.094 -0.242 . . . . 0.36 111.287 178.74 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -80.01 -36.87 23.73 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.71 -0.757 . . . . 0.22 112.772 -177.562 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 542' ' ' LEU . . . . . 0.642 ' HA ' ' O ' ' A' ' 545' ' ' GLY . 68.5 mt -48.07 -42.81 52.39 Favored Pre-proline 0 CA--C 1.545 0.776 0 N-CA-C 115.343 1.609 . . . . 0.25 115.343 -173.218 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 543' ' ' PRO . . . . . 0.534 ' HD3' ' O ' ' A' ' 539' ' ' ASN . 80.3 Cg_exo -50.79 -34.4 44.54 Favored 'Trans proline' 0 C--N 1.357 1.003 0 C-N-CA 121.849 1.699 . . . . 0.19 115.138 -174.706 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 69.2 m-85 -110.6 -18.98 13.05 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 113.039 0.755 . . . . 0.35 113.039 177.778 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 545' ' ' GLY . . . . . 0.642 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . -145.35 149.66 21.81 Favored Glycine 0 CA--C 1.52 0.351 0 C-N-CA 120.266 -0.968 . . . . 1.14 113.529 178.443 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 546' ' ' LYS . . . . . 0.497 ' O ' ' HA ' ' A' ' 563' ' ' MET . 56.2 tptt -86.72 127.67 34.98 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.774 0.321 . . . . 1.56 111.674 -177.926 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 547' ' ' VAL . . . . . 0.601 ' HA ' ' O ' ' A' ' 562' ' ' GLU . 84.4 t -87.98 135.71 24.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.473 -0.785 . . . . 0.25 110.535 177.017 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 81.5 p -101.27 -39.59 7.55 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.084 0.469 . . . . 0.37 110.523 177.188 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -157.98 168.46 27.06 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.647 -0.706 . . . . 1.43 109.941 179.423 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 33.4 p90 -141.24 151.15 43.48 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.982 0.42 . . . . 0.47 110.885 -177.756 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 551' ' ' ILE . . . . . 0.53 HD12 HD22 ' A' ' 599' ' ' LEU . 29.9 mt -130.73 123.73 55.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.643 -0.708 . . . . 0.37 109.148 174.997 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 552' ' ' LEU . . . . . . . . . . . . . 46.5 mt -110.68 111.22 22.27 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.289 -0.414 . . . . 0.45 111.526 -174.507 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 63.4 mtt -108.93 86.02 2.21 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.411 0.624 . . . . 1.18 110.033 174.417 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 32.7 mmtm -67.74 -30.09 69.48 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.386 -0.824 . . . . 1.45 110.461 -177.031 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 65.1 p -58.88 -36.85 75.33 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.603 -0.726 . . . . 1.11 111.602 -178.011 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 556' ' ' THR . . . . . 0.409 ' O ' ' HG2' ' A' ' 558' ' ' GLN . 69.2 p -101.07 11.43 39.56 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.297 -0.41 . . . . 0.88 111.601 -178.895 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 56.34 43.23 26.64 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.93 -0.577 . . . . 2.35 110.737 -179.806 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 558' ' ' GLN . . . . . 0.409 ' HG2' ' O ' ' A' ' 556' ' ' THR . 74.6 mm-40 -140.23 149.02 42.37 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.132 0.492 . . . . 2.07 110.85 -175.61 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -130.13 142.56 50.58 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 115.944 -0.571 . . . . 0.27 109.527 175.498 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 560' ' ' PHE . . . . . 0.518 ' HB3' HD21 ' A' ' 599' ' ' LEU . 76.6 m-85 -120.05 126.79 51.66 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 109.666 -0.494 . . . . 0.33 109.666 179.348 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 14.8 tp -124.19 128.09 48.7 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.735 -0.666 . . . . 0.22 109.559 -174.232 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 562' ' ' GLU . . . . . 0.601 ' O ' ' HA ' ' A' ' 547' ' ' VAL . 7.4 tp10 -99.35 138.45 36.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.69 -0.232 . . . . 1.85 111.327 -172.321 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 563' ' ' MET . . . . . 0.497 ' HA ' ' O ' ' A' ' 546' ' ' LYS . 14.8 mmt -115.96 135.07 54.32 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.337 0.589 . . . . 0.96 111.43 -176.2 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -66.26 -25.99 67.13 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.332 -0.849 . . . . 0.36 111.556 -177.155 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -126.12 134.41 51.35 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.423 -0.808 . . . . 1.27 109.12 -178.826 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 7.1 t -69.37 -30.81 68.89 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.71 0.291 . . . . 0.52 110.246 178.675 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -66.94 -35.88 80.99 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-O 121.055 0.455 . . . . 1.91 110.062 174.705 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 568' ' ' ALA . . . . . 0.622 ' HB1' ' CA ' ' A' ' 545' ' ' GLY . . . -62.54 -46.16 89.64 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 115.52 -0.764 . . . . 0.28 109.519 176.854 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 569' ' ' ALA . . . . . 0.87 ' HA ' ' SD ' ' A' ' 572' ' ' MET . . . -64.29 -45.48 87.83 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.507 -0.769 . . . . 0.19 111.567 -179.631 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 570' ' ' GLN . . . . . 0.555 ' O ' ' HG2' ' A' ' 574' ' ' GLN . 46.9 mt-30 -65.86 -47.15 75.9 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.26 -0.427 . . . . 1.21 111.149 -179.251 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -68.82 -37.93 79.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.552 -0.294 . . . . 0.31 111.547 -176.349 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 572' ' ' MET . . . . . 0.87 ' SD ' ' HA ' ' A' ' 569' ' ' ALA . 3.0 ptm -63.58 -47.69 80.44 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.674 -0.491 . . . . 0.62 109.674 -179.509 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 573' ' ' VAL . . . . . 0.688 HG13 ' HA ' ' A' ' 591' ' ' ARG . 50.6 t -67.24 -37.42 79.1 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.611 0 CA-C-N 116.399 -0.364 . . . . 0.21 111.235 -177.743 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 574' ' ' GLN . . . . . 0.555 ' HG2' ' O ' ' A' ' 570' ' ' GLN . 15.8 mm100 -59.1 -36.83 75.83 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.619 -0.432 . . . . 1.9 110.001 177.597 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 575' ' ' TYR . . . . . 0.414 ' HD2' ' CD2' ' A' ' 576' ' ' TYR . 82.5 t80 -69.67 -50.69 41.54 Favored 'General case' 0 C--O 1.219 -0.537 0 C-N-CA 120.729 -0.389 . . . . 0.52 111.277 172.958 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 576' ' ' TYR . . . . . 0.54 ' CB ' ' HB ' ' A' ' 590' ' ' ILE . 20.4 m-85 -74.7 -19.41 60.26 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 112.34 0.496 . . . . 0.34 112.34 -170.996 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 15.9 mm-40 -71.11 -30.54 66.64 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 120.904 0.383 . . . . 1.84 110.74 172.641 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 36.1 mm-40 -97.58 -39.93 8.87 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.115 0.483 . . . . 2.07 111.286 -179.819 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 13.1 mmmm -128.9 84.47 62.99 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-N 115.938 -0.574 . . . . 2.07 109.641 175.009 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_exo -73.37 159.62 46.36 Favored 'Trans proline' 0 CA--C 1.529 0.229 0 C-N-CA 123.396 2.731 . . . . 0.19 112.284 -176.282 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 581' ' ' ALA . . . . . 0.518 ' HB1' HD22 ' A' ' 540' ' ' LEU . . . -93.62 153.16 18.54 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.826 0.346 . . . . 0.2 111.193 -172.88 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 582' ' ' ILE . . . . . 0.514 ' HA ' ' O ' ' A' ' 586' ' ' GLU . 61.8 mt -111.33 133.05 58.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.105 0.479 . . . . 0.54 112.166 -173.06 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 583' ' ' ILE . . . . . . . . . . . . . 34.3 mm -120.51 113.57 40.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 115.366 -0.834 . . . . 0.73 110.543 173.493 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 52.91 40.61 31.22 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 122.87 0.468 . . . . 1.46 111.759 178.314 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 85.76 4.49 85.03 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.739 -0.743 . . . . 0.67 112.644 179.28 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 586' ' ' GLU . . . . . 0.514 ' O ' ' HA ' ' A' ' 582' ' ' ILE . 56.3 mm-40 -101.83 125.42 48.5 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 110.093 -0.336 . . . . 1.93 110.093 178.443 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -86.83 107.42 18.3 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.39 -0.596 . . . . 2.12 109.39 177.217 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 588' ' ' LEU . . . . . . . . . . . . . 77.4 mt -92.43 125.86 37.26 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.833 -0.622 . . . . 0.28 110.451 -177.764 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 32.2 tp -82.55 109.4 16.72 Favored 'General case' 0 N--CA 1.44 -0.969 0 N-CA-C 108.573 -0.899 . . . . 0.38 108.573 175.119 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 590' ' ' ILE . . . . . 0.54 ' HB ' ' CB ' ' A' ' 576' ' ' TYR . 49.2 mt -94.96 116.02 35.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 N-CA-C 108.42 -0.955 . . . . 0.17 108.42 -179.859 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 591' ' ' ARG . . . . . 0.688 ' HA ' HG13 ' A' ' 573' ' ' VAL . 27.0 ptt180 -144.73 163.97 32.42 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.985 0.735 . . . . 3.0 112.985 -172.69 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 592' ' ' MET . . . . . 0.577 ' HG2' HG11 ' A' ' 573' ' ' VAL . 0.7 OUTLIER -63.61 139.59 58.78 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.248 -0.887 . . . . 0.33 110.549 -173.563 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 23.1 t -87.85 126.63 35.14 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.772 -0.455 . . . . 1.04 109.772 174.835 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 15.1 p -95.38 -14.02 24.21 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.201 0.524 . . . . 1.6 109.895 173.472 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -81.45 -37.08 28.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.594 -0.73 . . . . 2.94 110.792 179.737 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -115.09 132.9 56.45 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.041 0.448 . . . . 0.93 111.109 176.317 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 62.0 mttp -91.58 -39.96 11.61 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.421 -0.808 . . . . 3.4 109.356 172.722 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -143.33 148.2 35.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.04 -0.982 . . . . 2.02 109.209 178.226 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 599' ' ' LEU . . . . . 0.53 HD22 HD12 ' A' ' 551' ' ' ILE . 59.3 mt . . . . . 0 C--N 1.321 -0.656 0 CA-C-O 121.239 0.543 . . . . 1.02 110.311 175.131 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 68.8 t . . . . . 0 N--CA 1.449 -0.508 0 N-CA-C 109.72 -0.474 . . . . 0.44 109.72 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 522' ' ' VAL . . . . . . . . . . . . . 49.3 t -98.99 128.94 50.09 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 N-CA-C 109.531 -0.544 . . . . 0.25 109.531 -179.624 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 523' ' ' HIS . . . . . 0.438 ' CE1' ' HG3' ' A' ' 591' ' ' ARG . 5.0 p-80 -106.43 136.72 45.69 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.407 -0.517 . . . . 1.75 109.913 -179.447 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 524' ' ' ILE . . . . . 0.496 HD12 HG13 ' A' ' 537' ' ' VAL . 74.7 mt -110.77 130.47 64.1 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.953 0 CA-C-N 115.517 -0.765 . . . . 0.28 110.135 -178.936 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 525' ' ' CYS . . . . . 0.595 ' SG ' ' HB3' ' A' ' 589' ' ' LEU . 2.9 p -123.45 175.0 7.01 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.93 -0.577 . . . . 1.28 111.0 -177.106 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 69.55 26.34 5.11 Favored 'General case' 0 N--CA 1.469 0.487 0 O-C-N 124.027 0.829 . . . . 1.22 110.312 -174.824 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 79.6 mt -83.43 121.67 76.73 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 115.981 -0.554 . . . . 0.6 111.164 -177.572 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 528' ' ' PRO . . . . . 0.768 ' HD2' ' SG ' ' A' ' 532' ' ' CYS . 17.3 Cg_exo -68.17 132.26 25.59 Favored 'Trans proline' 0 C--O 1.238 0.496 0 C-N-CA 122.474 2.116 . . . . 0.62 111.596 171.696 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -68.07 131.64 45.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.845 0.355 . . . . 2.98 111.509 -179.679 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 77.36 -19.64 3.68 Favored Glycine 0 C--O 1.228 -0.223 0 CA-C-N 115.96 -0.564 . . . . 0.94 113.834 174.583 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 531' ' ' SER . . . . . 0.499 ' HB2' ' HB2' ' A' ' 528' ' ' PRO . 16.1 m -85.46 -32.17 22.43 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 117.139 0.469 . . . . 1.17 110.605 -179.556 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 532' ' ' CYS . . . . . 0.768 ' SG ' ' HD2' ' A' ' 528' ' ' PRO . 36.4 m -85.24 136.11 33.65 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.893 -0.594 . . . . 0.77 109.952 178.27 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 69.9 p -105.93 168.61 9.01 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.523 -0.547 . . . . 0.54 109.523 176.52 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -59.93 -40.67 89.69 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.502 0.668 . . . . 1.32 109.348 179.603 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -62.5 -43.49 98.68 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 114.798 -1.092 . . . . 1.95 112.105 -175.653 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 536' ' ' ASP . . . . . 0.459 ' O ' ' HG ' ' A' ' 540' ' ' LEU . 63.9 m-20 -63.75 -47.42 81.09 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 120.956 0.408 . . . . 0.52 110.898 -175.874 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 537' ' ' VAL . . . . . 0.496 HG13 HD12 ' A' ' 524' ' ' ILE . 59.5 t -62.57 -42.58 96.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.443 -0.799 . . . . 0.25 110.857 -176.53 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 97.8 mt -66.74 -45.58 87.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.012 -0.54 . . . . 0.24 110.978 179.298 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 539' ' ' ASN . . . . . 0.562 ' O ' ' HD3' ' A' ' 543' ' ' PRO . 21.5 m-80 -63.47 -28.31 69.87 Favored 'General case' 0 CA--C 1.518 -0.254 0 N-CA-C 112.563 0.579 . . . . 1.07 112.563 -179.849 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 540' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' A' ' 536' ' ' ASP . 28.7 mt -68.39 -33.51 74.38 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.67 -0.412 . . . . 0.36 111.669 178.804 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -79.25 -33.86 34.5 Favored Glycine 0 CA--C 1.518 0.264 0 C-N-CA 120.22 -0.99 . . . . 0.22 112.674 -178.281 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 542' ' ' LEU . . . . . 0.548 HD12 ' HA ' ' A' ' 539' ' ' ASN . 87.8 mt -52.04 -48.1 89.49 Favored Pre-proline 0 CA--C 1.548 0.873 0 N-CA-C 115.531 1.678 . . . . 0.25 115.531 -175.019 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 543' ' ' PRO . . . . . 0.562 ' HD3' ' O ' ' A' ' 539' ' ' ASN . 17.2 Cg_exo -43.24 -33.53 3.83 Favored 'Trans proline' 0 N--CA 1.484 0.953 0 C-N-CA 123.259 2.639 . . . . 0.19 117.273 -167.27 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 544' ' ' PHE . . . . . 0.495 ' HB2' ' CA ' ' A' ' 572' ' ' MET . 79.0 m-85 -110.02 -17.44 13.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 121.16 -0.963 . . . . 0.35 112.362 179.719 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -128.77 -140.33 4.92 Favored Glycine 0 C--N 1.32 -0.359 0 CA-C-N 116.094 -0.503 . . . . 1.14 112.741 -179.348 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 546' ' ' LYS . . . . . 0.472 ' O ' ' HA ' ' A' ' 563' ' ' MET . 29.9 tptp -151.41 138.73 19.37 Favored 'General case' 0 C--N 1.312 -1.038 0 N-CA-C 109.147 -0.686 . . . . 1.56 109.147 173.369 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 92.3 t -91.88 134.38 30.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 O-C-N 123.229 0.331 . . . . 0.25 110.469 179.461 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 548' ' ' THR . . . . . 0.492 ' CG2' ' HA ' ' A' ' 564' ' ' ALA . 37.4 p -107.33 -40.57 5.34 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.023 -0.535 . . . . 0.37 111.031 176.908 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 72.3 m-20 -147.81 165.65 29.92 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.988 -0.551 . . . . 1.43 109.93 -176.694 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 11.8 p90 -150.04 150.03 31.17 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 110.139 -0.319 . . . . 0.47 110.139 178.057 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 551' ' ' ILE . . . . . 0.444 HD12 HD22 ' A' ' 599' ' ' LEU . 21.0 mt -137.74 124.07 27.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 109.299 -0.63 . . . . 0.37 109.299 173.407 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 552' ' ' LEU . . . . . . . . . . . . . 84.5 mt -105.09 110.83 23.37 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 116.009 -0.542 . . . . 0.45 110.97 -177.098 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 24.9 mmt -101.47 81.82 2.23 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.782 -0.822 . . . . 1.18 108.782 174.597 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -70.55 -30.18 66.83 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.002 -0.999 . . . . 1.45 110.951 -175.286 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 65.3 p -64.27 -25.92 68.27 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.899 -0.591 . . . . 1.11 111.174 178.914 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 76.6 p -105.96 9.38 32.64 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.3 -0.409 . . . . 0.88 111.367 179.785 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 4.1 t30 56.85 42.64 26.21 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 115.821 -0.627 . . . . 2.35 110.823 -179.337 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 85.8 mm-40 -143.37 149.72 38.1 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.009 0.433 . . . . 2.07 111.369 -174.554 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -130.49 143.8 50.99 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.143 -0.48 . . . . 0.27 110.271 176.083 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 560' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -120.61 129.09 53.59 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.011 -0.54 . . . . 0.33 110.062 178.791 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 15.2 tp -124.29 126.32 45.84 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.013 -0.54 . . . . 0.22 110.123 -175.525 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 562' ' ' GLU . . . . . 0.429 ' HB2' HD12 ' A' ' 599' ' ' LEU . 39.2 tt0 -100.65 138.95 37.01 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.253 -0.431 . . . . 1.85 110.075 -176.945 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 563' ' ' MET . . . . . 0.472 ' HA ' ' O ' ' A' ' 546' ' ' LYS . 21.6 mmt -109.61 164.09 12.86 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.108 -0.496 . . . . 0.96 111.274 -174.402 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 564' ' ' ALA . . . . . 0.492 ' HA ' ' CG2' ' A' ' 548' ' ' THR . . . -65.1 -46.78 79.64 Favored 'General case' 0 C--O 1.237 0.427 0 N-CA-C 111.958 0.355 . . . . 0.36 111.958 -178.35 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -133.61 161.16 35.4 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.878 -0.601 . . . . 1.27 109.545 -178.547 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 566' ' ' THR . . . . . 0.591 ' O ' ' HG2' ' A' ' 570' ' ' GLN . 14.7 t -63.64 -36.9 85.35 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 120.367 -0.533 . . . . 0.52 110.134 179.175 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -65.18 -31.77 73.12 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-O 120.877 0.37 . . . . 1.91 110.651 177.244 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 568' ' ' ALA . . . . . . . . . . . . . . . -62.2 -47.13 85.83 Favored 'General case' 0 N--CA 1.447 -0.625 0 N-CA-C 108.576 -0.898 . . . . 0.28 108.576 172.992 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 569' ' ' ALA . . . . . 0.55 ' HA ' ' SD ' ' A' ' 572' ' ' MET . . . -67.76 -39.29 84.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.042 -0.981 . . . . 0.19 112.028 -177.865 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 570' ' ' GLN . . . . . 0.591 ' HG2' ' O ' ' A' ' 566' ' ' THR . 23.4 mm-40 -62.51 -46.11 89.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.224 0.535 . . . . 1.21 110.055 178.422 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -62.22 -47.78 82.89 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.283 -0.871 . . . . 0.31 113.011 -167.228 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 572' ' ' MET . . . . . 0.55 ' SD ' ' HA ' ' A' ' 569' ' ' ALA . 0.5 OUTLIER -71.31 -41.84 69.41 Favored 'General case' 0 CA--C 1.518 -0.266 0 C-N-CA 119.902 -0.719 . . . . 0.62 110.544 -177.892 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 573' ' ' VAL . . . . . 0.615 HG13 ' HA ' ' A' ' 591' ' ' ARG . 91.3 t -67.37 -37.17 78.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.912 -0.585 . . . . 0.21 112.079 -174.968 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 574' ' ' GLN . . . . . 0.532 ' HG2' ' O ' ' A' ' 570' ' ' GLN . 11.5 mm-40 -59.48 -36.74 76.59 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.693 -0.403 . . . . 1.9 109.944 176.736 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -68.71 -48.61 63.42 Favored 'General case' 0 C--O 1.215 -0.757 0 CA-C-N 116.17 -0.468 . . . . 0.52 110.499 172.113 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 576' ' ' TYR . . . . . 0.47 ' CB ' ' HB ' ' A' ' 590' ' ' ILE . 25.0 m-85 -76.01 -16.87 59.89 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 113.859 1.059 . . . . 0.34 113.859 -171.141 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -78.74 -28.48 44.9 Favored 'General case' 0 C--N 1.315 -0.895 0 C-N-CA 119.655 -0.818 . . . . 1.84 110.179 173.721 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -96.83 -39.76 9.26 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.783 -0.644 . . . . 2.07 111.446 -179.392 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -133.51 80.48 57.09 Favored Pre-proline 0 C--N 1.322 -0.61 0 N-CA-C 108.96 -0.755 . . . . 2.07 108.96 176.406 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_exo -66.89 160.61 46.11 Favored 'Trans proline' 0 CA--C 1.531 0.356 0 C-N-CA 123.788 2.992 . . . . 0.19 113.445 -172.172 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -91.82 153.18 19.74 Favored 'General case' 0 CA--C 1.52 -0.174 0 CA-C-N 115.846 -0.615 . . . . 0.2 110.623 -173.194 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 582' ' ' ILE . . . . . 0.419 HG12 ' HG2' ' A' ' 587' ' ' LYS . 70.0 mt -114.53 134.92 55.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 112.844 0.683 . . . . 0.54 112.844 -169.85 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 583' ' ' ILE . . . . . 0.461 HD12 HD11 ' A' ' 588' ' ' LEU . 16.5 mt -122.37 126.9 74.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.58 -0.736 . . . . 0.73 109.505 168.282 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 59.23 35.75 23.57 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.078 -0.51 . . . . 1.46 111.647 177.351 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 76.8 7.28 86.08 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 121.108 -0.568 . . . . 0.67 113.092 177.207 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -120.75 135.83 55.04 Favored 'General case' 0 N--CA 1.442 -0.836 0 N-CA-C 109.832 -0.432 . . . . 1.93 109.832 179.864 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 587' ' ' LYS . . . . . 0.419 ' HG2' HG12 ' A' ' 582' ' ' ILE . 43.7 mtmt -82.4 127.28 33.11 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.08 -0.509 . . . . 2.12 111.969 -171.348 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 588' ' ' LEU . . . . . 0.461 HD11 HD12 ' A' ' 583' ' ' ILE . 38.4 mt -95.99 137.4 35.11 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.577 -0.738 . . . . 0.28 109.392 175.001 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 589' ' ' LEU . . . . . 0.595 ' HB3' ' SG ' ' A' ' 525' ' ' CYS . 46.6 tp -89.86 109.91 20.89 Favored 'General case' 0 C--N 1.311 -1.07 0 C-N-CA 119.724 -0.79 . . . . 0.38 108.958 173.012 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 590' ' ' ILE . . . . . 0.47 ' HB ' ' CB ' ' A' ' 576' ' ' TYR . 43.0 mt -97.52 115.63 37.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 108.199 -1.037 . . . . 0.17 108.199 177.758 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 591' ' ' ARG . . . . . 0.615 ' HA ' HG13 ' A' ' 573' ' ' VAL . 15.2 ptm180 -146.57 159.29 43.63 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.287 0.565 . . . . 3.0 112.406 -173.17 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 592' ' ' MET . . . . . 0.499 ' HG2' HG11 ' A' ' 573' ' ' VAL . 1.2 mmt -64.19 134.58 55.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.235 -0.893 . . . . 0.33 110.55 -175.331 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 32.3 t -87.9 134.01 33.79 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.07 0.462 . . . . 1.04 110.835 176.786 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 17.3 p -95.96 -0.29 50.89 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.663 0.744 . . . . 1.6 109.781 173.651 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 72.2 mtp180 -95.0 -36.69 11.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.194 -0.912 . . . . 2.94 111.345 -176.913 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 47.6 m-85 -122.22 132.48 54.46 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.721 0.296 . . . . 0.93 111.018 -178.784 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -92.07 -36.58 13.27 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.924 -0.58 . . . . 3.4 109.872 171.171 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -147.67 147.53 30.07 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.371 -0.831 . . . . 2.02 110.218 -179.856 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 599' ' ' LEU . . . . . 0.444 HD22 HD12 ' A' ' 551' ' ' ILE . 92.9 mt . . . . . 0 C--N 1.322 -0.603 0 CA-C-N 116.021 -0.536 . . . . 1.02 110.417 -179.494 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 71.8 t . . . . . 0 N--CA 1.452 -0.373 0 CA-C-O 121.105 0.479 . . . . 0.44 110.454 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 522' ' ' VAL . . . . . . . . . . . . . 58.5 t -109.31 134.27 51.88 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 N-CA-C 109.128 -0.693 . . . . 0.25 109.128 174.978 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 11.6 p-80 -110.73 140.35 45.2 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.357 0.599 . . . . 1.75 110.831 -178.447 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 524' ' ' ILE . . . . . 0.535 HD12 HG13 ' A' ' 537' ' ' VAL . 79.0 mt -112.95 130.03 67.54 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.876 0 CA-C-N 115.285 -0.87 . . . . 0.28 110.735 -177.153 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 45.9 m -114.12 174.44 5.94 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.845 -0.616 . . . . 1.28 110.432 -178.337 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 68.8 27.64 5.68 Favored 'General case' 0 N--CA 1.468 0.441 0 O-C-N 123.593 0.558 . . . . 1.22 111.131 178.192 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 527' ' ' LEU . . . . . 0.508 HD21 HD13 ' A' ' 588' ' ' LEU . 79.2 mt -84.51 120.26 74.0 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 116.217 -0.447 . . . . 0.6 111.107 -177.864 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 528' ' ' PRO . . . . . 0.504 ' HD2' ' SG ' ' A' ' 532' ' ' CYS . 37.1 Cg_endo -69.1 132.88 25.37 Favored 'Trans proline' 0 C--O 1.238 0.485 0 C-N-CA 122.566 2.178 . . . . 0.62 112.059 174.383 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -68.73 132.09 46.26 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.575 -0.739 . . . . 2.98 111.371 -179.386 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 79.38 -18.28 6.98 Favored Glycine 0 CA--C 1.517 0.191 0 CA-C-N 116.172 -0.467 . . . . 0.94 113.594 175.815 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 531' ' ' SER . . . . . 0.535 ' HB3' ' ND2' ' A' ' 584' ' ' ASN . 15.6 m -89.29 -34.33 16.63 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.889 0.375 . . . . 1.17 110.952 -177.757 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 532' ' ' CYS . . . . . 0.504 ' SG ' ' HD2' ' A' ' 528' ' ' PRO . 55.5 m -86.02 137.24 32.85 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.253 -0.43 . . . . 0.77 110.821 -179.934 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 69.6 p -105.78 170.39 7.93 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.677 -0.49 . . . . 0.54 109.677 175.974 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -60.19 -43.42 95.91 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.313 0.578 . . . . 1.32 109.599 178.298 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -59.77 -43.52 94.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 114.932 -1.031 . . . . 1.95 111.661 -177.418 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 536' ' ' ASP . . . . . 0.555 ' O ' ' HG ' ' A' ' 540' ' ' LEU . 38.6 m-20 -59.56 -48.56 81.2 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 120.848 0.356 . . . . 0.52 111.237 -176.283 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 537' ' ' VAL . . . . . 0.535 HG13 HD12 ' A' ' 524' ' ' ILE . 45.7 t -63.01 -45.72 98.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.774 -0.648 . . . . 0.25 110.537 -176.041 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 88.0 mt -66.91 -42.74 89.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.732 -0.667 . . . . 0.24 110.651 -179.812 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 539' ' ' ASN . . . . . 0.522 ' O ' ' HD3' ' A' ' 543' ' ' PRO . 4.8 m-20 -65.36 -28.3 69.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.074 -0.512 . . . . 1.07 112.132 -178.488 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 540' ' ' LEU . . . . . 0.555 ' HG ' ' O ' ' A' ' 536' ' ' ASP . 55.7 mt -73.58 -34.49 65.13 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.856 -0.338 . . . . 0.36 111.817 -179.538 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -77.22 -39.93 25.6 Favored Glycine 0 N--CA 1.453 -0.186 0 C-N-CA 120.287 -0.959 . . . . 0.22 112.329 -179.531 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 542' ' ' LEU . . . . . 0.634 ' HA ' ' O ' ' A' ' 545' ' ' GLY . 81.0 mt -49.01 -44.11 70.33 Favored Pre-proline 0 CA--C 1.546 0.793 0 N-CA-C 115.106 1.521 . . . . 0.25 115.106 -174.28 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 543' ' ' PRO . . . . . 0.522 ' HD3' ' O ' ' A' ' 539' ' ' ASN . 34.3 Cg_exo -47.98 -34.27 22.42 Favored 'Trans proline' 0 C--N 1.358 1.071 0 C-N-CA 122.501 2.134 . . . . 0.19 115.792 -173.553 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 544' ' ' PHE . . . . . 0.521 ' HB2' ' CB ' ' A' ' 572' ' ' MET . 95.5 m-85 -111.44 -18.74 12.8 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 119.824 -0.751 . . . . 0.35 112.854 177.367 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 545' ' ' GLY . . . . . 0.634 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . -148.43 149.61 21.67 Favored Glycine 0 C--O 1.224 -0.482 0 C-N-CA 120.821 -0.704 . . . . 1.14 113.104 178.713 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 546' ' ' LYS . . . . . 0.468 ' O ' ' HA ' ' A' ' 563' ' ' MET . 23.5 tptm -85.7 137.18 33.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.012 0.434 . . . . 1.56 111.598 -177.937 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 547' ' ' VAL . . . . . 0.522 ' HA ' ' O ' ' A' ' 562' ' ' GLU . 97.4 t -90.1 136.66 23.25 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 CA-C-N 115.182 -0.917 . . . . 0.25 111.215 179.687 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 26.5 p -104.38 -41.58 5.71 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.75 -0.659 . . . . 0.37 112.044 176.46 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 61.8 m-80 -147.81 165.21 31.25 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.267 -0.642 . . . . 1.43 109.267 -178.231 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 12.1 p90 -145.16 149.0 34.2 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.706 -0.397 . . . . 0.47 110.859 176.58 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 551' ' ' ILE . . . . . 0.42 HD12 HD22 ' A' ' 599' ' ' LEU . 23.7 mt -136.45 123.54 32.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 109.135 -0.691 . . . . 0.37 109.135 174.215 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 552' ' ' LEU . . . . . . . . . . . . . 84.1 mt -106.64 111.31 23.8 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 116.028 -0.533 . . . . 0.45 111.387 -176.484 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 26.2 mmt -107.93 83.89 1.87 Allowed 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.39 -0.596 . . . . 1.18 109.39 174.121 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -68.32 -30.75 69.81 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.524 -0.762 . . . . 1.45 110.597 -176.591 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 68.4 p -60.65 -31.52 70.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.966 -0.561 . . . . 1.11 111.261 179.144 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 70.8 p -98.39 9.23 43.57 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.073 0.463 . . . . 0.88 110.984 178.371 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 58.4 m-20 55.11 40.37 31.83 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 115.195 -0.911 . . . . 2.35 111.116 178.045 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -148.86 162.13 40.44 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.009 0.433 . . . . 2.07 110.601 -176.55 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -137.63 144.47 41.92 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.973 -0.558 . . . . 0.27 110.347 179.943 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 560' ' ' PHE . . . . . 0.424 ' HB3' HD21 ' A' ' 599' ' ' LEU . 90.6 m-85 -114.45 126.84 55.42 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.181 -0.463 . . . . 0.33 109.856 178.239 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 15.3 tp -126.27 126.44 44.0 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.366 -0.605 . . . . 0.22 109.366 -176.126 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 562' ' ' GLU . . . . . 0.522 ' O ' ' HA ' ' A' ' 547' ' ' VAL . 36.0 tt0 -99.45 138.76 36.08 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.555 0.217 . . . . 1.85 110.921 -173.013 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 563' ' ' MET . . . . . 0.468 ' HA ' ' O ' ' A' ' 546' ' ' LYS . 15.7 mmt -113.62 137.16 51.98 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.018 -0.537 . . . . 0.96 110.71 -176.1 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -65.7 -29.78 70.37 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-N 115.155 -0.93 . . . . 0.36 111.965 -176.546 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 565' ' ' TYR . . . . . 0.401 ' HB2' ' HB2' ' A' ' 568' ' ' ALA . 54.4 m-85 -121.62 141.87 50.68 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 116.119 -0.491 . . . . 1.27 109.819 -176.437 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 566' ' ' THR . . . . . 0.448 ' O ' ' HG3' ' A' ' 570' ' ' GLN . 8.0 t -64.33 -35.53 81.16 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.542 -0.54 . . . . 0.52 109.542 175.649 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -66.15 -38.6 88.5 Favored 'General case' 0 CA--C 1.515 -0.398 0 CA-C-N 115.879 -0.6 . . . . 1.91 110.496 175.973 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 568' ' ' ALA . . . . . 0.586 ' HB1' ' CA ' ' A' ' 545' ' ' GLY . . . -62.18 -44.39 96.71 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.652 -0.704 . . . . 0.28 110.422 179.469 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 569' ' ' ALA . . . . . 0.442 ' HB1' ' HE1' ' A' ' 592' ' ' MET . . . -67.75 -46.44 72.09 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.69 -0.686 . . . . 0.19 111.509 -179.313 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 570' ' ' GLN . . . . . 0.517 ' O ' ' HG2' ' A' ' 574' ' ' GLN . 76.3 mt-30 -68.14 -46.0 72.03 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.415 -0.357 . . . . 1.21 111.545 -176.828 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -62.25 -42.17 99.09 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-N 116.309 -0.405 . . . . 0.31 111.602 -174.301 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 572' ' ' MET . . . . . 0.521 ' CB ' ' HB2' ' A' ' 544' ' ' PHE . 15.8 ptp -65.88 -45.06 83.47 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 116.341 -0.39 . . . . 0.62 110.307 -178.978 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 573' ' ' VAL . . . . . 0.647 HG13 ' HA ' ' A' ' 591' ' ' ARG . 98.1 t -66.94 -36.84 78.15 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.513 0 CA-C-N 116.246 -0.433 . . . . 0.21 111.504 -177.059 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 574' ' ' GLN . . . . . 0.517 ' HG2' ' O ' ' A' ' 570' ' ' GLN . 15.9 mm100 -58.85 -38.12 78.01 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.511 -0.552 . . . . 1.9 109.511 178.127 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 72.5 t80 -69.38 -49.65 53.45 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.794 -0.639 . . . . 0.52 111.079 172.984 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 576' ' ' TYR . . . . . 0.476 ' CE1' ' HB2' ' A' ' 572' ' ' MET . 20.6 m-85 -73.4 -16.73 61.32 Favored 'General case' 0 C--O 1.222 -0.36 0 N-CA-C 113.012 0.745 . . . . 0.34 113.012 -172.109 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 577' ' ' GLN . . . . . 0.434 ' OE1' ' HB3' ' A' ' 591' ' ' ARG . 15.3 mm100 -76.14 -29.26 57.73 Favored 'General case' 0 C--N 1.319 -0.723 0 O-C-N 121.872 -0.517 . . . . 1.84 110.747 173.909 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -98.06 -39.54 8.87 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.86 0.362 . . . . 2.07 111.258 178.622 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 59.2 mtpt -130.0 80.57 70.84 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-N 116.166 -0.47 . . . . 2.07 110.125 177.112 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_exo -71.2 160.1 50.02 Favored 'Trans proline' 0 C--O 1.233 0.266 0 C-N-CA 123.553 2.836 . . . . 0.19 112.195 -176.005 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -92.31 152.58 19.72 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.353 -0.385 . . . . 0.2 110.188 -175.432 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 60.7 mt -119.6 129.67 75.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 N-CA-C 111.991 0.367 . . . . 0.54 111.991 -170.327 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 583' ' ' ILE . . . . . 0.588 HD12 HD11 ' A' ' 588' ' ' LEU . 31.7 mt -121.66 120.63 62.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.052 -0.522 . . . . 0.73 110.582 174.544 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 584' ' ' ASN . . . . . 0.535 ' ND2' ' HB3' ' A' ' 531' ' ' SER . 3.9 m-20 59.32 34.28 22.85 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 116.245 -0.434 . . . . 1.46 111.162 177.602 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 81.78 4.39 90.34 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.785 -0.722 . . . . 0.67 112.606 179.682 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 42.2 mm-40 -102.45 125.9 49.31 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.999 -0.371 . . . . 1.93 109.999 178.095 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 61.4 mttp -79.62 112.32 16.77 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.936 -0.394 . . . . 2.12 109.936 178.521 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 588' ' ' LEU . . . . . 0.588 HD11 HD12 ' A' ' 583' ' ' ILE . 22.9 mt -85.82 121.06 27.94 Favored 'General case' 0 CA--C 1.501 -0.91 0 CA-C-N 115.799 -0.637 . . . . 0.28 109.767 179.402 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 24.9 tp -84.65 107.34 16.81 Favored 'General case' 0 N--CA 1.43 -1.428 0 N-CA-C 108.128 -1.064 . . . . 0.38 108.128 174.747 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 590' ' ' ILE . . . . . 0.436 ' HB ' ' CB ' ' A' ' 576' ' ' TYR . 34.8 mt -96.3 116.12 37.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 108.286 -1.005 . . . . 0.17 108.286 179.697 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 591' ' ' ARG . . . . . 0.647 ' HA ' HG13 ' A' ' 573' ' ' VAL . 26.6 ptt180 -142.37 158.97 43.13 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 113.775 1.028 . . . . 3.0 113.775 -172.143 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 592' ' ' MET . . . . . 0.622 ' HG2' HG11 ' A' ' 573' ' ' VAL . 0.1 OUTLIER -65.34 131.85 47.51 Favored 'General case' 0 N--CA 1.461 0.113 0 CA-C-N 114.315 -1.311 . . . . 0.33 111.286 -174.736 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 20.6 m -87.64 128.65 35.28 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.77 0.319 . . . . 1.04 111.078 176.32 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 11.6 p -98.89 -17.77 18.21 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.166 0.508 . . . . 1.6 109.974 171.531 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 76.2 mtp180 -79.32 -41.98 26.75 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.717 -0.674 . . . . 2.94 111.133 -179.874 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -109.88 129.69 55.62 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.903 -0.319 . . . . 0.93 110.673 -178.011 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp -95.17 -39.71 9.96 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.077 -0.51 . . . . 3.4 110.284 168.33 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -134.63 145.79 48.94 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.545 -0.752 . . . . 2.02 111.536 -175.778 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 599' ' ' LEU . . . . . 0.424 HD21 ' HB3' ' A' ' 560' ' ' PHE . 94.8 mt . . . . . 0 C--N 1.319 -0.727 0 CA-C-N 115.664 -0.698 . . . . 1.02 110.084 171.225 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 521' ' ' VAL . . . . . 0.538 HG22 ' HG ' ' A' ' 599' ' ' LEU . 65.4 t . . . . . 0 N--CA 1.45 -0.453 0 CA-C-O 121.472 0.653 . . . . 0.44 111.715 . . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 522' ' ' VAL . . . . . . . . . . . . . 95.7 t -104.68 134.37 46.24 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-N 114.954 -1.021 . . . . 0.25 108.939 172.596 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 523' ' ' HIS . . . . . 0.421 ' CE1' ' HG3' ' A' ' 591' ' ' ARG . 5.8 p-80 -108.5 136.89 47.36 Favored 'General case' 0 C--N 1.318 -0.765 0 C-N-CA 120.185 -0.606 . . . . 1.75 109.709 179.582 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 524' ' ' ILE . . . . . 0.568 HD12 HG13 ' A' ' 537' ' ' VAL . 76.0 mt -113.99 132.32 63.37 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.949 0 CA-C-N 115.859 -0.61 . . . . 0.28 110.293 -179.237 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 10.9 p -126.63 176.6 7.09 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.704 -0.68 . . . . 1.28 110.426 -176.943 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 69.61 26.69 4.96 Favored 'General case' 0 N--CA 1.466 0.348 0 O-C-N 123.78 0.675 . . . . 1.22 110.381 -177.501 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 87.7 mt -85.54 120.9 73.46 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 115.774 -0.648 . . . . 0.6 110.844 -176.289 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 528' ' ' PRO . . . . . 0.656 ' HD2' ' SG ' ' A' ' 532' ' ' CYS . 16.9 Cg_exo -68.67 131.08 22.0 Favored 'Trans proline' 0 C--O 1.236 0.412 0 C-N-CA 122.214 1.942 . . . . 0.62 111.512 172.295 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -69.4 134.93 49.6 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.847 -0.615 . . . . 2.98 111.433 179.844 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 84.6 -18.34 25.48 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 121.16 -0.543 . . . . 0.94 112.954 176.781 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 5.8 m -94.51 -35.29 12.35 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.108 0.48 . . . . 1.17 110.871 -179.198 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 532' ' ' CYS . . . . . 0.656 ' SG ' ' HD2' ' A' ' 528' ' ' PRO . 35.9 m -86.19 130.32 34.56 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.854 -0.612 . . . . 0.77 110.894 -177.998 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 80.6 p -108.19 169.99 8.29 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.556 -0.535 . . . . 0.54 109.556 174.586 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 534' ' ' GLU . . . . . 0.428 ' HG3' ' N ' ' A' ' 535' ' ' ASN . 7.9 pt-20 -61.37 -37.9 85.07 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.936 -0.765 . . . . 1.32 108.936 174.15 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 535' ' ' ASN . . . . . 0.428 ' N ' ' HG3' ' A' ' 534' ' ' GLU . 4.4 m-20 -59.31 -44.61 92.53 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.148 -0.933 . . . . 1.95 110.712 179.612 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 536' ' ' ASP . . . . . 0.686 ' O ' ' HG ' ' A' ' 540' ' ' LEU . 30.3 m-20 -68.23 -48.07 66.11 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.514 -0.474 . . . . 0.52 111.121 -177.586 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 537' ' ' VAL . . . . . 0.568 HG13 HD12 ' A' ' 524' ' ' ILE . 77.2 t -63.56 -46.01 96.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.146 -0.479 . . . . 0.25 110.901 -176.717 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 97.7 mt -67.49 -45.35 85.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.01 -0.541 . . . . 0.24 111.25 -179.805 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 539' ' ' ASN . . . . . 0.555 ' O ' ' HD3' ' A' ' 543' ' ' PRO . 79.8 m-20 -62.77 -27.63 69.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.29 -0.414 . . . . 1.07 112.036 -178.461 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 540' ' ' LEU . . . . . 0.686 ' HG ' ' O ' ' A' ' 536' ' ' ASP . 45.5 mt -71.17 -35.65 71.71 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 111.992 0.367 . . . . 0.36 111.992 -179.631 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -79.25 -34.36 33.07 Favored Glycine 0 N--CA 1.455 -0.069 0 C-N-CA 120.336 -0.935 . . . . 0.22 112.199 -179.12 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 542' ' ' LEU . . . . . 0.553 ' HA ' ' O ' ' A' ' 545' ' ' GLY . 62.2 mt -48.33 -46.4 67.96 Favored Pre-proline 0 CA--C 1.545 0.783 0 N-CA-C 114.87 1.433 . . . . 0.25 114.87 -176.164 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 543' ' ' PRO . . . . . 0.555 ' HD3' ' O ' ' A' ' 539' ' ' ASN . 41.7 Cg_exo -47.51 -34.05 19.01 Favored 'Trans proline' 0 C--N 1.357 1.021 0 C-N-CA 122.498 2.132 . . . . 0.19 115.79 -172.9 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 544' ' ' PHE . . . . . 0.436 ' HB2' ' CB ' ' A' ' 572' ' ' MET . 95.7 m-85 -111.12 -17.81 13.15 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 113.059 0.762 . . . . 0.35 113.059 178.527 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 545' ' ' GLY . . . . . 0.553 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . -150.76 144.32 11.67 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.952 -0.642 . . . . 1.14 112.295 176.153 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 55.8 tttp -81.74 143.98 31.44 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.129 0.49 . . . . 1.56 111.499 -177.408 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 83.3 t -97.06 136.68 26.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 114.998 -1.001 . . . . 0.25 110.883 -178.553 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 548' ' ' THR . . . . . 0.591 ' OG1' ' HG3' ' A' ' 562' ' ' GLU . 75.9 p -106.15 -38.52 6.25 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.218 -0.446 . . . . 0.37 110.978 177.83 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 46.7 m-80 -147.64 166.61 26.89 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 109.65 -0.5 . . . . 1.43 109.65 -176.546 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 10.1 p90 -152.05 151.47 31.16 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.895 -0.322 . . . . 0.47 111.05 179.282 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 551' ' ' ILE . . . . . 0.526 HD12 HD22 ' A' ' 599' ' ' LEU . 19.7 mt -136.22 124.22 35.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.12 -0.491 . . . . 0.37 109.691 174.043 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 552' ' ' LEU . . . . . . . . . . . . . 68.5 mt -109.02 111.67 23.44 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.828 0.347 . . . . 0.45 111.333 -179.371 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 62.1 mtt -108.89 86.96 2.38 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.235 0.54 . . . . 1.18 110.123 175.09 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 554' ' ' LYS . . . . . 0.417 ' HD2' ' H ' ' A' ' 554' ' ' LYS . 0.1 OUTLIER -68.22 -30.08 69.06 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.862 -0.608 . . . . 1.45 110.397 -177.133 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 70.1 p -63.32 -34.76 78.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.704 -0.68 . . . . 1.11 111.783 -178.488 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 556' ' ' THR . . . . . 0.401 ' O ' ' HG3' ' A' ' 558' ' ' GLN . 76.0 p -98.06 3.51 49.3 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.999 0.428 . . . . 0.88 110.832 -178.729 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 57.87 42.4 23.19 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.117 -0.947 . . . . 2.35 110.728 -178.121 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 558' ' ' GLN . . . . . 0.401 ' HG3' ' O ' ' A' ' 556' ' ' THR . 49.1 mt-30 -141.87 148.97 39.62 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.207 -0.451 . . . . 2.07 110.557 -176.803 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -129.93 143.56 50.87 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 116.304 -0.407 . . . . 0.27 110.085 176.946 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 560' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -120.79 126.4 50.03 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.198 -0.455 . . . . 0.33 109.871 -179.974 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 14.2 tp -121.84 125.41 46.4 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.847 -0.615 . . . . 0.22 109.776 -175.696 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 562' ' ' GLU . . . . . 0.591 ' HG3' ' OG1' ' A' ' 548' ' ' THR . 8.8 tp10 -100.01 137.73 38.06 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.092 -0.504 . . . . 1.85 110.326 -174.201 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 563' ' ' MET . . . . . . . . . . . . . 19.3 mmt -113.38 161.71 16.96 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.252 0.549 . . . . 0.96 111.795 -169.901 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -75.88 -46.71 28.73 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.743 -0.662 . . . . 0.36 111.642 -179.11 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -120.71 155.76 33.2 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.434 -0.348 . . . . 1.27 110.157 -176.558 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 11.4 t -63.49 -39.59 94.86 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 110.108 -0.33 . . . . 0.52 110.108 175.163 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -66.43 -33.81 76.55 Favored 'General case' 0 C--O 1.224 -0.284 0 CA-C-N 116.32 -0.4 . . . . 1.91 110.665 178.278 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 568' ' ' ALA . . . . . 0.4 ' HB1' ' CA ' ' A' ' 545' ' ' GLY . . . -62.04 -45.65 92.63 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.013 0.435 . . . . 0.28 110.191 179.446 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -68.29 -46.45 70.3 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.535 -0.757 . . . . 0.19 111.62 -178.965 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 570' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -68.2 -45.97 71.92 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.61 -0.268 . . . . 1.21 111.403 -177.373 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -62.31 -42.16 99.14 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-N 116.308 -0.405 . . . . 0.31 111.386 -175.636 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 572' ' ' MET . . . . . 0.496 ' HG3' ' N ' ' A' ' 573' ' ' VAL . 16.3 ptp -66.76 -46.31 75.77 Favored 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 120.618 -0.433 . . . . 0.62 110.043 179.367 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 573' ' ' VAL . . . . . 0.784 HG13 ' HA ' ' A' ' 591' ' ' ARG . 45.8 t -66.93 -42.66 89.14 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.527 0 N-CA-C 112.175 0.435 . . . . 0.21 112.175 -173.985 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -61.35 -35.41 77.35 Favored 'General case' 0 C--N 1.319 -0.728 0 C-N-CA 120.266 -0.574 . . . . 1.9 110.042 178.039 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 55.9 t80 -66.43 -46.39 76.63 Favored 'General case' 0 C--O 1.216 -0.681 0 CA-C-N 116.018 -0.537 . . . . 0.52 110.299 172.971 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 576' ' ' TYR . . . . . 0.454 ' CE1' ' HB2' ' A' ' 572' ' ' MET . 21.1 m-85 -76.72 -17.34 59.15 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 112.629 0.603 . . . . 0.34 112.629 -175.59 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -78.51 -27.22 46.07 Favored 'General case' 0 C--N 1.32 -0.709 0 O-C-N 121.86 -0.525 . . . . 1.84 110.217 175.307 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -97.74 -39.15 9.19 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.997 -0.547 . . . . 2.07 110.873 177.429 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -130.61 82.42 64.92 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 115.732 -0.667 . . . . 2.07 109.519 176.918 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_exo -72.45 160.64 46.31 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 123.68 2.92 . . . . 0.19 113.223 -172.89 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 581' ' ' ALA . . . . . 0.451 ' HB1' HD22 ' A' ' 540' ' ' LEU . . . -92.49 152.9 19.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.796 -0.638 . . . . 0.2 110.415 -175.356 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 582' ' ' ILE . . . . . 0.439 HG12 ' HG2' ' A' ' 587' ' ' LYS . 33.9 mt -120.93 133.0 69.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 112.512 0.56 . . . . 0.54 112.512 -168.212 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 583' ' ' ILE . . . . . 0.452 HD12 HD11 ' A' ' 588' ' ' LEU . 42.2 mt -122.19 119.55 58.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 115.993 -0.549 . . . . 0.73 110.055 171.248 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 56.16 35.6 25.97 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 112.132 0.419 . . . . 1.46 112.132 177.396 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 85.71 3.48 86.03 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.611 -0.804 . . . . 0.67 112.751 178.364 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 586' ' ' GLU . . . . . 0.403 ' O ' ' HA ' ' A' ' 582' ' ' ILE . 20.0 mm-40 -102.14 125.69 48.9 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.718 -0.475 . . . . 1.93 109.718 177.402 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 587' ' ' LYS . . . . . 0.439 ' HG2' HG12 ' A' ' 582' ' ' ILE . 38.1 mtmm -86.09 107.61 17.91 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.809 -0.441 . . . . 2.12 109.809 179.189 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 588' ' ' LEU . . . . . 0.452 HD11 HD12 ' A' ' 583' ' ' ILE . 38.8 mt -81.83 131.4 35.26 Favored 'General case' 0 CA--C 1.505 -0.762 0 CA-C-N 116.022 -0.535 . . . . 0.28 110.113 -178.027 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 34.6 tp -83.64 107.62 16.2 Favored 'General case' 0 N--CA 1.434 -1.24 0 N-CA-C 108.414 -0.958 . . . . 0.38 108.414 171.53 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 590' ' ' ILE . . . . . . . . . . . . . 59.6 mt -95.88 115.18 34.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 N-CA-C 107.791 -1.188 . . . . 0.17 107.791 176.141 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 591' ' ' ARG . . . . . 0.784 ' HA ' HG13 ' A' ' 573' ' ' VAL . 20.4 ptt180 -143.88 161.39 38.81 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.708 0.633 . . . . 3.0 112.708 -171.871 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 592' ' ' MET . . . . . 0.657 ' HG2' HG11 ' A' ' 573' ' ' VAL . 0.3 OUTLIER -63.28 139.27 58.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.377 -0.828 . . . . 0.33 110.63 -174.429 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 31.3 t -87.16 127.05 35.15 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 110.053 -0.351 . . . . 1.04 110.053 177.373 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 21.1 p -93.71 -18.25 22.32 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.114 -0.494 . . . . 1.6 110.761 178.076 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -84.04 -41.81 16.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.044 -0.525 . . . . 2.94 110.972 -178.309 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -108.06 133.39 52.42 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 110.032 -0.358 . . . . 0.93 110.032 -179.44 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 12.2 ttpp -91.85 -41.64 10.52 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.402 -0.592 . . . . 3.4 109.402 172.568 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 598' ' ' GLU . . . . . 0.446 ' HA ' ' OE2' ' A' ' 562' ' ' GLU . 0.0 OUTLIER -146.19 149.9 34.83 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.575 -0.739 . . . . 2.02 110.419 179.682 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 599' ' ' LEU . . . . . 0.538 ' HG ' HG22 ' A' ' 521' ' ' VAL . 37.0 mt . . . . . 0 C--N 1.322 -0.599 0 CA-C-O 121.192 0.52 . . . . 1.02 112.196 -177.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.755 0 N-CA-C 112.077 -0.409 . . . . 6.72 112.077 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . 58.54 34.66 24.07 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.182 0.515 . . . . 5.43 111.319 -179.633 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 512' ' ' MET . . . . . 0.417 ' SD ' ' HG3' ' A' ' 606' ' ' LYS . 0.0 OUTLIER -150.41 162.95 39.57 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.929 -0.578 . . . . 6.23 110.494 -178.733 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . 61.29 -174.61 0.13 Allowed 'General case' 0 C--O 1.234 0.245 0 O-C-N 123.89 0.744 . . . . 2.28 111.995 178.527 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 514' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 48.17 67.58 0.82 Allowed 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 115.779 -0.646 . . . . 5.14 110.439 -177.534 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 29.7 mmm180 -66.92 -36.41 82.18 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.059 -0.973 . . . . 6.6 110.769 -175.016 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -107.6 147.21 30.93 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.645 -0.707 . . . . 5.25 109.664 170.375 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -75.56 69.17 2.07 Favored Glycine 0 N--CA 1.452 -0.265 0 CA-C-N 116.171 -0.468 . . . . 3.29 113.412 -173.526 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 518' ' ' ALA . . . . . . . . . . . . . . . -150.73 -78.92 0.13 Allowed 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 110.205 -0.295 . . . . 2.38 110.205 177.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 82.65 142.29 4.31 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.733 -0.746 . . . . 1.58 112.834 178.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 63.9 mtt180 -154.77 141.71 19.2 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 122.892 0.477 . . . . 2.39 110.048 175.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 521' ' ' VAL . . . . . 0.485 HG22 ' HG ' ' A' ' 599' ' ' LEU . 99.3 t -103.87 134.71 44.37 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 115.827 -0.624 . . . . 0.44 110.476 177.575 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 522' ' ' VAL . . . . . 0.419 HG13 ' O ' ' A' ' 591' ' ' ARG . 83.5 t -103.95 132.29 50.75 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.924 0 CA-C-N 115.448 -0.797 . . . . 0.25 109.409 172.793 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 -106.0 132.43 52.1 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.347 -0.612 . . . . 1.75 109.347 178.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 524' ' ' ILE . . . . . 0.518 HD12 HG13 ' A' ' 537' ' ' VAL . 77.1 mt -113.57 129.65 69.0 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-N 115.859 -0.609 . . . . 0.28 110.409 -177.763 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 525' ' ' CYS . . . . . 0.466 ' SG ' ' HB3' ' A' ' 589' ' ' LEU . 25.1 p -119.01 176.35 5.33 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.674 -0.694 . . . . 1.28 110.545 -176.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 17.4 m120 69.37 26.88 5.17 Favored 'General case' 0 N--CA 1.466 0.346 0 O-C-N 123.779 0.674 . . . . 1.22 110.681 179.577 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 80.6 mt -87.53 120.12 70.98 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 115.693 -0.685 . . . . 0.6 110.875 -178.114 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 528' ' ' PRO . . . . . 0.725 ' HD2' ' SG ' ' A' ' 532' ' ' CYS . 11.3 Cg_exo -70.83 129.91 17.2 Favored 'Trans proline' 0 N--CA 1.458 -0.612 0 C-N-CA 122.162 1.908 . . . . 0.62 111.52 171.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 529' ' ' GLU . . . . . 0.501 ' CD ' ' H ' ' A' ' 529' ' ' GLU . 1.5 pm0 -70.32 129.11 38.43 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.859 0.362 . . . . 2.98 110.562 175.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 90.28 -18.78 46.99 Favored Glycine 0 N--CA 1.448 -0.526 0 CA-C-N 116.049 -0.523 . . . . 0.94 113.252 177.606 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 531' ' ' SER . . . . . 0.443 ' HB2' ' HB2' ' A' ' 528' ' ' PRO . 14.3 m -95.74 -36.9 11.01 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 117.308 0.554 . . . . 1.17 111.028 -178.101 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 532' ' ' CYS . . . . . 0.725 ' SG ' ' HD2' ' A' ' 528' ' ' PRO . 59.8 m -87.55 142.96 27.45 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.188 -0.46 . . . . 0.77 110.088 175.766 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 66.9 p -105.53 170.08 8.1 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.267 -0.642 . . . . 0.54 109.267 173.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -57.67 -38.33 74.94 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.274 0.559 . . . . 1.32 109.814 177.158 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 35.0 m-80 -64.45 -42.97 95.66 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-N 115.231 -0.895 . . . . 1.95 111.329 -176.533 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 536' ' ' ASP . . . . . 0.545 ' O ' ' HG ' ' A' ' 540' ' ' LEU . 45.3 m-20 -58.86 -46.06 88.67 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 120.826 0.346 . . . . 0.52 111.085 -175.537 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 537' ' ' VAL . . . . . 0.518 HG13 HD12 ' A' ' 524' ' ' ILE . 45.7 t -62.01 -45.49 98.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.719 -0.673 . . . . 0.25 110.345 -178.101 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 84.1 mt -67.27 -45.94 85.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.683 -0.69 . . . . 0.24 110.795 179.097 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 539' ' ' ASN . . . . . 0.537 ' O ' ' HD3' ' A' ' 543' ' ' PRO . 95.9 m-20 -64.97 -27.45 68.84 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.65 -0.705 . . . . 1.07 111.822 -176.716 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 540' ' ' LEU . . . . . 0.545 ' HG ' ' O ' ' A' ' 536' ' ' ASP . 71.5 mt -74.48 -30.47 61.85 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 111.705 0.261 . . . . 0.36 111.705 177.463 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -79.45 -40.17 16.39 Favored Glycine 0 CA--C 1.519 0.299 0 C-N-CA 120.321 -0.942 . . . . 0.22 112.167 179.475 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 542' ' ' LEU . . . . . 0.558 ' HA ' ' O ' ' A' ' 545' ' ' GLY . 87.3 mt -47.89 -45.77 62.24 Favored Pre-proline 0 CA--C 1.543 0.707 0 N-CA-C 114.923 1.453 . . . . 0.25 114.923 -175.755 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 543' ' ' PRO . . . . . 0.537 ' HD3' ' O ' ' A' ' 539' ' ' ASN . 81.3 Cg_exo -50.23 -34.38 39.64 Favored 'Trans proline' 0 C--N 1.358 1.072 0 C-N-CA 122.141 1.894 . . . . 0.19 115.188 -171.425 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -111.06 -16.53 13.47 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.771 0.656 . . . . 0.35 112.771 178.571 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 545' ' ' GLY . . . . . 0.558 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . -153.94 140.91 7.84 Favored Glycine 0 CA--C 1.524 0.652 0 C-N-CA 120.832 -0.699 . . . . 1.14 112.927 175.179 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 546' ' ' LYS . . . . . 0.554 ' HB2' ' OD2' ' A' ' 614' ' ' ASP . 4.7 ttmp? -71.31 140.47 50.3 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.005 0.431 . . . . 1.56 111.944 -178.652 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 547' ' ' VAL . . . . . 0.49 ' HA ' ' O ' ' A' ' 562' ' ' GLU . 87.3 t -105.35 136.28 39.98 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.561 0 CA-C-N 115.333 -0.849 . . . . 0.25 109.695 178.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 66.0 p -107.05 -38.45 6.02 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 120.633 -0.427 . . . . 0.37 110.881 177.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -147.24 166.28 27.51 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.258 -0.428 . . . . 1.43 110.194 -172.544 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 47.6 p90 -150.01 151.4 33.24 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.745 0.307 . . . . 0.47 110.99 179.297 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 551' ' ' ILE . . . . . 0.457 HD12 HD22 ' A' ' 599' ' ' LEU . 34.9 mt -131.38 124.84 55.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 109.132 -0.692 . . . . 0.37 109.132 173.194 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 552' ' ' LEU . . . . . . . . . . . . . 65.0 mt -111.33 111.57 22.72 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.319 -0.4 . . . . 0.45 111.425 -175.031 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 64.8 mtt -108.1 86.52 2.31 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.534 0.683 . . . . 1.18 109.85 175.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -67.65 -29.37 68.66 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.173 -0.922 . . . . 1.45 110.453 -178.596 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 61.1 p -59.27 -35.95 74.65 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.553 -0.748 . . . . 1.11 111.515 178.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 556' ' ' THR . . . . . 0.464 ' O ' ' HG2' ' A' ' 558' ' ' GLN . 70.1 p -100.3 5.13 44.5 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.659 0.266 . . . . 0.88 111.212 178.651 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 57.4 42.85 24.13 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 115.701 -0.681 . . . . 2.35 110.464 -177.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 558' ' ' GLN . . . . . 0.464 ' HG2' ' O ' ' A' ' 556' ' ' THR . 11.9 mm100 -138.42 150.69 46.76 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.29 -0.413 . . . . 2.07 110.704 -174.422 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -129.94 143.85 51.01 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.338 -0.392 . . . . 0.27 110.436 177.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 560' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -122.31 132.72 54.54 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.938 -0.574 . . . . 0.33 109.697 179.167 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 561' ' ' LEU . . . . . 0.482 ' HB3' ' HE1' ' A' ' 563' ' ' MET . 14.2 tp -126.76 133.55 50.82 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 116.177 -0.465 . . . . 0.22 110.024 -172.611 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 562' ' ' GLU . . . . . 0.49 ' O ' ' HA ' ' A' ' 547' ' ' VAL . 8.1 tp10 -101.62 138.82 38.1 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 122.627 0.371 . . . . 1.85 111.044 -175.849 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 563' ' ' MET . . . . . 0.554 ' HE2' ' SD ' ' A' ' 572' ' ' MET . 0.4 OUTLIER -113.94 139.82 48.9 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.741 0.781 . . . . 0.96 111.636 -178.415 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -63.69 -30.26 71.38 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 114.718 -1.128 . . . . 0.36 111.581 -177.615 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -131.41 140.94 49.75 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.504 -0.925 . . . . 1.27 108.504 -177.418 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 566' ' ' THR . . . . . 0.472 ' O ' ' HG3' ' A' ' 570' ' ' GLN . 9.9 t -65.16 -31.61 72.88 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.296 -0.411 . . . . 0.52 110.334 -179.607 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -66.58 -34.29 77.56 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-O 120.828 0.347 . . . . 1.91 110.481 175.417 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 568' ' ' ALA . . . . . 0.529 ' HB1' ' CA ' ' A' ' 545' ' ' GLY . . . -62.8 -44.77 95.3 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.009 -0.541 . . . . 0.28 110.296 -179.111 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -67.89 -45.29 74.86 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.795 -0.639 . . . . 0.19 111.27 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 570' ' ' GLN . . . . . 0.636 ' O ' ' HG2' ' A' ' 574' ' ' GLN . 76.5 mt-30 -64.52 -47.36 79.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.274 -0.421 . . . . 1.21 110.905 -179.03 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -62.72 -43.72 98.08 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 116.04 -0.527 . . . . 0.31 111.723 -175.703 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 572' ' ' MET . . . . . 0.554 ' SD ' ' HE2' ' A' ' 563' ' ' MET . 14.8 ptp -65.75 -45.04 84.05 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 116.378 -0.373 . . . . 0.62 110.694 -177.269 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 573' ' ' VAL . . . . . 0.728 HG13 ' HA ' ' A' ' 591' ' ' ARG . 51.4 t -66.88 -38.37 81.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.353 -0.385 . . . . 0.21 111.672 -175.354 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 574' ' ' GLN . . . . . 0.636 ' HG2' ' O ' ' A' ' 570' ' ' GLN . 83.7 mm-40 -60.1 -36.49 77.53 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.511 -0.552 . . . . 1.9 109.511 177.446 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 47.8 t80 -69.29 -48.94 60.21 Favored 'General case' 0 C--O 1.217 -0.654 0 CA-C-N 116.114 -0.494 . . . . 0.52 110.86 173.599 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 576' ' ' TYR . . . . . 0.506 ' CE1' ' HB2' ' A' ' 572' ' ' MET . 20.8 m-85 -74.7 -17.07 60.72 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 112.814 0.672 . . . . 0.34 112.814 -172.554 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -79.35 -25.0 42.35 Favored 'General case' 0 C--N 1.315 -0.915 0 C-N-CA 120.232 -0.587 . . . . 1.84 110.461 173.44 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -96.08 -39.13 9.88 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.117 -0.492 . . . . 2.07 111.017 177.436 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 53.7 mtpt -131.22 83.0 61.28 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 115.804 -0.635 . . . . 2.07 109.685 174.388 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_exo -70.58 159.59 52.28 Favored 'Trans proline' 0 C--O 1.234 0.32 0 C-N-CA 123.238 2.625 . . . . 0.19 112.331 -175.667 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -93.08 148.77 21.73 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.389 -0.369 . . . . 0.2 110.48 -175.116 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 56.0 mt -122.01 132.98 69.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.37 -0.377 . . . . 0.54 111.646 -172.566 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 583' ' ' ILE . . . . . 0.467 HD12 HD11 ' A' ' 588' ' ' LEU . 55.7 mt -121.34 116.07 48.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.018 -0.537 . . . . 0.73 110.518 173.034 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 59.33 38.0 23.23 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 116.102 -0.499 . . . . 1.46 111.31 176.393 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 84.36 -0.09 89.36 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.589 -0.815 . . . . 0.67 112.733 178.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 586' ' ' GLU . . . . . 0.423 ' HG3' ' HG3' ' A' ' 528' ' ' PRO . 13.0 mm-40 -100.64 125.6 47.06 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.516 -0.549 . . . . 1.93 109.516 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -86.63 110.07 19.6 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.217 -0.447 . . . . 2.12 110.491 -177.069 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 588' ' ' LEU . . . . . 0.467 HD11 HD12 ' A' ' 583' ' ' ILE . 27.2 mt -85.45 123.35 30.79 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.411 -0.589 . . . . 0.28 109.411 178.544 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 589' ' ' LEU . . . . . 0.466 ' HB3' ' SG ' ' A' ' 525' ' ' CYS . 43.7 tp -83.63 108.0 16.44 Favored 'General case' 0 N--CA 1.433 -1.301 0 N-CA-C 107.843 -1.169 . . . . 0.38 107.843 170.44 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 590' ' ' ILE . . . . . . . . . . . . . 55.0 mt -95.54 114.85 33.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 N-CA-C 107.616 -1.253 . . . . 0.17 107.616 177.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 591' ' ' ARG . . . . . 0.728 ' HA ' HG13 ' A' ' 573' ' ' VAL . 15.3 ptm180 -148.63 164.02 35.54 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.155 0.502 . . . . 3.0 112.264 -169.788 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 592' ' ' MET . . . . . 0.639 ' HA ' ' HE2' ' A' ' 592' ' ' MET . 0.4 OUTLIER -63.44 135.96 57.28 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.463 -0.789 . . . . 0.33 110.566 -176.255 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 40.2 t -86.56 130.51 34.47 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.69 -0.485 . . . . 1.04 109.69 176.353 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 20.2 p -92.5 -22.03 19.8 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.188 -0.46 . . . . 1.6 110.887 179.443 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 13.5 mtm180 -82.32 -41.31 20.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 2.94 110.984 -175.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -107.2 133.36 51.9 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.45 -0.341 . . . . 0.93 110.336 -175.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 51.1 mtmt -91.72 -29.33 16.89 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.081 -0.509 . . . . 3.4 110.136 175.217 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -159.89 151.11 19.52 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.347 -0.842 . . . . 2.02 109.288 -179.216 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 599' ' ' LEU . . . . . 0.485 ' HG ' HG22 ' A' ' 521' ' ' VAL . 87.2 mt -91.24 103.91 16.52 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.196 0.522 . . . . 1.02 110.329 179.095 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 63.4 mt-30 -89.73 86.93 6.81 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.415 -0.811 . . . . 2.87 109.723 -177.342 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 36.1 mt -73.45 124.37 25.68 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.23 0.538 . . . . 1.47 110.579 -178.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 602' ' ' LYS . . . . . 0.631 ' H ' ' HD2' ' A' ' 602' ' ' LYS . 0.0 OUTLIER -101.42 31.91 3.54 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 121.874 0.845 . . . . 5.4 109.183 177.773 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 48.5 mtmt -127.5 149.44 70.09 Favored Pre-proline 0 C--N 1.324 -0.541 0 CA-C-N 114.558 -1.201 . . . . 5.81 109.282 179.082 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 604' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_exo -62.28 128.48 23.96 Favored 'Trans proline' 0 C--O 1.233 0.259 0 C-N-CA 122.359 2.04 . . . . 6.24 111.162 175.091 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 605' ' ' GLY . . . . . . . . . . . . . . . -163.85 178.57 39.24 Favored Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 120.393 -0.908 . . . . 6.9 112.34 -178.451 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 606' ' ' LYS . . . . . 0.565 ' HA ' ' HE3' ' A' ' 606' ' ' LYS . 0.0 OUTLIER 64.95 33.96 9.39 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 122.868 0.467 . . . . 8.87 111.231 179.381 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -113.06 134.3 54.59 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.081 -0.509 . . . . 9.21 109.935 177.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 47.8 t 71.38 -58.35 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 O-C-N 123.699 0.625 . . . . 9.63 111.23 -179.071 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -72.55 91.68 1.43 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.335 0.588 . . . . 9.47 110.639 179.327 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -82.89 101.49 11.04 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.797 -0.638 . . . . 9.11 109.862 176.463 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 611' ' ' ILE . . . . . 0.406 HD12 ' HE2' ' A' ' 606' ' ' LYS . 51.0 mt -77.25 59.89 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-O 122.18 0.991 . . . . 8.31 109.365 178.064 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 612' ' ' ILE . . . . . 0.492 ' O ' HG22 ' A' ' 612' ' ' ILE . 38.4 mt -117.41 28.76 2.87 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.696 0 CA-C-O 122.61 1.195 . . . . 8.86 109.115 -178.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -100.58 76.86 1.86 Allowed 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 114.363 -1.29 . . . . 10.28 109.182 178.463 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 614' ' ' ASP . . . . . 0.554 ' OD2' ' HB2' ' A' ' 546' ' ' LYS . 24.0 t70 175.5 136.65 0.05 OUTLIER 'General case' 0 N--CA 1.439 -1.011 0 N-CA-C 108.514 -0.921 . . . . 10.41 108.514 -168.31 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 615' ' ' ILE . . . . . 0.499 ' O ' ' HB2' ' A' ' 616' ' ' HIS . 15.5 tt -51.46 159.55 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.308 -1.229 0 CA-C-N 115.139 -0.937 . . . . 8.61 111.635 176.148 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 616' ' ' HIS . . . . . 0.499 ' HB2' ' O ' ' A' ' 615' ' ' ILE . 36.1 m80 77.92 18.94 1.15 Allowed 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.604 0.762 . . . . 6.75 111.086 -178.64 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 32.9 m -104.69 -63.49 1.21 Allowed 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.689 -0.232 . . . . 6.99 110.882 179.61 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 618' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 63.01 91.24 0.07 Allowed 'General case' 0 C--O 1.237 0.427 0 O-C-N 123.819 0.7 . . . . 9.26 111.33 -177.261 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 54.7 mtm180 74.67 131.33 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 115.017 -0.992 . . . . 12.9 111.947 176.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 620' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -74.27 127.95 34.28 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.866 -0.606 . . . . 11.34 110.406 177.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 32.6 mmm180 . . . . . 0 C--O 1.247 0.946 0 CA-C-O 118.282 -0.866 . . . . 11.46 109.912 -179.442 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 510' ' ' GLY . . . . . 0.4 ' HA3' ' HB3' ' A' ' 513' ' ' ALA . . . . . . . . 0 N--CA 1.484 1.834 0 N-CA-C 111.655 -0.578 . . . . 6.72 111.655 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . -56.89 -71.78 0.09 Allowed 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.715 0.293 . . . . 5.43 111.189 -177.493 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 512' ' ' MET . . . . . 0.511 ' HB2' ' OD1' ' A' ' 549' ' ' ASN . 2.1 mpt? -105.21 14.86 28.38 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.284 0.564 . . . . 6.23 110.047 176.132 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 513' ' ' ALA . . . . . 0.582 ' HB2' ' ND2' ' A' ' 549' ' ' ASN . . . -101.89 114.24 28.16 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.526 -0.761 . . . . 2.28 110.598 -179.257 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 514' ' ' GLN . . . . . 0.455 ' C ' ' H ' ' A' ' 516' ' ' LYS . 23.4 mp0 -69.08 -22.38 64.0 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-N 115.321 -0.854 . . . . 5.14 110.656 179.101 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 52.6 mtp180 74.21 -35.42 0.3 Allowed 'General case' 0 N--CA 1.463 0.22 0 O-C-N 124.373 1.045 . . . . 6.6 109.057 -166.489 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 516' ' ' LYS . . . . . 0.455 ' H ' ' C ' ' A' ' 514' ' ' GLN . 9.6 mttm 71.71 18.87 5.12 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.335 -0.848 . . . . 5.25 111.094 164.871 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . 80.21 -16.19 14.01 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.766 -0.73 . . . . 3.29 111.607 -175.167 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 518' ' ' ALA . . . . . . . . . . . . . . . -173.03 -69.47 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.159 -0.682 . . . . 2.38 109.159 -176.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 76.57 158.56 8.59 Favored Glycine 0 N--CA 1.448 -0.511 0 CA-C-N 115.612 -0.722 . . . . 1.58 113.794 172.669 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 87.4 mtt180 -141.76 142.52 33.25 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.39 -0.405 . . . . 2.39 110.083 176.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 69.1 t -110.21 136.25 46.76 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 115.725 -0.671 . . . . 0.44 109.717 175.098 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 522' ' ' VAL . . . . . 0.456 HG22 ' HE3' ' A' ' 592' ' ' MET . 68.5 t -101.64 134.81 40.94 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 N-CA-C 110.042 -0.355 . . . . 0.25 110.042 178.585 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 13.5 p-80 -112.88 139.89 48.14 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.34 0.59 . . . . 1.75 110.86 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 524' ' ' ILE . . . . . 0.693 HD12 HG13 ' A' ' 537' ' ' VAL . 69.1 mt -115.92 131.47 68.26 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.872 0 CA-C-N 115.105 -0.952 . . . . 0.28 110.196 -179.62 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 20.7 m -113.81 175.01 5.65 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.062 -0.517 . . . . 1.28 110.671 -174.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 16.1 m120 64.33 31.28 12.96 Favored 'General case' 0 N--CA 1.465 0.309 0 O-C-N 123.628 0.58 . . . . 1.22 111.53 177.583 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 527' ' ' LEU . . . . . 0.428 HD21 HD13 ' A' ' 588' ' ' LEU . 85.3 mt -86.39 120.48 72.18 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 116.375 -0.375 . . . . 0.6 110.762 -178.676 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 528' ' ' PRO . . . . . 0.604 ' HD2' ' SG ' ' A' ' 532' ' ' CYS . 36.1 Cg_endo -68.34 131.94 24.54 Favored 'Trans proline' 0 C--O 1.237 0.427 0 C-N-CA 122.654 2.236 . . . . 0.62 112.474 177.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.67 133.07 47.91 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.451 -0.795 . . . . 2.98 111.247 177.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 87.01 -17.69 40.19 Favored Glycine 0 N--CA 1.445 -0.735 0 C-N-CA 120.667 -0.778 . . . . 0.94 113.606 175.32 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 10.0 t -105.11 -36.27 7.33 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 117.648 0.724 . . . . 1.17 111.143 -178.291 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 532' ' ' CYS . . . . . 0.604 ' SG ' ' HD2' ' A' ' 528' ' ' PRO . 82.0 m -86.77 128.74 35.04 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.853 0.359 . . . . 0.77 110.879 175.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 81.6 p -106.51 170.94 7.63 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.995 -0.548 . . . . 0.54 109.815 177.755 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 534' ' ' GLU . . . . . 0.437 ' H ' ' HG3' ' A' ' 534' ' ' GLU . 14.4 mt-10 -51.65 -45.4 63.33 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.212 0.53 . . . . 1.32 110.241 178.331 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 17.5 m-80 -60.28 -43.39 96.26 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.069 -0.969 . . . . 1.95 112.205 -173.036 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 536' ' ' ASP . . . . . 0.512 ' O ' ' HG ' ' A' ' 540' ' ' LEU . 31.9 m-20 -62.44 -46.64 87.63 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 121.112 0.482 . . . . 0.52 110.774 -172.178 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 537' ' ' VAL . . . . . 0.693 HG13 HD12 ' A' ' 524' ' ' ILE . 59.4 t -62.25 -40.79 89.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.205 -0.907 . . . . 0.25 110.138 -178.272 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 86.7 mt -66.86 -42.82 89.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.659 -0.701 . . . . 0.24 110.485 177.499 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -61.55 -29.08 69.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.769 -0.65 . . . . 1.07 111.95 -179.074 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 540' ' ' LEU . . . . . 0.512 ' HG ' ' O ' ' A' ' 536' ' ' ASP . 42.9 mt -73.05 -38.93 66.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.703 -0.226 . . . . 0.36 111.472 -179.288 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -76.71 -39.73 28.46 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.617 -0.802 . . . . 0.22 112.83 -176.667 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 542' ' ' LEU . . . . . 0.482 ' HA ' ' O ' ' A' ' 545' ' ' GLY . 79.8 mt -47.71 -45.28 59.52 Favored Pre-proline 0 N--CA 1.471 0.608 0 N-CA-C 114.707 1.373 . . . . 0.25 114.707 -173.13 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 543' ' ' PRO . . . . . 0.408 ' HD2' ' O ' ' A' ' 540' ' ' LEU . 56.9 Cg_exo -47.44 -34.09 18.68 Favored 'Trans proline' 0 C--N 1.36 1.135 0 C-N-CA 122.247 1.965 . . . . 0.19 115.188 -173.871 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 544' ' ' PHE . . . . . 0.521 ' HB2' ' CB ' ' A' ' 572' ' ' MET . 67.7 m-85 -111.42 -19.52 12.56 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.036 -0.665 . . . . 0.35 112.766 176.255 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 545' ' ' GLY . . . . . 0.482 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . -149.25 126.15 2.17 Favored Glycine 0 CA--C 1.521 0.434 0 C-N-CA 120.503 -0.856 . . . . 1.14 113.801 177.719 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 546' ' ' LYS . . . . . 0.443 ' O ' ' HA ' ' A' ' 563' ' ' MET . 55.7 tptt -57.01 140.24 49.65 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 123.144 0.578 . . . . 1.56 111.31 174.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 547' ' ' VAL . . . . . 0.454 ' HA ' ' O ' ' A' ' 562' ' ' GLU . 90.1 t -100.0 135.28 36.38 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.474 0 CA-C-N 115.892 -0.595 . . . . 0.25 110.855 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 32.6 p -107.52 -32.38 7.73 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.238 -0.437 . . . . 0.37 111.612 176.751 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 549' ' ' ASN . . . . . 0.582 ' ND2' ' HB2' ' A' ' 513' ' ' ALA . 70.2 m-20 -146.91 165.09 30.84 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-N 116.371 -0.377 . . . . 1.43 110.728 -175.656 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 47.1 p90 -151.42 149.16 28.97 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.255 -0.429 . . . . 0.47 109.985 173.42 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 551' ' ' ILE . . . . . 0.48 HD12 HD22 ' A' ' 599' ' ' LEU . 14.8 mt -138.62 124.36 23.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 N-CA-C 109.211 -0.662 . . . . 0.37 109.211 175.172 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 552' ' ' LEU . . . . . . . . . . . . . 85.3 mt -103.91 112.85 25.99 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.976 -0.557 . . . . 0.45 111.401 -173.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 25.3 mmt -107.32 84.22 1.94 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.545 0.688 . . . . 1.18 109.416 174.669 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 31.9 mmtp -68.72 -29.01 67.34 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.382 -0.826 . . . . 1.45 110.768 -178.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 67.3 p -61.82 -32.11 72.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.766 -0.652 . . . . 1.11 111.697 179.13 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 70.2 p -103.9 9.3 36.82 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 120.994 0.426 . . . . 0.88 110.856 178.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 56.68 40.27 29.32 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 115.104 -0.953 . . . . 2.35 111.723 178.047 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -145.85 157.71 43.9 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-O 121.104 0.478 . . . . 2.07 110.917 -176.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -129.98 143.84 51.01 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 116.177 -0.465 . . . . 0.27 110.395 178.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 560' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -111.78 128.64 56.16 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.18 -0.463 . . . . 0.33 109.816 178.751 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 561' ' ' LEU . . . . . 0.501 ' HB3' ' HE1' ' A' ' 563' ' ' MET . 15.9 tp -124.11 131.1 53.51 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 115.947 -0.57 . . . . 0.22 109.839 -175.625 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 562' ' ' GLU . . . . . 0.454 ' O ' ' HA ' ' A' ' 547' ' ' VAL . 27.8 tt0 -102.36 137.77 40.17 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.571 0.224 . . . . 1.85 110.504 -177.743 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 563' ' ' MET . . . . . 0.512 ' HE2' ' SD ' ' A' ' 572' ' ' MET . 0.5 OUTLIER -107.08 151.58 25.17 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.439 -0.346 . . . . 0.96 111.004 -179.429 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -60.09 -43.2 95.7 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.059 0.457 . . . . 0.36 110.943 -177.579 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -118.57 151.66 37.47 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.652 -0.704 . . . . 1.27 109.112 -179.464 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 566' ' ' THR . . . . . 0.547 ' O ' ' HG3' ' A' ' 570' ' ' GLN . 9.3 t -61.8 -38.76 89.3 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.098 0.475 . . . . 0.52 109.977 175.845 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -66.52 -31.65 72.51 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 115.828 -0.624 . . . . 1.91 111.307 178.496 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 568' ' ' ALA . . . . . 0.433 ' HB1' ' CA ' ' A' ' 545' ' ' GLY . . . -61.66 -41.8 98.03 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.214 0.53 . . . . 0.28 109.574 177.084 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 569' ' ' ALA . . . . . 0.449 ' O ' ' HG2' ' A' ' 572' ' ' MET . . . -68.65 -45.26 72.26 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.276 -0.875 . . . . 0.19 111.384 177.782 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 570' ' ' GLN . . . . . 0.547 ' HG3' ' O ' ' A' ' 566' ' ' THR . 72.6 mt-30 -67.02 -46.45 74.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.463 -0.335 . . . . 1.21 111.27 -176.294 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -62.82 -38.76 92.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.097 -0.501 . . . . 0.31 111.354 -175.784 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 572' ' ' MET . . . . . 0.521 ' CB ' ' HB2' ' A' ' 544' ' ' PHE . 12.8 ptp -69.02 -45.77 69.63 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.688 -0.405 . . . . 0.62 110.439 -179.61 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 573' ' ' VAL . . . . . 0.612 HG13 ' HA ' ' A' ' 591' ' ' ARG . 94.8 t -67.05 -37.42 79.29 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.654 0 CA-C-N 116.27 -0.423 . . . . 0.21 111.364 -175.332 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 574' ' ' GLN . . . . . 0.45 ' HG2' ' O ' ' A' ' 570' ' ' GLN . 28.8 mm-40 -59.19 -37.4 77.32 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.318 -0.623 . . . . 1.9 109.318 176.648 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 76.8 t80 -68.94 -49.87 54.24 Favored 'General case' 0 C--O 1.217 -0.611 0 CA-C-N 116.184 -0.462 . . . . 0.52 111.161 173.361 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 576' ' ' TYR . . . . . 0.411 ' CE1' ' HB2' ' A' ' 572' ' ' MET . 23.7 m-85 -73.98 -17.28 61.02 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 112.983 0.734 . . . . 0.34 112.983 -172.787 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -74.13 -29.04 61.62 Favored 'General case' 0 C--N 1.317 -0.819 0 C-N-CA 120.585 -0.446 . . . . 1.84 110.386 173.565 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -97.77 -39.78 8.87 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.225 -0.443 . . . . 2.07 111.205 178.065 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 52.1 mtpt -130.1 82.91 64.88 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-N 115.988 -0.551 . . . . 2.07 109.784 176.306 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -70.36 160.61 48.95 Favored 'Trans proline' 0 CA--C 1.53 0.281 0 C-N-CA 123.868 3.045 . . . . 0.19 112.632 -175.142 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 581' ' ' ALA . . . . . 0.435 ' HB1' HD22 ' A' ' 540' ' ' LEU . . . -92.17 148.51 22.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.375 -0.375 . . . . 0.2 110.654 -174.803 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 66.2 mt -113.79 130.17 68.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 112.288 0.477 . . . . 0.54 112.288 -170.117 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 583' ' ' ILE . . . . . 0.45 HD12 HD11 ' A' ' 588' ' ' LEU . 45.4 mt -122.01 123.09 68.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.018 -0.537 . . . . 0.73 109.82 170.705 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 12.6 m120 59.26 34.42 23.03 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 122.9 0.48 . . . . 1.46 111.482 177.684 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 81.15 3.41 90.67 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.777 -0.725 . . . . 0.67 112.624 -179.574 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -103.32 126.85 50.7 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.874 0.369 . . . . 1.93 110.293 179.24 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 57.3 mttm -84.44 107.54 16.75 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.11 -0.495 . . . . 2.12 109.897 -179.368 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 588' ' ' LEU . . . . . 0.45 HD11 HD12 ' A' ' 583' ' ' ILE . 60.6 mt -85.02 129.05 34.86 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 116.185 -0.461 . . . . 0.28 109.942 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 36.8 tp -82.44 109.32 16.57 Favored 'General case' 0 N--CA 1.436 -1.173 0 N-CA-C 108.607 -0.886 . . . . 0.38 108.607 174.101 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 590' ' ' ILE . . . . . . . . . . . . . 58.5 mt -95.44 115.37 34.25 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 N-CA-C 107.786 -1.19 . . . . 0.17 107.786 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 591' ' ' ARG . . . . . 0.612 ' HA ' HG13 ' A' ' 573' ' ' VAL . 27.9 ptt180 -142.44 157.22 44.99 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 113.602 0.964 . . . . 3.0 113.602 -168.661 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 592' ' ' MET . . . . . 0.582 ' HG2' HG11 ' A' ' 573' ' ' VAL . 0.2 OUTLIER -66.77 132.18 47.52 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 114.607 -1.179 . . . . 0.33 111.254 -174.665 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 15.0 m -87.49 130.65 34.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.747 0.308 . . . . 1.04 110.555 174.32 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 11.2 p -89.49 -26.57 20.85 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.127 0.489 . . . . 1.6 110.483 176.55 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 78.9 mtp180 -74.6 -41.31 60.67 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.729 -0.669 . . . . 2.94 111.453 -179.044 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -106.95 129.89 54.69 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.05 0.452 . . . . 0.93 111.461 -176.409 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 50.9 mtmt -94.81 -38.04 10.94 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.837 0.827 . . . . 3.4 109.589 167.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -145.19 146.35 31.71 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.536 -1.211 . . . . 2.02 109.949 -173.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 599' ' ' LEU . . . . . 0.48 HD22 HD12 ' A' ' 551' ' ' ILE . 95.3 mt -93.95 108.06 19.9 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.254 0.55 . . . . 1.02 110.995 178.272 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 21.1 mm-40 -89.21 89.9 8.13 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.735 -0.666 . . . . 2.87 110.057 177.755 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 84.7 mt -61.19 122.1 14.21 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.448 -0.796 . . . . 1.47 110.373 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -81.18 68.14 7.37 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.459 0.647 . . . . 5.4 110.873 -176.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 44.2 mmtm -91.87 143.66 28.12 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-N 115.218 -0.901 . . . . 5.81 110.126 177.242 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 604' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -67.24 -17.87 50.29 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.875 2.383 . . . . 6.24 112.767 179.42 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 605' ' ' GLY . . . . . . . . . . . . . . . -99.31 -51.11 1.36 Allowed Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.864 -0.684 . . . . 6.9 112.429 179.057 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 35.2 mmtp 71.21 -71.76 0.13 Allowed 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 123.411 0.684 . . . . 8.87 110.871 -178.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -82.23 128.35 34.09 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.926 -0.579 . . . . 9.21 110.28 -178.318 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 38.7 t -67.5 -52.13 44.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 108.332 -0.988 . . . . 9.63 108.332 172.544 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -138.79 -47.12 0.49 Allowed 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 115.072 -0.967 . . . . 9.47 109.762 167.76 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 610' ' ' ALA . . . . . 0.401 ' O ' ' HB3' ' A' ' 620' ' ' GLU . . . -162.76 105.35 1.06 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.882 -0.599 . . . . 9.11 110.814 -179.41 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 611' ' ' ILE . . . . . 0.481 HG23 HE21 ' A' ' 618' ' ' GLN . 72.1 mt -75.94 91.4 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 121.196 0.522 . . . . 8.31 110.13 179.736 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 612' ' ' ILE . . . . . . . . . . . . . 64.7 mt -99.97 96.42 4.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 121.315 0.578 . . . . 8.86 110.591 -179.477 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -85.56 83.98 7.74 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.51 -0.768 . . . . 10.28 109.644 177.427 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -70.24 -77.34 0.09 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.833 -0.621 . . . . 10.41 111.113 -176.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 615' ' ' ILE . . . . . . . . . . . . . 46.3 mm -101.12 -70.31 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 109.332 -0.618 . . . . 8.61 109.332 175.434 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 35.7 m80 -134.64 -55.45 0.83 Allowed 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.781 -0.822 . . . . 6.75 108.781 171.306 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 19.3 m -58.78 131.86 52.19 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 115.257 -0.883 . . . . 6.99 110.948 178.288 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 618' ' ' GLN . . . . . 0.481 HE21 HG23 ' A' ' 611' ' ' ILE . 43.7 mt-30 -81.17 -75.69 0.27 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.549 -0.75 . . . . 9.26 109.709 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 83.3 mtt180 52.48 61.25 3.29 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.784 -0.644 . . . . 12.9 112.329 174.773 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 620' ' ' GLU . . . . . 0.401 ' HB3' ' O ' ' A' ' 610' ' ' ALA . 1.3 pt-20 -69.36 139.51 54.19 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.962 -0.295 . . . . 11.34 110.496 176.403 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 80.8 mtm180 . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.774 -0.632 . . . . 11.46 111.083 -179.582 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.579 0 N-CA-C 111.993 -0.443 . . . . 6.72 111.993 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . -98.02 22.55 9.21 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.902 0.382 . . . . 5.43 110.846 -179.538 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 512' ' ' MET . . . . . 0.544 ' SD ' ' HA ' ' A' ' 604' ' ' PRO . 27.1 ttt -64.16 -35.05 79.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.879 -0.6 . . . . 6.23 111.236 -177.292 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -144.82 -173.12 3.98 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.384 -0.371 . . . . 2.28 110.895 177.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 514' ' ' GLN . . . . . . . . . . . . . 77.3 mm-40 72.75 111.66 0.06 Allowed 'General case' 0 CA--C 1.516 -0.336 0 O-C-N 124.316 1.01 . . . . 5.14 110.962 176.78 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 515' ' ' ARG . . . . . 0.44 ' NE ' ' HA ' ' A' ' 615' ' ' ILE . 31.9 mmt180 -126.46 -32.58 2.65 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.158 -0.928 . . . . 6.6 110.699 -176.391 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 32.8 mmtp -94.5 14.39 20.94 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.168 -0.469 . . . . 5.25 111.732 174.349 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . 56.89 34.08 64.71 Favored Glycine 0 C--N 1.33 0.225 0 C-N-CA 121.162 -0.542 . . . . 3.29 112.486 -179.06 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 518' ' ' ALA . . . . . . . . . . . . . . . -154.72 -73.0 0.12 Allowed 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.809 -0.441 . . . . 2.38 109.809 -176.211 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 68.85 169.37 5.81 Favored Glycine 0 N--CA 1.451 -0.357 0 CA-C-N 115.819 -0.628 . . . . 1.58 113.038 175.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 59.6 mtt180 -155.31 141.57 18.52 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.999 -0.371 . . . . 2.39 109.999 178.534 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 521' ' ' VAL . . . . . 0.415 HG22 ' HG ' ' A' ' 599' ' ' LEU . 99.0 t -95.35 131.32 42.47 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.793 0 CA-C-N 116.006 -0.543 . . . . 0.44 109.564 176.013 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 522' ' ' VAL . . . . . 0.429 HG21 ' HE3' ' A' ' 563' ' ' MET . 61.0 t -101.72 133.21 45.86 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.083 0 CA-C-N 115.512 -0.767 . . . . 0.25 109.599 177.728 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 12.4 t-80 -106.28 121.12 43.57 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.891 -0.595 . . . . 1.75 109.658 -177.628 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 524' ' ' ILE . . . . . 0.464 HD12 HG13 ' A' ' 537' ' ' VAL . 77.6 mt -103.2 126.95 57.48 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.87 0 CA-C-N 115.998 -0.546 . . . . 0.28 109.847 -179.18 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 34.6 m -114.84 173.75 6.32 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.653 -0.703 . . . . 1.28 110.982 -174.766 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 19.0 m120 65.03 27.88 12.52 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 115.566 -0.743 . . . . 1.22 111.115 178.255 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 527' ' ' LEU . . . . . 0.566 ' O ' ' HB3' ' A' ' 557' ' ' ASN . 80.4 mt -80.26 120.65 80.18 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-O 120.802 0.334 . . . . 0.6 111.112 -177.367 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 528' ' ' PRO . . . . . 0.516 ' HD2' ' SG ' ' A' ' 532' ' ' CYS . 28.3 Cg_endo -69.67 130.85 20.17 Favored 'Trans proline' 0 C--O 1.238 0.499 0 C-N-CA 122.31 2.007 . . . . 0.62 111.858 172.472 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 529' ' ' GLU . . . . . 0.438 ' HB3' ' OD1' ' A' ' 557' ' ' ASN . 1.0 OUTLIER -69.24 137.69 53.35 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.442 -0.345 . . . . 2.98 110.613 177.432 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 79.0 -18.02 6.6 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 121.125 -0.559 . . . . 0.94 113.109 177.04 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 531' ' ' SER . . . . . 0.458 ' HB3' ' ND2' ' A' ' 584' ' ' ASN . 14.7 m -92.11 -35.18 14.03 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.122 0.487 . . . . 1.17 110.522 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 532' ' ' CYS . . . . . 0.516 ' SG ' ' HD2' ' A' ' 528' ' ' PRO . 38.8 m -86.52 131.32 34.21 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.806 -0.634 . . . . 0.77 110.893 -179.463 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 44.0 p -106.11 167.18 9.98 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.277 -0.638 . . . . 0.54 109.277 174.141 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -57.17 -45.4 83.69 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.266 0.555 . . . . 1.32 109.801 178.76 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -62.66 -43.18 99.46 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.087 -0.96 . . . . 1.95 111.767 -176.438 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 536' ' ' ASP . . . . . 0.583 ' O ' ' HG ' ' A' ' 540' ' ' LEU . 50.1 m-20 -60.63 -47.4 86.41 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 120.834 0.35 . . . . 0.52 110.95 -177.796 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 537' ' ' VAL . . . . . 0.464 HG13 HD12 ' A' ' 524' ' ' ILE . 76.1 t -62.48 -44.52 99.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.753 -0.658 . . . . 0.25 110.703 -177.631 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 90.1 mt -64.13 -42.98 97.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.966 -0.561 . . . . 0.24 110.648 177.466 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 539' ' ' ASN . . . . . 0.568 ' O ' ' HD3' ' A' ' 543' ' ' PRO . 83.5 m-20 -61.33 -28.3 69.11 Favored 'General case' 0 C--O 1.223 -0.325 0 CA-C-N 115.779 -0.646 . . . . 1.07 111.737 -179.452 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 540' ' ' LEU . . . . . 0.583 ' HG ' ' O ' ' A' ' 536' ' ' ASP . 44.9 mt -74.74 -33.83 62.42 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.172 0.434 . . . . 0.36 112.172 -178.433 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -79.07 -38.42 22.67 Favored Glycine 0 N--CA 1.453 -0.195 0 C-N-CA 120.15 -1.024 . . . . 0.22 112.165 -179.627 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 542' ' ' LEU . . . . . . . . . . . . . 62.2 mt -49.1 -45.64 75.2 Favored Pre-proline 0 CA--C 1.55 0.964 0 N-CA-C 115.449 1.648 . . . . 0.25 115.449 -176.213 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 543' ' ' PRO . . . . . 0.568 ' HD3' ' O ' ' A' ' 539' ' ' ASN . 99.4 Cg_exo -51.93 -34.66 57.11 Favored 'Trans proline' 0 C--N 1.357 0.996 0 C-N-CA 122.369 2.046 . . . . 0.19 115.941 -168.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -110.59 -17.74 13.34 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 119.888 -0.725 . . . . 0.35 112.941 179.638 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 545' ' ' GLY . . . . . 0.538 ' CA ' ' HB1' ' A' ' 568' ' ' ALA . . . -125.7 -145.67 6.51 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.574 -0.822 . . . . 1.14 113.379 177.741 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 546' ' ' LYS . . . . . 0.601 ' O ' ' HA ' ' A' ' 563' ' ' MET . 40.0 tptt -144.46 125.3 14.28 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.266 -0.467 . . . . 1.56 110.585 178.092 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 94.8 t -91.51 136.0 25.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 116.484 -0.325 . . . . 0.25 110.901 179.508 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 45.0 p -107.94 -40.07 5.35 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.176 -0.466 . . . . 0.37 110.925 175.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -164.13 168.93 18.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.612 -0.722 . . . . 1.43 109.497 -179.475 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 53.0 p90 -141.32 151.33 43.52 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.016 0.436 . . . . 0.47 111.735 -173.299 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 551' ' ' ILE . . . . . 0.495 HD12 HD22 ' A' ' 599' ' ' LEU . 15.9 mt -126.38 122.34 61.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 108.659 -0.867 . . . . 0.37 108.659 168.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 552' ' ' LEU . . . . . . . . . . . . . 60.8 mt -113.07 120.06 40.02 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 116.17 -0.468 . . . . 0.45 111.783 -174.352 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 22.3 mmt -106.49 85.63 2.21 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.013 -0.736 . . . . 1.18 109.013 174.199 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.68 -29.45 67.9 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.476 -0.564 . . . . 1.45 109.476 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 64.2 p -63.19 -27.23 69.22 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.298 -0.865 . . . . 1.11 112.018 -179.321 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 556' ' ' THR . . . . . 0.424 ' O ' ' HG2' ' A' ' 558' ' ' GLN . 66.8 p -112.57 2.11 16.09 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.045 0.45 . . . . 0.88 110.506 -178.362 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 557' ' ' ASN . . . . . 0.566 ' HB3' ' O ' ' A' ' 527' ' ' LEU . 87.9 m-20 57.22 41.17 27.32 Favored 'General case' 0 CA--C 1.521 -0.166 0 CA-C-N 114.886 -1.052 . . . . 2.35 111.306 -178.017 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 558' ' ' GLN . . . . . 0.424 ' HG2' ' O ' ' A' ' 556' ' ' THR . 8.8 mm100 -139.9 148.54 42.18 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.219 -0.66 . . . . 2.07 109.219 -177.816 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 559' ' ' ALA . . . . . 0.426 ' HB3' ' HB ' ' A' ' 524' ' ' ILE . . . -131.26 150.67 52.05 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.257 0.465 . . . . 0.27 112.257 -174.435 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 560' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -125.2 126.63 45.52 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.543 -0.753 . . . . 0.33 109.315 176.659 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 14.6 tp -127.74 129.05 46.43 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 110.119 -0.326 . . . . 0.22 110.119 -175.044 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 562' ' ' GLU . . . . . 0.432 ' OE2' ' HA ' ' A' ' 598' ' ' GLU . 8.7 tp10 -99.44 137.86 37.35 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 121.061 0.457 . . . . 1.85 110.906 -174.461 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 563' ' ' MET . . . . . 0.601 ' HA ' ' O ' ' A' ' 546' ' ' LYS . 20.4 mmt -115.21 135.0 54.64 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.434 -0.803 . . . . 0.96 110.916 -173.37 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -61.6 -32.09 72.19 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 114.958 -1.019 . . . . 0.36 111.34 -177.141 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 565' ' ' TYR . . . . . 0.448 ' HB2' ' HB2' ' A' ' 568' ' ' ALA . 23.4 m-85 -123.44 132.39 53.93 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.136 -0.938 . . . . 1.27 108.804 -176.064 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 5.1 t -65.68 -38.15 88.47 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.11 -0.495 . . . . 0.52 110.955 -176.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 567' ' ' GLU . . . . . 0.55 ' CD ' ' H ' ' A' ' 567' ' ' GLU . 1.6 pm0 -68.33 -32.09 71.95 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.352 -0.385 . . . . 1.91 110.839 175.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 568' ' ' ALA . . . . . 0.538 ' HB1' ' CA ' ' A' ' 545' ' ' GLY . . . -62.14 -41.2 98.04 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.07 0.462 . . . . 0.28 110.164 177.753 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 569' ' ' ALA . . . . . 0.405 ' O ' ' HG2' ' A' ' 572' ' ' MET . . . -68.08 -45.39 73.95 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.791 -0.641 . . . . 0.19 111.0 178.329 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 570' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -61.81 -45.69 92.77 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.872 -0.604 . . . . 1.21 111.231 179.07 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -62.27 -42.74 99.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.956 -0.565 . . . . 0.31 111.347 -176.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 572' ' ' MET . . . . . 0.498 ' CE ' ' HA3' ' A' ' 545' ' ' GLY . 17.4 ptp -68.42 -46.25 70.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.459 -0.337 . . . . 0.62 110.771 -176.807 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 573' ' ' VAL . . . . . 0.483 HG11 ' HG2' ' A' ' 592' ' ' MET . 94.2 t -66.91 -37.06 78.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.607 -0.269 . . . . 0.21 111.37 -176.494 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -58.89 -37.59 76.94 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.638 -0.425 . . . . 1.9 110.008 176.082 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 60.8 t80 -69.26 -49.74 53.33 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.218 -0.446 . . . . 0.52 110.744 173.793 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 576' ' ' TYR . . . . . 0.474 ' CB ' ' HB ' ' A' ' 590' ' ' ILE . 21.8 m-85 -74.52 -16.76 60.82 Favored 'General case' 0 C--O 1.222 -0.369 0 N-CA-C 113.237 0.829 . . . . 0.34 113.237 -171.401 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -79.75 -26.96 40.57 Favored 'General case' 0 C--N 1.315 -0.894 0 C-N-CA 119.95 -0.7 . . . . 1.84 110.861 175.528 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -97.63 -38.98 9.32 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.21 0.529 . . . . 2.07 110.906 176.7 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -127.36 82.33 68.41 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-N 115.798 -0.637 . . . . 2.07 109.609 174.197 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_exo -71.68 160.08 49.16 Favored 'Trans proline' 0 C--O 1.233 0.259 0 C-N-CA 123.432 2.755 . . . . 0.19 112.654 -176.036 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 581' ' ' ALA . . . . . 0.456 ' HB1' HD22 ' A' ' 540' ' ' LEU . . . -93.03 152.85 19.05 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.175 -0.466 . . . . 0.2 110.348 -175.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 582' ' ' ILE . . . . . 0.478 HG12 ' HG2' ' A' ' 587' ' ' LYS . 63.7 mt -116.15 133.27 63.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 N-CA-C 112.286 0.476 . . . . 0.54 112.286 -170.782 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 583' ' ' ILE . . . . . 0.458 HD12 HD11 ' A' ' 588' ' ' LEU . 29.7 mt -122.64 121.94 64.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.093 -0.503 . . . . 0.73 110.084 169.618 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 584' ' ' ASN . . . . . 0.458 ' ND2' ' HB3' ' A' ' 531' ' ' SER . 5.2 m-20 59.5 36.85 23.06 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 116.378 -0.373 . . . . 1.46 111.731 177.61 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 80.72 -0.53 85.96 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.662 -0.78 . . . . 0.67 112.887 178.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -102.25 127.23 49.31 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.845 -0.428 . . . . 1.93 109.845 -179.433 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 587' ' ' LYS . . . . . 0.478 ' HG2' HG12 ' A' ' 582' ' ' ILE . 99.4 mttt -82.02 113.21 19.76 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.04 0.447 . . . . 2.12 110.573 -178.514 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 588' ' ' LEU . . . . . 0.508 HD12 ' CD1' ' A' ' 540' ' ' LEU . 38.4 mt -86.67 125.02 33.57 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.812 -0.631 . . . . 0.28 110.21 -179.79 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 39.4 tp -83.39 109.52 17.38 Favored 'General case' 0 C--N 1.31 -1.14 0 N-CA-C 108.541 -0.911 . . . . 0.38 108.541 174.293 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 590' ' ' ILE . . . . . 0.474 ' HB ' ' CB ' ' A' ' 576' ' ' TYR . 45.9 mt -95.15 116.21 36.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 N-CA-C 108.698 -0.853 . . . . 0.17 108.698 179.199 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 80.0 mtp180 -124.37 157.62 34.62 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.94 -0.573 . . . . 3.0 111.913 -169.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 592' ' ' MET . . . . . 0.483 ' HG2' HG11 ' A' ' 573' ' ' VAL . 0.4 OUTLIER -72.0 127.07 31.4 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 108.612 -0.885 . . . . 0.33 108.612 171.738 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 13.1 t -84.27 131.31 34.74 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.503 -0.479 . . . . 1.04 111.434 -174.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 17.5 m -98.89 -10.18 23.19 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.5 -0.773 . . . . 1.6 109.696 173.393 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 73.0 mtt180 -81.64 -40.42 22.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.69 -0.687 . . . . 2.94 110.741 -177.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -116.3 137.11 52.42 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.081 0.467 . . . . 0.93 110.568 176.349 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 597' ' ' LYS . . . . . 0.478 ' C ' ' HD3' ' A' ' 597' ' ' LYS . 13.7 tmtt? -89.58 -41.21 12.12 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.556 -0.747 . . . . 3.4 109.432 176.004 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 598' ' ' GLU . . . . . 0.432 ' HA ' ' OE2' ' A' ' 562' ' ' GLU . 11.3 pt-20 -154.08 146.52 23.99 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.642 -0.708 . . . . 2.02 110.174 -179.348 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 599' ' ' LEU . . . . . 0.495 HD22 HD12 ' A' ' 551' ' ' ILE . 60.2 mt -91.87 126.73 37.06 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.359 -0.382 . . . . 1.02 110.338 177.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 80.9 mm-40 -126.28 87.92 2.75 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.216 -0.447 . . . . 2.87 109.936 174.635 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 601' ' ' LEU . . . . . 0.421 HD21 HG12 ' A' ' 551' ' ' ILE . 63.8 mt -67.65 151.42 47.31 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.781 -0.645 . . . . 1.47 111.009 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 53.0 tttp -72.18 -47.63 49.3 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.231 -0.895 . . . . 5.4 110.275 179.665 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 50.5 mtmt -106.14 116.87 58.74 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 115.633 -0.712 . . . . 5.81 110.149 -178.774 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 604' ' ' PRO . . . . . 0.544 ' HA ' ' SD ' ' A' ' 512' ' ' MET . 23.3 Cg_exo -65.21 88.39 0.19 Allowed 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.912 2.408 . . . . 6.24 111.858 177.266 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 605' ' ' GLY . . . . . . . . . . . . . . . -79.19 -65.91 1.75 Allowed Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.984 -0.627 . . . . 6.9 112.71 -178.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -67.39 -59.43 3.4 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.735 0.302 . . . . 8.87 110.696 -179.111 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 28.9 m-80 -92.97 77.34 4.71 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 110.118 -0.327 . . . . 9.21 110.118 176.155 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 49.1 t -58.31 -55.41 22.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 121.261 0.553 . . . . 9.63 109.738 178.452 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -114.28 -66.81 1.05 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.453 -0.794 . . . . 9.47 109.473 173.174 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -165.17 113.54 1.02 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.984 -0.553 . . . . 9.11 110.774 178.51 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 69.8 mt -73.79 99.51 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 108.857 -0.794 . . . . 8.31 108.857 173.394 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 612' ' ' ILE . . . . . . . . . . . . . 62.7 mt -76.77 73.81 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 122.266 1.031 . . . . 8.86 111.483 -171.756 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 -145.62 -43.98 0.21 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 113.841 -1.527 . . . . 10.28 108.267 172.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -133.37 81.31 1.92 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.08 -0.964 . . . . 10.41 109.817 177.279 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 615' ' ' ILE . . . . . 0.44 ' HA ' ' NE ' ' A' ' 515' ' ' ARG . 9.2 pt -129.95 44.14 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.334 0 CA-C-N 114.989 -1.005 . . . . 8.61 111.051 -177.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 68.8 m80 -62.49 143.82 56.71 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.064 -0.516 . . . . 6.75 110.833 -179.558 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 47.0 m 74.24 -59.12 0.56 Allowed 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 123.875 0.87 . . . . 6.99 112.223 178.529 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 618' ' ' GLN . . . . . . . . . . . . . 78.6 mm-40 -73.43 -30.7 63.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.719 0.295 . . . . 9.26 110.639 -177.756 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 53.4 mtp180 64.99 -171.99 0.18 Allowed 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.31 -0.859 . . . . 12.9 111.817 178.293 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 620' ' ' GLU . . . . . 0.412 ' N ' HD12 ' A' ' 615' ' ' ILE . 10.2 pt-20 -73.57 177.23 5.49 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.19 0.519 . . . . 11.34 110.836 178.139 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 621' ' ' ARG . . . . . 0.517 ' NE ' ' HA ' ' A' ' 621' ' ' ARG . 3.6 mmp_? . . . . . 0 C--O 1.246 0.921 0 CA-C-O 118.511 -0.756 . . . . 11.46 109.625 177.588 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.799 0 N-CA-C 112.354 -0.298 . . . . 6.72 112.354 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . -84.02 65.01 8.48 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.132 0.491 . . . . 5.43 110.823 -178.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 86.3 mtp -87.61 -0.14 56.45 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.413 0.625 . . . . 6.23 109.935 178.234 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -115.96 -171.26 1.95 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.362 -0.836 . . . . 2.28 109.971 179.697 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 514' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 55.79 55.95 6.57 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 109.106 -0.701 . . . . 5.14 109.106 -178.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -62.76 -64.61 0.87 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.361 -0.836 . . . . 6.6 112.832 -166.575 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -80.16 62.83 4.46 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.319 0.488 . . . . 5.25 112.319 -175.028 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . 77.58 -82.27 1.19 Allowed Glycine 0 N--CA 1.449 -0.493 0 CA-C-N 115.901 -0.591 . . . . 3.29 113.262 174.128 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 518' ' ' ALA . . . . . . . . . . . . . . . -81.68 -82.53 0.13 Allowed 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 111.523 0.194 . . . . 2.38 111.523 -175.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 519' ' ' GLY . . . . . 0.41 ' H ' ' HB ' ' A' ' 566' ' ' THR . . . 78.16 144.43 2.37 Favored Glycine 0 CA--C 1.518 0.273 0 N-CA-C 111.097 -0.801 . . . . 1.58 111.097 -172.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 68.1 mtp180 -135.62 148.75 49.13 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 117.498 0.649 . . . . 2.39 111.691 -173.698 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 76.6 t -96.36 136.8 26.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.385 -0.825 . . . . 0.44 110.573 178.276 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 522' ' ' VAL . . . . . . . . . . . . . 59.9 t -106.47 135.07 46.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 116.103 -0.498 . . . . 0.25 110.409 177.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 523' ' ' HIS . . . . . 0.495 ' ND1' ' HA ' ' A' ' 593' ' ' SER . 2.1 p-80 -109.12 140.52 42.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.244 0.545 . . . . 1.75 110.927 177.366 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 524' ' ' ILE . . . . . 0.626 HD12 HG13 ' A' ' 537' ' ' VAL . 71.2 mt -115.66 138.54 45.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-N 115.428 -0.806 . . . . 0.28 110.495 -179.158 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 5.8 p -125.64 175.65 7.43 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.019 -0.537 . . . . 1.28 110.795 -179.459 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 69.69 29.23 4.24 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 123.693 0.62 . . . . 1.22 110.734 -177.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 527' ' ' LEU . . . . . 0.408 HD21 HD13 ' A' ' 588' ' ' LEU . 80.1 mt -89.03 121.64 69.48 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 116.015 -0.539 . . . . 0.6 110.877 -176.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 528' ' ' PRO . . . . . 0.593 ' HD2' ' SG ' ' A' ' 532' ' ' CYS . 31.4 Cg_endo -67.68 130.92 23.06 Favored 'Trans proline' 0 N--CA 1.46 -0.48 0 C-N-CA 121.896 1.731 . . . . 0.62 111.753 174.561 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -68.68 125.3 26.11 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.616 -0.72 . . . . 2.98 111.343 -178.03 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 86.52 -18.17 35.25 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.955 -0.641 . . . . 0.94 113.346 174.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 4.4 t -93.13 -34.48 13.63 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 117.133 0.466 . . . . 1.17 110.68 -177.468 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 532' ' ' CYS . . . . . 0.593 ' SG ' ' HD2' ' A' ' 528' ' ' PRO . 70.9 m -85.07 133.17 34.24 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.521 -0.308 . . . . 0.77 110.506 177.491 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 69.6 p -104.45 170.83 7.67 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.848 -0.426 . . . . 0.54 109.848 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 534' ' ' GLU . . . . . 0.4 ' HA ' HD11 ' A' ' 552' ' ' LEU . 31.4 mt-10 -54.7 -41.49 70.33 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.177 0.513 . . . . 1.32 109.783 177.305 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -61.79 -43.42 98.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.309 -0.86 . . . . 1.95 111.829 -175.527 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 536' ' ' ASP . . . . . 0.646 ' O ' ' HG ' ' A' ' 540' ' ' LEU . 26.2 m-20 -61.07 -48.63 80.83 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 121.151 0.5 . . . . 0.52 110.892 -175.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 537' ' ' VAL . . . . . 0.626 HG13 HD12 ' A' ' 524' ' ' ILE . 99.2 t -64.73 -44.97 96.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.357 -0.838 . . . . 0.25 110.69 -175.462 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 95.8 mt -64.01 -45.28 97.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.005 -0.543 . . . . 0.24 110.824 178.422 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 539' ' ' ASN . . . . . 0.647 ' O ' ' HD3' ' A' ' 543' ' ' PRO . 5.8 m-20 -64.48 -28.3 69.57 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.768 -0.651 . . . . 1.07 112.29 -176.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 540' ' ' LEU . . . . . 0.646 ' HG ' ' O ' ' A' ' 536' ' ' ASP . 53.6 mt -72.52 -32.41 66.11 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.318 0.488 . . . . 0.36 112.318 -177.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -79.69 -33.87 32.97 Favored Glycine 0 CA--C 1.518 0.235 0 C-N-CA 120.145 -1.026 . . . . 0.22 112.058 178.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 542' ' ' LEU . . . . . 0.409 HD12 ' HA ' ' A' ' 539' ' ' ASN . 68.2 mt -53.3 -39.89 75.24 Favored Pre-proline 0 CA--C 1.546 0.826 0 N-CA-C 115.526 1.676 . . . . 0.25 115.526 -175.186 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 543' ' ' PRO . . . . . 0.647 ' HD3' ' O ' ' A' ' 539' ' ' ASN . 96.8 Cg_exo -52.05 -35.28 60.93 Favored 'Trans proline' 0 C--N 1.356 0.952 0 C-N-CA 121.589 1.526 . . . . 0.19 115.07 -173.741 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 544' ' ' PHE . . . . . 0.408 ' HB2' ' HA ' ' A' ' 572' ' ' MET . 78.8 m-85 -110.96 -17.73 13.23 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.9 0.704 . . . . 0.35 112.9 178.411 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 545' ' ' GLY . . . . . 0.515 ' CA ' ' HB1' ' A' ' 568' ' ' ALA . . . -128.0 -151.12 7.49 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.797 -0.716 . . . . 1.14 113.264 179.132 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 546' ' ' LYS . . . . . 0.574 ' O ' ' HA ' ' A' ' 563' ' ' MET . 53.0 tttp -149.49 139.44 21.97 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 110.571 -0.159 . . . . 1.56 110.571 177.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 547' ' ' VAL . . . . . 0.475 ' HA ' ' O ' ' A' ' 562' ' ' GLU . 96.5 t -102.53 133.11 47.14 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.482 0 O-C-N 123.479 0.487 . . . . 0.25 111.658 -174.486 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 548' ' ' THR . . . . . 0.418 HG23 ' HB2' ' A' ' 564' ' ' ALA . 26.0 p -107.63 -34.44 7.0 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.608 -0.724 . . . . 0.37 111.951 176.207 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 49.9 m-80 -152.28 167.07 29.83 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 115.881 -0.6 . . . . 1.43 109.453 -178.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 550' ' ' TYR . . . . . 0.496 ' O ' HD21 ' A' ' 601' ' ' LEU . 52.1 p90 -147.12 149.68 33.5 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 121.0 -0.28 . . . . 0.47 110.723 176.868 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 551' ' ' ILE . . . . . 0.525 HD12 HD22 ' A' ' 599' ' ' LEU . 25.4 mt -133.67 121.75 41.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 108.971 -0.751 . . . . 0.37 108.971 172.272 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 552' ' ' LEU . . . . . 0.4 HD11 ' HA ' ' A' ' 534' ' ' GLU . 82.6 mt -113.08 111.4 22.08 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.145 -0.48 . . . . 0.45 111.827 -173.568 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 66.1 mtt -108.75 84.48 1.94 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.464 0.649 . . . . 1.18 109.634 173.13 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -68.64 -30.34 69.03 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.406 -0.815 . . . . 1.45 111.201 -175.088 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 64.9 p -64.76 -32.02 73.52 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.125 -0.488 . . . . 1.11 111.743 -177.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 69.9 p -100.62 12.79 36.65 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 111.737 0.273 . . . . 0.88 111.737 -177.715 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 58.01 43.05 21.71 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 116.015 -0.539 . . . . 2.35 110.842 179.514 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 20.0 mm-40 -142.33 149.49 39.53 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.174 0.511 . . . . 2.07 111.225 -176.768 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 559' ' ' ALA . . . . . 0.484 ' O ' ' HA ' ' A' ' 523' ' ' HIS . . . -137.18 143.75 42.55 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.906 -0.588 . . . . 0.27 109.646 173.516 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 560' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -120.68 126.62 50.67 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.632 -0.507 . . . . 0.33 109.632 178.274 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 14.6 tp -121.89 130.64 53.51 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.967 -0.561 . . . . 0.22 109.797 -176.374 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 562' ' ' GLU . . . . . 0.591 ' HB2' HD12 ' A' ' 599' ' ' LEU . 32.7 tt0 -99.47 137.52 37.86 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.387 -0.369 . . . . 1.85 110.255 -173.277 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 563' ' ' MET . . . . . 0.574 ' HA ' ' O ' ' A' ' 546' ' ' LYS . 20.3 mmt -115.84 135.45 53.99 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.427 0.632 . . . . 0.96 111.546 -172.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 564' ' ' ALA . . . . . 0.418 ' HB2' HG23 ' A' ' 548' ' ' THR . . . -61.76 -31.18 71.35 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-N 114.779 -1.101 . . . . 0.36 111.754 -177.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 50.0 m-85 -131.14 141.05 50.06 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.674 -0.694 . . . . 1.27 109.561 -175.457 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 566' ' ' THR . . . . . 0.41 ' HB ' ' H ' ' A' ' 519' ' ' GLY . 8.8 t -66.19 -30.78 71.32 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.934 -0.575 . . . . 0.52 110.351 178.652 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -66.67 -37.19 84.27 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.073 0.463 . . . . 1.91 109.999 175.074 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 568' ' ' ALA . . . . . 0.515 ' HB1' ' CA ' ' A' ' 545' ' ' GLY . . . -63.59 -45.27 91.13 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.47 -0.786 . . . . 0.28 110.519 -179.244 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -67.53 -46.58 72.41 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.651 -0.704 . . . . 0.19 111.654 -177.167 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 570' ' ' GLN . . . . . 0.511 ' O ' ' HG2' ' A' ' 574' ' ' GLN . 47.5 mt-30 -68.73 -45.39 71.64 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.238 -0.437 . . . . 1.21 111.28 -177.231 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -62.24 -42.83 99.67 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.338 -0.392 . . . . 0.31 111.568 -175.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 572' ' ' MET . . . . . 0.513 ' HB2' ' CE1' ' A' ' 576' ' ' TYR . 17.7 ptp -64.92 -45.1 87.25 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 120.758 -0.377 . . . . 0.62 110.344 -179.153 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 573' ' ' VAL . . . . . 0.686 HG13 ' HA ' ' A' ' 591' ' ' ARG . 65.2 t -66.91 -37.71 79.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.131 -0.486 . . . . 0.21 111.79 -175.839 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 574' ' ' GLN . . . . . 0.511 ' HG2' ' O ' ' A' ' 570' ' ' GLN . 85.9 mm-40 -59.36 -37.45 77.91 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.662 -0.495 . . . . 1.9 109.662 177.736 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 58.4 t80 -69.34 -49.25 57.38 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.921 -0.582 . . . . 0.52 110.84 173.359 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 576' ' ' TYR . . . . . 0.513 ' CE1' ' HB2' ' A' ' 572' ' ' MET . 18.6 m-85 -74.88 -17.19 60.62 Favored 'General case' 0 C--O 1.222 -0.387 0 N-CA-C 113.184 0.809 . . . . 0.34 113.184 -171.62 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -78.91 -27.97 43.89 Favored 'General case' 0 C--N 1.317 -0.813 0 C-N-CA 119.929 -0.709 . . . . 1.84 110.487 174.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 39.7 mm-40 -96.66 -38.72 9.82 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.128 0.489 . . . . 2.07 110.819 179.281 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 58.8 mtpt -130.45 79.42 72.37 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-N 115.761 -0.654 . . . . 2.07 109.647 176.08 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_exo -69.36 160.35 50.14 Favored 'Trans proline' 0 C--O 1.233 0.231 0 C-N-CA 123.607 2.871 . . . . 0.19 113.188 -173.723 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -91.84 152.81 19.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.01 -0.541 . . . . 0.2 110.144 -176.647 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 44.8 mt -121.28 131.52 72.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 112.154 0.427 . . . . 0.54 112.154 -168.577 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 583' ' ' ILE . . . . . 0.534 HD12 HD11 ' A' ' 588' ' ' LEU . 38.1 mt -121.25 123.07 69.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.108 -0.496 . . . . 0.73 109.995 172.401 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 12.8 m120 59.71 33.61 21.89 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 122.702 0.401 . . . . 1.46 111.305 177.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 79.01 3.25 88.07 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.397 -0.906 . . . . 0.67 112.375 -179.059 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -102.69 126.49 49.82 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.672 -0.492 . . . . 1.93 109.672 178.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 9.6 mtmp? -83.62 114.03 21.26 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.05 -0.523 . . . . 2.12 110.749 -175.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 588' ' ' LEU . . . . . 0.534 HD11 HD12 ' A' ' 583' ' ' ILE . 37.8 mt -87.83 124.25 33.44 Favored 'General case' 0 CA--C 1.505 -0.786 0 CA-C-N 115.674 -0.694 . . . . 0.28 109.793 179.234 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 32.4 tp -83.57 108.88 16.97 Favored 'General case' 0 N--CA 1.438 -1.037 0 N-CA-C 108.165 -1.05 . . . . 0.38 108.165 173.477 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 590' ' ' ILE . . . . . 0.507 ' HB ' ' CB ' ' A' ' 576' ' ' TYR . 38.6 mt -95.62 115.78 35.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 N-CA-C 108.314 -0.995 . . . . 0.17 108.314 179.549 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 591' ' ' ARG . . . . . 0.686 ' HA ' HG13 ' A' ' 573' ' ' VAL . 25.9 ptt180 -144.89 161.39 39.44 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.864 0.69 . . . . 3.0 112.864 -171.767 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 592' ' ' MET . . . . . 0.605 ' HG2' HG11 ' A' ' 573' ' ' VAL . 0.2 OUTLIER -64.16 129.16 38.88 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 114.899 -1.046 . . . . 0.33 111.219 -171.748 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 593' ' ' SER . . . . . 0.495 ' HA ' ' ND1' ' A' ' 523' ' ' HIS . 20.2 t -88.52 129.06 35.55 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.404 -0.362 . . . . 1.04 111.051 -178.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 20.0 m -96.02 -29.59 14.05 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.388 -0.369 . . . . 1.6 110.469 178.503 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -59.84 -40.8 89.73 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.12 -0.491 . . . . 2.94 111.084 -178.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -118.48 132.75 56.22 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.979 0.419 . . . . 0.93 110.388 -179.065 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 44.5 mmtm -91.82 -33.8 14.82 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.756 -0.831 . . . . 3.4 108.756 171.285 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -146.82 149.93 34.29 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.414 -1.266 . . . . 2.02 108.452 174.809 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 599' ' ' LEU . . . . . 0.591 HD12 ' HB2' ' A' ' 562' ' ' GLU . 92.9 mt -92.77 -52.68 4.5 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.913 -0.403 . . . . 1.02 109.913 -179.514 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 72.7 mm-40 48.74 74.42 0.18 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.143 -0.935 . . . . 2.87 112.02 179.021 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 601' ' ' LEU . . . . . 0.496 HD21 ' O ' ' A' ' 550' ' ' TYR . 90.7 mt -56.21 145.69 25.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.077 -0.511 . . . . 1.47 109.881 175.255 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.59 -11.13 22.3 Favored 'General case' 0 N--CA 1.466 0.354 0 O-C-N 123.736 0.648 . . . . 5.4 112.499 -170.799 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 603' ' ' LYS . . . . . 0.432 ' HA ' ' HD3' ' A' ' 604' ' ' PRO . 5.9 mtpm? -69.89 109.81 5.42 Favored Pre-proline 0 C--N 1.327 -0.396 0 N-CA-C 109.257 -0.645 . . . . 5.81 109.257 177.661 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 604' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 603' ' ' LYS . 22.2 Cg_exo -64.76 -51.96 1.53 Allowed 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 123.034 2.489 . . . . 6.24 112.972 -174.288 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 605' ' ' GLY . . . . . . . . . . . . . . . -83.2 91.15 1.59 Allowed Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.712 -0.756 . . . . 6.9 112.616 -176.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -66.14 -41.97 89.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.525 0.679 . . . . 8.87 109.407 176.512 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -154.39 97.39 2.01 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.104 -0.953 . . . . 9.21 108.633 176.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 43.9 t -60.02 -36.29 66.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.097 -0.501 . . . . 9.63 112.26 -170.664 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -84.02 29.79 0.54 Allowed 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 111.773 0.286 . . . . 9.47 111.773 -178.061 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . 67.41 127.26 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 123.572 0.749 . . . . 9.11 112.25 178.262 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 59.2 mt -76.14 72.35 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.389 0.614 . . . . 8.31 110.222 178.555 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 612' ' ' ILE . . . . . . . . . . . . . 55.7 mt -96.24 70.21 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 121.685 0.755 . . . . 8.86 109.666 177.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -123.03 -43.72 2.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.458 -0.792 . . . . 10.28 111.329 -177.471 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 614' ' ' ASP . . . . . 0.456 ' OD2' ' HE2' ' A' ' 546' ' ' LYS . 14.3 m-20 -105.57 -61.74 1.45 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.496 -0.32 . . . . 10.41 111.164 -179.037 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 615' ' ' ILE . . . . . . . . . . . . . 4.1 mp 56.09 56.1 0.32 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.362 0 CA-C-O 121.973 0.892 . . . . 8.61 110.298 -176.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 29.3 m-70 -111.39 5.55 19.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.363 -0.835 . . . . 6.75 109.497 172.55 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 3.7 p 175.99 34.64 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 114.922 -1.035 . . . . 6.99 109.632 -178.355 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 618' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -127.55 149.1 50.3 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.776 -0.647 . . . . 9.26 110.386 -174.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 23.1 mmt180 -126.77 60.2 1.36 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.327 -0.397 . . . . 12.9 110.466 178.476 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 620' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 51.9 79.27 0.11 Allowed 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.508 -0.769 . . . . 11.34 111.228 179.586 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 28.7 mmm180 . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.382 -0.818 . . . . 11.46 110.024 -179.268 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.65 0 N-CA-C 111.777 -0.529 . . . . 6.72 111.777 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . -103.07 38.61 1.72 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.14 0.495 . . . . 5.43 110.37 178.422 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 64.8 mtt -80.7 92.67 6.04 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.022 -0.536 . . . . 6.23 110.271 -179.46 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -75.08 70.17 2.04 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.957 -0.565 . . . . 2.28 110.202 176.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 514' ' ' GLN . . . . . 0.557 ' C ' ' H ' ' A' ' 516' ' ' LYS . 67.2 mt-30 -69.26 -38.97 78.67 Favored 'General case' 0 CA--C 1.506 -0.72 0 CA-C-N 115.665 -0.698 . . . . 5.14 110.967 -178.473 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 515' ' ' ARG . . . . . 0.466 ' HB2' ' O ' ' A' ' 514' ' ' GLN . 87.0 mtm180 71.27 -26.54 0.17 Allowed 'General case' 0 N--CA 1.463 0.217 0 O-C-N 124.266 0.979 . . . . 6.6 110.713 -172.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 516' ' ' LYS . . . . . 0.557 ' H ' ' C ' ' A' ' 514' ' ' GLN . 29.0 mmmt 67.76 28.98 7.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 114.77 -1.105 . . . . 5.25 110.553 167.659 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . 113.22 -18.85 20.74 Favored Glycine 0 N--CA 1.439 -1.15 0 CA-C-N 115.303 -0.862 . . . . 3.29 111.494 -178.432 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 518' ' ' ALA . . . . . . . . . . . . . . . -152.05 -78.2 0.12 Allowed 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.831 -0.347 . . . . 2.38 111.892 -174.309 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 77.97 136.7 1.0 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 121.187 -0.53 . . . . 1.58 112.474 -178.049 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 48.0 mtt180 -138.62 160.08 40.49 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.725 0.297 . . . . 2.39 110.436 176.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 521' ' ' VAL . . . . . 0.413 HG23 ' HA ' ' A' ' 598' ' ' GLU . 90.5 t -112.95 135.12 53.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.73 -0.668 . . . . 0.44 110.234 176.106 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 522' ' ' VAL . . . . . 0.418 HG13 ' O ' ' A' ' 591' ' ' ARG . 73.7 t -102.31 133.97 44.41 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.088 0 CA-C-N 115.81 -0.632 . . . . 0.25 109.96 172.834 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -105.1 118.19 35.9 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.55 -0.75 . . . . 1.75 109.294 179.547 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 524' ' ' ILE . . . . . . . . . . . . . 72.5 mt -103.6 129.58 55.38 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.876 0 CA-C-N 115.45 -0.796 . . . . 0.28 109.595 178.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 3.1 p -126.93 175.06 8.34 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.893 -0.594 . . . . 1.28 110.635 -177.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 66.6 32.68 6.99 Favored 'General case' 0 N--CA 1.466 0.339 0 O-C-N 123.703 0.627 . . . . 1.22 109.939 -175.505 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 82.1 mt -84.66 122.68 74.83 Favored Pre-proline 0 C--N 1.322 -0.613 0 CA-C-N 115.645 -0.707 . . . . 0.6 110.194 -178.625 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 528' ' ' PRO . . . . . 0.405 ' HD2' ' SG ' ' A' ' 532' ' ' CYS . 19.8 Cg_endo -64.19 130.45 27.2 Favored 'Trans proline' 0 C--O 1.236 0.42 0 C-N-CA 121.896 1.731 . . . . 0.62 112.262 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -69.71 126.74 30.62 Favored 'General case' 0 N--CA 1.443 -0.823 0 CA-C-N 115.243 -0.89 . . . . 2.98 111.037 -179.21 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 75.79 15.65 81.18 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 121.047 -0.597 . . . . 0.94 112.682 177.793 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 9.2 m -121.45 -33.87 3.56 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 120.92 0.391 . . . . 1.17 111.455 -178.1 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 532' ' ' CYS . . . . . 0.405 ' SG ' ' HD2' ' A' ' 528' ' ' PRO . 39.7 m -84.95 137.14 33.28 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.317 -0.402 . . . . 0.77 111.137 -175.778 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 70.9 p -105.29 170.6 7.79 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.471 -0.566 . . . . 0.54 109.471 175.159 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -62.26 -38.65 90.11 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.147 0.498 . . . . 1.32 109.699 176.754 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -68.35 -44.44 75.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.503 -0.771 . . . . 1.95 111.995 -176.093 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 536' ' ' ASP . . . . . 0.504 ' O ' ' HG ' ' A' ' 540' ' ' LEU . 69.4 m-20 -60.64 -46.86 88.71 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 120.735 0.303 . . . . 0.52 111.31 -173.818 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 61.4 t -63.34 -43.78 98.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.006 -0.543 . . . . 0.25 110.795 -177.626 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 78.6 mt -66.82 -44.57 89.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 0.24 110.415 178.425 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 539' ' ' ASN . . . . . 0.507 ' O ' ' HD3' ' A' ' 543' ' ' PRO . 95.2 m-20 -61.58 -28.95 69.71 Favored 'General case' 0 C--O 1.225 -0.216 0 CA-C-N 115.892 -0.595 . . . . 1.07 111.678 -178.562 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 540' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' A' ' 536' ' ' ASP . 46.9 mt -74.56 -34.71 62.98 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 111.627 0.232 . . . . 0.36 111.627 178.091 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -75.34 -43.46 25.08 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.225 -0.988 . . . . 0.22 112.03 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 542' ' ' LEU . . . . . 0.479 ' HA ' ' O ' ' A' ' 545' ' ' GLY . 79.1 mt -47.54 -44.7 55.54 Favored Pre-proline 0 CA--C 1.546 0.818 0 N-CA-C 115.323 1.601 . . . . 0.25 115.323 -173.484 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 543' ' ' PRO . . . . . 0.507 ' HD3' ' O ' ' A' ' 539' ' ' ASN . 76.0 Cg_exo -50.47 -34.9 43.6 Favored 'Trans proline' 0 C--N 1.357 1.021 0 C-N-CA 122.01 1.806 . . . . 0.19 115.724 -171.698 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -110.91 -18.8 13.0 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 119.861 -0.736 . . . . 0.35 112.795 179.316 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 545' ' ' GLY . . . . . 0.479 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . -143.72 138.65 8.23 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.679 -0.772 . . . . 1.14 112.973 175.034 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 546' ' ' LYS . . . . . 0.41 ' O ' ' HA ' ' A' ' 563' ' ' MET . 59.4 tptt -78.95 142.54 36.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.645 0.259 . . . . 1.56 110.748 -177.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 547' ' ' VAL . . . . . 0.402 HG11 HD11 ' A' ' 561' ' ' LEU . 92.1 t -104.68 136.02 40.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.988 -0.551 . . . . 0.25 111.473 -175.563 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 39.2 p -96.41 -40.13 9.26 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.064 -0.516 . . . . 0.37 111.076 177.339 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -163.61 168.92 19.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.984 -0.553 . . . . 1.43 109.635 179.728 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 550' ' ' TYR . . . . . 0.435 ' O ' HD21 ' A' ' 601' ' ' LEU . 14.1 p90 -140.55 150.83 44.17 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.877 0.37 . . . . 0.47 111.325 -174.271 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 551' ' ' ILE . . . . . 0.456 HD12 HD22 ' A' ' 599' ' ' LEU . 50.8 mt -132.21 122.65 48.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 108.952 -0.758 . . . . 0.37 108.952 172.14 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 552' ' ' LEU . . . . . . . . . . . . . 91.0 mt -110.78 113.59 26.3 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 120.931 0.396 . . . . 0.45 111.442 -177.232 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 58.8 mtt -109.62 84.06 1.86 Allowed 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.247 -0.649 . . . . 1.18 109.247 171.314 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp -67.65 -30.91 70.59 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.0 -0.545 . . . . 1.45 110.722 -175.348 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 65.7 p -60.07 -27.93 67.38 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.458 -0.792 . . . . 1.11 111.401 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 81.8 p -98.58 8.0 45.45 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.488 -0.323 . . . . 0.88 110.965 -177.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 55.95 42.58 28.55 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.498 -0.774 . . . . 2.35 110.04 -176.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -144.41 149.76 36.6 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.547 -0.751 . . . . 2.07 110.838 -173.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -130.01 142.74 50.59 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 115.626 -0.715 . . . . 0.27 109.491 174.225 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 560' ' ' PHE . . . . . 0.431 ' HB3' HD21 ' A' ' 599' ' ' LEU . 83.8 m-85 -124.06 126.14 45.73 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.229 0.537 . . . . 0.33 109.614 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 561' ' ' LEU . . . . . 0.639 ' HB3' ' HE1' ' A' ' 563' ' ' MET . 15.7 tp -129.78 132.52 46.56 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 115.505 -0.771 . . . . 0.22 109.026 -173.359 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 562' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -100.11 128.53 46.17 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-O 121.14 0.495 . . . . 1.85 110.53 -177.488 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 563' ' ' MET . . . . . 0.692 ' HG2' ' SD ' ' A' ' 572' ' ' MET . 1.0 OUTLIER -103.45 137.66 41.24 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.574 -0.739 . . . . 0.96 110.311 -179.15 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -60.19 -38.12 82.31 Favored 'General case' 0 C--O 1.218 -0.559 0 CA-C-N 114.393 -1.276 . . . . 0.36 111.651 -174.226 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 565' ' ' TYR . . . . . 0.439 ' CE2' ' HE2' ' A' ' 516' ' ' LYS . 27.2 m-85 -117.42 141.16 48.67 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.537 -0.542 . . . . 1.27 109.537 -177.354 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 9.7 t -64.76 -34.88 79.37 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.217 -0.447 . . . . 0.52 110.398 179.132 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -67.87 -36.05 79.59 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.094 -0.503 . . . . 1.91 110.904 176.29 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 568' ' ' ALA . . . . . 0.447 ' HB1' ' HA2' ' A' ' 545' ' ' GLY . . . -62.65 -46.09 89.83 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.992 -0.549 . . . . 0.28 110.603 179.611 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 569' ' ' ALA . . . . . 0.858 ' HA ' ' SD ' ' A' ' 572' ' ' MET . . . -63.38 -45.23 92.07 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.688 -0.687 . . . . 0.19 111.522 -178.441 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 570' ' ' GLN . . . . . 0.536 ' O ' ' HG3' ' A' ' 574' ' ' GLN . 48.7 mt-30 -68.32 -45.9 71.71 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.147 -0.479 . . . . 1.21 111.193 -178.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -66.01 -35.52 80.79 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.527 -0.306 . . . . 0.31 111.506 -176.722 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 572' ' ' MET . . . . . 0.858 ' SD ' ' HA ' ' A' ' 569' ' ' ALA . 4.2 ptm -67.17 -45.94 75.47 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.84 -0.429 . . . . 0.62 109.84 179.243 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 573' ' ' VAL . . . . . 0.535 HG13 ' HA ' ' A' ' 591' ' ' ARG . 55.5 t -66.67 -36.92 78.42 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.444 0 CA-C-N 116.281 -0.418 . . . . 0.21 110.66 -178.815 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 574' ' ' GLN . . . . . 0.536 ' HG3' ' O ' ' A' ' 570' ' ' GLN . 55.7 mt-30 -58.55 -36.33 73.73 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.683 -0.488 . . . . 1.9 109.683 176.887 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 81.9 t80 -68.23 -50.35 54.63 Favored 'General case' 0 C--O 1.221 -0.412 0 CA-C-N 116.446 -0.343 . . . . 0.52 111.014 173.684 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 576' ' ' TYR . . . . . 0.426 ' CB ' ' HB ' ' A' ' 590' ' ' ILE . 28.1 m-85 -74.08 -16.08 61.04 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 112.329 0.492 . . . . 0.34 112.329 -173.362 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 67.4 mm-40 -74.99 -30.76 61.26 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 120.743 0.306 . . . . 1.84 111.192 173.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -98.5 -40.18 8.38 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.002 0.43 . . . . 2.07 111.295 177.683 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 60.0 mtpt -128.55 81.8 69.93 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-N 115.857 -0.61 . . . . 2.07 109.528 177.146 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -70.01 160.12 50.77 Favored 'Trans proline' 0 C--O 1.234 0.292 0 C-N-CA 123.548 2.832 . . . . 0.19 112.565 -174.694 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 581' ' ' ALA . . . . . 0.447 ' HB1' HD22 ' A' ' 540' ' ' LEU . . . -92.56 153.43 19.05 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.143 -0.48 . . . . 0.2 110.458 -175.172 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 60.7 mt -121.25 135.88 59.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 112.018 0.377 . . . . 0.54 112.018 -170.333 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 583' ' ' ILE . . . . . 0.425 HD12 HD11 ' A' ' 588' ' ' LEU . 24.4 mt -122.29 120.96 62.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 116.241 -0.436 . . . . 0.73 110.199 171.349 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 56.59 35.7 26.47 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 115.977 -0.556 . . . . 1.46 111.718 177.024 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 85.56 1.75 87.47 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.786 -0.721 . . . . 0.67 112.847 177.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -106.5 127.01 52.98 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.794 0.33 . . . . 1.93 110.348 179.041 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -81.23 118.52 22.66 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.104 -0.498 . . . . 2.12 110.303 -178.299 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 588' ' ' LEU . . . . . 0.425 HD11 HD12 ' A' ' 583' ' ' ILE . 37.6 mt -90.12 140.45 29.64 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.856 -0.611 . . . . 0.28 110.212 -179.553 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 59.0 tp -89.52 108.1 19.46 Favored 'General case' 0 C--N 1.312 -1.046 0 N-CA-C 108.621 -0.881 . . . . 0.38 108.621 171.146 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 590' ' ' ILE . . . . . 0.426 ' HB ' ' CB ' ' A' ' 576' ' ' TYR . 52.5 mt -97.17 114.3 33.81 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 N-CA-C 107.648 -1.242 . . . . 0.17 107.648 174.486 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 591' ' ' ARG . . . . . 0.535 ' HA ' HG13 ' A' ' 573' ' ' VAL . 12.4 ptm180 -137.95 163.56 31.22 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.185 0.516 . . . . 3.0 112.289 -172.368 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 592' ' ' MET . . . . . 0.524 ' HG2' HG11 ' A' ' 573' ' ' VAL . 0.1 OUTLIER -66.77 129.73 40.84 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.404 -0.816 . . . . 0.33 109.452 177.839 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 92.4 p -72.64 138.64 46.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.025 0.44 . . . . 1.04 110.17 179.756 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 14.0 p -98.66 -15.47 19.4 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 116.095 -0.502 . . . . 1.6 111.503 -178.151 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 51.2 mtm180 -107.34 -12.31 15.36 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 111.822 0.305 . . . . 2.94 111.822 -176.368 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 35.6 m-85 -122.57 133.43 54.55 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.945 0.402 . . . . 0.93 111.048 -176.256 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -92.66 -41.96 9.89 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.277 0.56 . . . . 3.4 109.55 172.116 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 598' ' ' GLU . . . . . 0.413 ' HA ' HG23 ' A' ' 521' ' ' VAL . 0.6 OUTLIER -152.87 163.29 40.04 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.131 -0.94 . . . . 2.02 109.026 178.103 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 599' ' ' LEU . . . . . 0.456 HD22 HD12 ' A' ' 551' ' ' ILE . 98.1 mt -92.69 -65.2 1.02 Allowed 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.986 -0.375 . . . . 1.02 109.986 179.435 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 51.82 79.98 0.1 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.829 -1.078 . . . . 2.87 110.757 -175.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 601' ' ' LEU . . . . . 0.435 HD21 ' O ' ' A' ' 550' ' ' TYR . 94.6 mt -44.13 133.03 5.41 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.704 -0.68 . . . . 1.47 110.936 179.569 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -76.45 60.16 1.55 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.098 -0.501 . . . . 5.4 111.586 -173.049 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -69.75 128.7 91.8 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 115.666 -0.697 . . . . 5.81 109.304 174.66 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 604' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -64.65 133.26 36.02 Favored 'Trans proline' 0 N--CA 1.463 -0.282 0 C-N-CA 122.585 2.19 . . . . 6.24 111.489 178.637 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 605' ' ' GLY . . . . . . . . . . . . . . . 78.95 88.23 0.47 Allowed Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 120.45 -0.881 . . . . 6.9 111.382 -176.747 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 68.5 mmtt -66.12 -28.9 69.15 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.951 0.405 . . . . 8.87 110.307 -176.52 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 22.1 p-10 -66.58 -31.07 71.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.593 -0.731 . . . . 9.21 110.47 177.411 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 21.6 t -74.88 -33.26 29.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.926 -0.579 . . . . 9.63 110.207 -179.542 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -88.04 3.8 47.57 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.873 -0.603 . . . . 9.47 111.16 -179.362 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . 69.46 109.34 0.05 Allowed 'General case' 0 N--CA 1.463 0.216 0 O-C-N 124.106 0.879 . . . . 9.11 111.597 -179.303 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 63.3 mt -81.44 79.86 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.533 0.683 . . . . 8.31 109.686 179.434 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 612' ' ' ILE . . . . . . . . . . . . . 59.5 mt -81.33 79.53 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.413 -0.812 . . . . 8.86 110.971 -176.08 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -107.13 -27.63 10.47 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.802 -0.635 . . . . 10.28 110.893 177.507 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 20.6 p-10 -95.02 -62.65 1.27 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.091 -0.504 . . . . 10.41 111.591 -174.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 615' ' ' ILE . . . . . . . . . . . . . 51.3 mm -89.42 98.17 7.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 120.945 0.403 . . . . 8.61 111.001 -176.158 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 34.7 m80 -101.3 -8.9 21.69 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.22 -0.446 . . . . 6.75 110.139 176.236 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 10.9 p -69.24 -29.06 66.91 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.322 0.582 . . . . 6.99 110.739 178.315 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 618' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -129.58 -178.05 4.52 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.373 -0.831 . . . . 9.26 109.789 -178.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 89.2 mtm180 -92.2 109.24 20.6 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 108.884 -0.784 . . . . 12.9 108.884 171.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 620' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 69.78 171.28 0.31 Allowed 'General case' 0 N--CA 1.463 0.197 0 O-C-N 123.918 0.762 . . . . 11.34 110.459 -175.091 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 7.7 ptp85 . . . . . 0 C--O 1.247 0.953 0 CA-C-O 118.568 -0.73 . . . . 11.46 110.515 -179.676 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.652 0 N-CA-C 112.031 -0.428 . . . . 6.72 112.031 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . -154.82 86.35 1.12 Allowed 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.725 -0.472 . . . . 5.43 109.725 177.563 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 1.5 mpt? -84.23 48.19 1.45 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.139 -0.482 . . . . 6.23 111.637 -174.254 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -136.75 135.81 38.4 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.929 0.395 . . . . 2.28 110.758 -179.53 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 514' ' ' GLN . . . . . . . . . . . . . 20.1 mm-40 -70.23 -36.16 74.33 Favored 'General case' 0 CA--C 1.514 -0.441 0 CA-C-N 115.561 -0.745 . . . . 5.14 110.824 178.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 62.3 mtm180 64.29 -76.65 0.04 OUTLIER 'General case' 0 C--O 1.228 -0.048 0 O-C-N 124.255 0.972 . . . . 6.6 109.562 -171.611 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 516' ' ' LYS . . . . . 0.544 ' O ' ' HB3' ' A' ' 616' ' ' HIS . 68.0 mttm 44.51 -99.54 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.3 0 O-C-N 123.998 0.811 . . . . 5.25 112.529 176.153 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 517' ' ' GLY . . . . . 0.517 ' HA3' ' HA ' ' A' ' 565' ' ' TYR . . . -65.93 -32.32 82.29 Favored Glycine 0 N--CA 1.438 -1.198 0 C-N-CA 120.755 -0.736 . . . . 3.29 112.347 -175.708 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 518' ' ' ALA . . . . . . . . . . . . . . . 174.75 -39.79 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.256 0 O-C-N 123.681 0.283 . . . . 2.38 111.134 -178.473 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 519' ' ' GLY . . . . . 0.432 ' HA2' ' O ' ' A' ' 563' ' ' MET . . . 68.28 63.21 3.7 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.249 -0.977 . . . . 1.58 110.81 -171.073 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -97.6 161.01 13.97 Favored 'General case' 0 CA--C 1.514 -0.414 0 CA-C-O 120.745 0.307 . . . . 2.39 110.659 -177.46 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 521' ' ' VAL . . . . . 0.478 HG22 ' HG ' ' A' ' 599' ' ' LEU . 74.0 t -111.47 133.11 58.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.471 0.653 . . . . 0.44 111.728 -176.644 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 522' ' ' VAL . . . . . . . . . . . . . 84.5 t -106.7 135.25 45.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-N 114.861 -1.063 . . . . 0.25 108.983 173.295 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 4.2 p-80 -105.37 137.03 43.84 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.238 -0.585 . . . . 1.75 109.587 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 524' ' ' ILE . . . . . 0.619 HD12 HG13 ' A' ' 537' ' ' VAL . 74.1 mt -111.36 125.48 68.68 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.952 0 CA-C-N 115.588 -0.733 . . . . 0.28 110.191 179.34 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 525' ' ' CYS . . . . . 0.496 ' SG ' ' HB3' ' A' ' 589' ' ' LEU . 22.7 p -118.15 176.53 5.17 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.664 -0.698 . . . . 1.28 110.195 -178.523 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 526' ' ' ASN . . . . . 0.401 ' HB2' ' O ' ' A' ' 525' ' ' CYS . 18.7 m120 69.76 26.52 4.85 Favored 'General case' 0 N--CA 1.464 0.237 0 O-C-N 123.829 0.705 . . . . 1.22 110.349 -177.442 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 79.0 mt -81.81 121.72 79.6 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 115.764 -0.653 . . . . 0.6 111.485 -176.405 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 528' ' ' PRO . . . . . 0.49 ' HD2' ' SG ' ' A' ' 532' ' ' CYS . 45.9 Cg_endo -69.28 133.01 25.35 Favored 'Trans proline' 0 C--O 1.236 0.424 0 C-N-CA 122.875 2.384 . . . . 0.62 111.823 174.596 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -67.52 124.62 23.71 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.905 -0.589 . . . . 2.98 111.135 -177.214 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 73.15 5.96 67.51 Favored Glycine 0 CA--C 1.519 0.327 0 CA-C-N 116.131 -0.486 . . . . 0.94 113.703 174.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 23.6 t -104.9 -35.56 7.66 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 117.301 0.55 . . . . 1.17 110.613 -179.143 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 532' ' ' CYS . . . . . 0.49 ' SG ' ' HD2' ' A' ' 528' ' ' PRO . 76.5 m -85.91 141.96 29.19 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.371 -0.377 . . . . 0.77 110.17 176.089 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 46.8 p -105.39 170.02 8.13 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.81 -0.441 . . . . 0.54 109.81 178.662 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -55.34 -44.13 75.62 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.23 0.538 . . . . 1.32 109.845 175.786 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -66.27 -43.11 87.37 Favored 'General case' 0 C--O 1.221 -0.436 0 CA-C-N 115.289 -0.869 . . . . 1.95 111.641 -175.139 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 536' ' ' ASP . . . . . 0.6 ' O ' ' HG ' ' A' ' 540' ' ' LEU . 15.7 m-20 -58.55 -46.81 86.06 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.881 -0.328 . . . . 0.52 111.356 -177.26 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 537' ' ' VAL . . . . . 0.619 HG13 HD12 ' A' ' 524' ' ' ILE . 48.6 t -62.36 -45.48 98.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.961 -0.563 . . . . 0.25 110.734 -177.6 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 88.9 mt -67.26 -44.96 87.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.915 -0.584 . . . . 0.24 110.925 179.204 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 539' ' ' ASN . . . . . 0.535 ' O ' ' HD3' ' A' ' 543' ' ' PRO . 5.8 m-20 -62.93 -28.28 69.96 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.495 -0.775 . . . . 1.07 111.832 -177.43 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 540' ' ' LEU . . . . . 0.6 ' HG ' ' O ' ' A' ' 536' ' ' ASP . 31.6 mt -66.25 -38.93 89.03 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 111.74 0.274 . . . . 0.36 111.74 178.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -74.89 -39.18 39.46 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.28 -0.962 . . . . 0.22 112.455 -177.601 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 542' ' ' LEU . . . . . 0.524 ' HA ' ' O ' ' A' ' 545' ' ' GLY . 79.1 mt -48.72 -46.62 72.41 Favored Pre-proline 0 CA--C 1.543 0.707 0 N-CA-C 114.969 1.47 . . . . 0.25 114.969 -172.838 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 543' ' ' PRO . . . . . 0.535 ' HD3' ' O ' ' A' ' 539' ' ' ASN . 69.7 Cg_exo -49.74 -33.75 33.28 Favored 'Trans proline' 0 C--N 1.358 1.027 0 C-N-CA 122.191 1.928 . . . . 0.19 115.374 -173.29 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 544' ' ' PHE . . . . . 0.503 ' HB2' ' CB ' ' A' ' 572' ' ' MET . 93.6 m-85 -111.32 -17.98 13.03 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 113.012 0.745 . . . . 0.35 113.012 178.809 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 545' ' ' GLY . . . . . 0.524 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . -149.67 141.74 9.13 Favored Glycine 0 CA--C 1.522 0.503 0 C-N-CA 120.912 -0.661 . . . . 1.14 112.935 177.004 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 546' ' ' LYS . . . . . 0.434 ' O ' ' HA ' ' A' ' 563' ' ' MET . 59.1 tptt -74.41 135.59 42.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.758 0.313 . . . . 1.56 111.377 -178.609 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 547' ' ' VAL . . . . . 0.481 ' HA ' ' O ' ' A' ' 562' ' ' GLU . 89.3 t -91.68 136.08 25.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.646 -0.706 . . . . 0.25 110.961 179.128 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 31.7 p -104.31 -38.26 6.92 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.771 -0.65 . . . . 0.37 111.505 176.393 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 60.3 m-80 -150.12 165.79 31.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.011 -0.54 . . . . 1.43 110.248 -176.142 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 550' ' ' TYR . . . . . 0.423 ' O ' HD21 ' A' ' 601' ' ' LEU . 18.2 p90 -146.83 149.66 33.73 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 110.005 -0.368 . . . . 0.47 110.005 173.451 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 551' ' ' ILE . . . . . 0.404 HD12 HD22 ' A' ' 599' ' ' LEU . 34.6 mt -137.59 127.35 36.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 109.078 -0.712 . . . . 0.37 109.078 173.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 552' ' ' LEU . . . . . . . . . . . . . 53.4 mt -110.18 110.78 21.75 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 116.111 -0.495 . . . . 0.45 111.179 -175.107 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 26.3 mmt -96.04 84.11 3.76 Favored 'General case' 0 N--CA 1.445 -0.694 0 N-CA-C 108.865 -0.791 . . . . 1.18 108.865 175.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -68.6 -29.42 67.94 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.229 -0.896 . . . . 1.45 109.804 -179.455 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 61.2 p -63.16 -31.48 72.63 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.19 -0.914 . . . . 1.11 111.878 178.492 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 82.8 p -105.22 3.15 29.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.872 0.367 . . . . 0.88 110.574 -178.72 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 56.92 41.52 27.71 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.175 -0.92 . . . . 2.35 110.87 -176.446 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 -137.94 150.07 46.73 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.938 -0.574 . . . . 2.07 110.242 -174.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -129.95 143.79 50.98 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.724 0.297 . . . . 0.27 111.032 -178.576 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 560' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -126.18 132.99 51.68 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.866 -0.607 . . . . 0.33 110.131 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 561' ' ' LEU . . . . . 0.489 ' HB3' ' HE1' ' A' ' 563' ' ' MET . 18.1 tp -127.16 138.7 53.2 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.049 -0.523 . . . . 0.22 109.971 -175.716 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 562' ' ' GLU . . . . . 0.481 ' O ' ' HA ' ' A' ' 547' ' ' VAL . 30.8 tt0 -107.63 138.85 43.11 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.481 0.182 . . . . 1.85 110.966 -175.442 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 563' ' ' MET . . . . . 0.493 ' HE2' ' SD ' ' A' ' 572' ' ' MET . 1.2 mpt? -116.33 142.86 46.3 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.323 0.582 . . . . 0.96 111.779 -177.388 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -67.24 -23.24 65.69 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.075 -0.966 . . . . 0.36 112.317 -175.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 565' ' ' TYR . . . . . 0.517 ' HA ' ' HA3' ' A' ' 517' ' ' GLY . 88.0 m-85 -133.91 146.35 50.44 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 116.532 -0.303 . . . . 1.27 110.187 -179.121 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 4.1 t -65.39 -39.63 92.48 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.221 -0.445 . . . . 0.52 110.582 179.409 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -67.85 -31.66 71.63 Favored 'General case' 0 C--O 1.223 -0.291 0 CA-C-N 116.662 -0.245 . . . . 1.91 110.509 176.281 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 568' ' ' ALA . . . . . 0.437 ' HB1' ' CA ' ' A' ' 545' ' ' GLY . . . -62.11 -45.14 94.8 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.012 0.434 . . . . 0.28 109.923 177.839 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 569' ' ' ALA . . . . . 0.457 ' O ' ' HG2' ' A' ' 572' ' ' MET . . . -68.09 -46.3 71.37 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.782 -0.644 . . . . 0.19 111.384 178.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 570' ' ' GLN . . . . . 0.454 ' O ' ' HG3' ' A' ' 574' ' ' GLN . 50.4 mt-30 -68.51 -45.47 72.19 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.36 -0.382 . . . . 1.21 111.604 -176.821 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -62.18 -39.86 94.11 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.523 0.201 . . . . 0.31 111.393 -176.613 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 572' ' ' MET . . . . . 0.503 ' CB ' ' HB2' ' A' ' 544' ' ' PHE . 15.5 ptp -67.06 -43.45 82.65 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 109.678 -0.49 . . . . 0.62 109.678 179.413 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 573' ' ' VAL . . . . . 0.761 HG13 ' HA ' ' A' ' 591' ' ' ARG . 67.8 t -66.62 -37.04 78.72 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.666 0 CA-C-N 115.99 -0.55 . . . . 0.21 111.169 -178.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 574' ' ' GLN . . . . . 0.454 ' HG3' ' O ' ' A' ' 570' ' ' GLN . 55.1 mt-30 -58.56 -36.76 74.44 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.643 -0.502 . . . . 1.9 109.643 175.494 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 61.8 t80 -68.71 -50.05 53.98 Favored 'General case' 0 C--O 1.217 -0.638 0 CA-C-N 115.987 -0.551 . . . . 0.52 110.8 173.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 576' ' ' TYR . . . . . 0.48 ' CB ' ' HB ' ' A' ' 590' ' ' ILE . 21.1 m-85 -76.59 -16.95 59.46 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 112.95 0.722 . . . . 0.34 112.95 -172.723 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 16.7 mm-40 -74.14 -29.64 61.9 Favored 'General case' 0 C--N 1.319 -0.757 0 O-C-N 122.215 -0.303 . . . . 1.84 110.465 172.691 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -98.34 -40.52 8.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.951 0.405 . . . . 2.07 111.74 178.426 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 57.2 mtpt -131.81 80.76 64.96 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 115.91 -0.586 . . . . 2.07 109.842 179.292 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 15.7 Cg_exo -70.35 159.43 53.0 Favored 'Trans proline' 0 CA--C 1.532 0.409 0 C-N-CA 123.577 2.851 . . . . 0.19 112.451 -174.759 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -93.15 149.2 21.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.325 -0.398 . . . . 0.2 111.055 -172.221 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 582' ' ' ILE . . . . . 0.405 ' HA ' ' O ' ' A' ' 586' ' ' GLU . 61.3 mt -112.25 131.33 64.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.378 -0.374 . . . . 0.54 111.508 -175.015 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 583' ' ' ILE . . . . . 0.541 HD13 ' HB3' ' A' ' 536' ' ' ASP . 41.7 mt -122.23 117.91 53.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.291 -0.413 . . . . 0.73 110.437 173.146 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 53.72 41.83 31.97 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.854 -0.612 . . . . 1.46 111.624 177.057 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 86.33 -1.37 87.45 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.872 -0.68 . . . . 0.67 113.337 177.326 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 586' ' ' GLU . . . . . 0.405 ' O ' ' HA ' ' A' ' 582' ' ' ILE . 70.5 mm-40 -102.51 126.23 49.49 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 117.139 0.47 . . . . 1.93 110.516 178.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -81.51 107.85 14.61 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.822 -0.436 . . . . 2.12 109.822 176.012 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 588' ' ' LEU . . . . . 0.539 HD11 HD12 ' A' ' 583' ' ' ILE . 37.8 mt -87.92 129.91 35.09 Favored 'General case' 0 CA--C 1.507 -0.708 0 CA-C-N 116.183 -0.462 . . . . 0.28 110.339 -179.192 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 589' ' ' LEU . . . . . 0.496 ' HB3' ' SG ' ' A' ' 525' ' ' CYS . 48.0 tp -87.62 108.76 19.23 Favored 'General case' 0 C--N 1.311 -1.08 0 N-CA-C 108.85 -0.796 . . . . 0.38 108.85 173.399 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 590' ' ' ILE . . . . . 0.48 ' HB ' ' CB ' ' A' ' 576' ' ' TYR . 45.1 mt -97.29 115.52 37.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 N-CA-C 108.334 -0.987 . . . . 0.17 108.334 177.222 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 591' ' ' ARG . . . . . 0.761 ' HA ' HG13 ' A' ' 573' ' ' VAL . 7.7 ptp180 -147.95 166.26 28.22 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 112.635 0.606 . . . . 3.0 112.635 -175.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 592' ' ' MET . . . . . 0.581 ' HG2' HG11 ' A' ' 573' ' ' VAL . 0.2 OUTLIER -61.7 133.87 56.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.239 -0.891 . . . . 0.33 110.249 -173.232 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 22.6 t -87.1 126.77 34.99 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-O 120.879 0.371 . . . . 1.04 110.372 179.393 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 39.5 p -99.29 -7.5 26.28 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.44 0.638 . . . . 1.6 110.074 175.397 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 36.3 mmt180 -87.61 -40.27 14.35 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 115.388 -0.823 . . . . 2.94 111.04 -179.259 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -117.47 133.24 56.18 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.059 0.457 . . . . 0.93 110.795 178.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -92.15 -34.96 14.12 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.52 -0.764 . . . . 3.4 110.865 175.516 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -149.23 144.75 26.73 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.572 -0.74 . . . . 2.02 110.263 -177.081 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 599' ' ' LEU . . . . . 0.478 ' HG ' HG22 ' A' ' 521' ' ' VAL . 87.8 mt -95.13 -62.2 1.35 Allowed 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.388 -0.597 . . . . 1.02 109.388 173.153 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 600' ' ' GLN . . . . . 0.594 ' O ' ' HG2' ' A' ' 603' ' ' LYS . 32.3 mt-30 42.81 86.58 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.485 0 O-C-N 124.569 1.168 . . . . 2.87 112.106 -177.39 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 601' ' ' LEU . . . . . 0.423 HD21 ' O ' ' A' ' 550' ' ' TYR . 52.1 mt -62.3 147.04 49.4 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 110.342 -0.244 . . . . 1.47 110.342 -179.388 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp 60.19 56.41 3.3 Favored 'General case' 0 CA--C 1.52 -0.206 0 N-CA-C 108.812 -0.811 . . . . 5.4 108.812 -169.28 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 603' ' ' LYS . . . . . 0.594 ' HG2' ' O ' ' A' ' 600' ' ' GLN . 18.4 mtpp -55.3 117.42 14.61 Favored Pre-proline 0 C--O 1.235 0.291 0 CA-C-N 115.093 -0.958 . . . . 5.81 111.97 -172.335 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 604' ' ' PRO . . . . . 0.468 ' CB ' HG22 ' A' ' 608' ' ' VAL . 69.2 Cg_endo -76.59 92.81 1.07 Allowed 'Trans proline' 0 N--CA 1.456 -0.708 0 C-N-CA 122.602 2.202 . . . . 6.24 111.818 177.489 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 605' ' ' GLY . . . . . . . . . . . . . . . -69.23 81.46 0.26 Allowed Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 121.048 -0.596 . . . . 6.9 112.341 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt 62.31 30.69 17.52 Favored 'General case' 0 C--O 1.234 0.252 0 C-N-CA 122.886 0.474 . . . . 8.87 110.989 -179.613 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -153.48 99.18 2.31 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.074 -0.512 . . . . 9.21 111.164 -179.364 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 608' ' ' VAL . . . . . 0.468 HG22 ' CB ' ' A' ' 604' ' ' PRO . 18.3 t -121.71 -78.26 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 N-CA-C 108.714 -0.847 . . . . 9.63 108.714 172.222 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 609' ' ' ALA . . . . . 0.498 ' HB1' ' OXT' ' A' ' 621' ' ' ARG . . . -155.0 -54.28 0.09 Allowed 'General case' 0 N--CA 1.44 -0.944 0 CA-C-N 114.746 -1.115 . . . . 9.47 108.027 175.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 610' ' ' ALA . . . . . 0.521 ' O ' HG13 ' A' ' 612' ' ' ILE . . . -158.38 103.54 1.79 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.304 -1.317 . . . . 9.11 108.577 173.794 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 65.5 mt -64.16 102.93 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.414 0.626 . . . . 8.31 111.202 -173.775 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 612' ' ' ILE . . . . . 0.521 HG13 ' O ' ' A' ' 610' ' ' ALA . 60.1 mt -119.78 87.97 1.17 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.808 0 CA-C-N 115.216 -0.902 . . . . 8.86 109.783 179.648 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -85.0 -18.26 35.02 Favored 'General case' 0 C--N 1.323 -0.543 0 CA-C-N 116.014 -0.539 . . . . 10.28 110.413 -179.513 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -64.93 -35.69 81.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.0 -0.545 . . . . 10.41 110.563 178.03 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 615' ' ' ILE . . . . . 0.427 ' H ' HG22 ' A' ' 612' ' ' ILE . 63.4 mt -96.14 115.71 36.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 109.311 -0.626 . . . . 8.61 109.311 175.653 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 616' ' ' HIS . . . . . 0.544 ' HB3' ' O ' ' A' ' 516' ' ' LYS . 31.4 m-70 -80.16 -36.48 35.05 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.956 -0.565 . . . . 6.75 111.056 -175.454 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 50.8 m -86.11 -176.16 5.83 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.855 -0.611 . . . . 6.99 110.555 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 618' ' ' GLN . . . . . . . . . . . . . 57.9 mt-30 64.39 -179.37 0.17 Allowed 'General case' 0 C--O 1.235 0.32 0 CA-C-O 121.493 0.663 . . . . 9.26 111.945 176.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 70.6 mtp180 -122.56 147.47 46.35 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.255 -0.884 . . . . 12.9 109.938 177.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 620' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -77.87 121.83 24.65 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.097 -0.501 . . . . 11.34 109.864 179.388 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 621' ' ' ARG . . . . . 0.498 ' OXT' ' HB1' ' A' ' 609' ' ' ALA . 28.6 mmm180 . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.471 -0.776 . . . . 11.46 110.588 -178.426 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.671 0 N-CA-C 112.427 -0.269 . . . . 6.72 112.427 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . -146.74 92.5 2.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.042 0.449 . . . . 5.43 110.921 179.326 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 22.0 mmt -101.71 -20.1 15.11 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.317 0.579 . . . . 6.23 110.159 177.263 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 513' ' ' ALA . . . . . 0.553 ' HB1' ' HB ' ' A' ' 548' ' ' THR . . . -130.19 -172.28 2.75 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.465 -0.788 . . . . 2.28 110.447 -175.802 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 514' ' ' GLN . . . . . 0.464 ' NE2' ' HB2' ' A' ' 598' ' ' GLU . 69.5 mt-30 59.8 39.32 20.83 Favored 'General case' 0 N--CA 1.465 0.309 0 O-C-N 123.732 0.645 . . . . 5.14 110.711 175.196 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 35.2 mmt180 -54.87 -45.48 74.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.637 -0.711 . . . . 6.6 112.361 -173.292 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 516' ' ' LYS . . . . . 0.465 ' C ' ' H ' ' A' ' 518' ' ' ALA . 74.3 mmtt -76.31 -10.51 59.46 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.026 0.38 . . . . 5.25 112.026 -176.598 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . 73.06 -26.94 0.79 Allowed Glycine 0 CA--C 1.52 0.353 0 C-N-CA 121.143 -0.551 . . . . 3.29 112.787 -178.612 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 518' ' ' ALA . . . . . 0.549 ' O ' ' HB ' ' A' ' 566' ' ' THR . . . -97.76 -3.72 38.47 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 122.809 0.443 . . . . 2.38 110.563 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -47.45 133.22 15.0 Favored Glycine 0 C--O 1.229 -0.188 0 CA-C-N 115.463 -0.79 . . . . 1.58 112.035 177.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 78.2 mtp180 -113.45 163.79 14.44 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.181 0.515 . . . . 2.39 111.34 -173.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 81.4 t -98.72 135.09 35.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.032 -0.985 . . . . 0.44 110.475 177.28 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 522' ' ' VAL . . . . . 0.44 HG22 ' HE3' ' A' ' 592' ' ' MET . 95.1 t -101.68 133.8 44.02 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.853 0 N-CA-C 109.093 -0.706 . . . . 0.25 109.093 173.494 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -106.92 129.42 54.74 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.5 -0.556 . . . . 1.75 109.5 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 524' ' ' ILE . . . . . 0.658 HD12 HG13 ' A' ' 537' ' ' VAL . 74.6 mt -107.36 129.21 61.59 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.958 0 CA-C-N 115.793 -0.64 . . . . 0.28 109.863 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 7.6 p -121.72 174.9 6.54 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.642 -0.708 . . . . 1.28 111.094 -174.794 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 16.9 m120 66.7 33.97 6.01 Favored 'General case' 0 N--CA 1.463 0.22 0 O-C-N 123.738 0.649 . . . . 1.22 110.555 178.327 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 85.2 mt -90.32 120.99 69.04 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 115.457 -0.792 . . . . 0.6 111.176 -177.122 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 528' ' ' PRO . . . . . 0.762 ' HD2' ' SG ' ' A' ' 532' ' ' CYS . 12.6 Cg_exo -70.21 131.04 19.8 Favored 'Trans proline' 0 C--O 1.237 0.431 0 C-N-CA 122.542 2.161 . . . . 0.62 111.926 171.873 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.42 140.33 54.13 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.374 -0.375 . . . . 2.98 110.772 175.333 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 83.73 -18.45 20.29 Favored Glycine 0 N--CA 1.448 -0.52 0 CA-C-N 115.906 -0.588 . . . . 0.94 113.513 177.13 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 17.8 m -104.74 -36.8 7.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 117.325 0.563 . . . . 1.17 110.831 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 532' ' ' CYS . . . . . 0.762 ' SG ' ' HD2' ' A' ' 528' ' ' PRO . 73.5 m -87.8 124.98 34.18 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.753 0.311 . . . . 0.77 110.214 174.349 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 59.2 p -108.37 171.13 7.59 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.375 -0.375 . . . . 0.54 110.227 178.532 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -52.21 -46.94 65.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.032 0.444 . . . . 1.32 110.24 178.745 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -59.56 -43.13 93.65 Favored 'General case' 0 C--O 1.223 -0.294 0 CA-C-N 115.448 -0.796 . . . . 1.95 111.599 -177.475 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 536' ' ' ASP . . . . . 0.509 ' O ' ' HG ' ' A' ' 540' ' ' LEU . 60.8 m-20 -61.29 -47.64 85.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.837 0.351 . . . . 0.52 111.127 -174.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 537' ' ' VAL . . . . . 0.658 HG13 HD12 ' A' ' 524' ' ' ILE . 57.6 t -65.65 -44.39 93.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.723 -0.671 . . . . 0.25 110.628 -177.108 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 93.0 mt -67.0 -43.15 89.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.757 -0.656 . . . . 0.24 110.903 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 539' ' ' ASN . . . . . 0.676 ' O ' ' HD3' ' A' ' 543' ' ' PRO . 7.2 m-20 -64.4 -28.48 69.71 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.904 -0.589 . . . . 1.07 111.744 -179.301 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 540' ' ' LEU . . . . . 0.509 ' HG ' ' O ' ' A' ' 536' ' ' ASP . 37.5 mt -74.43 -28.65 61.15 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.447 0.536 . . . . 0.36 112.447 -178.562 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -79.64 -34.65 30.9 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 119.867 -1.159 . . . . 0.22 111.71 177.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 542' ' ' LEU . . . . . . . . . . . . . 66.1 mt -57.43 -35.23 32.6 Favored Pre-proline 0 CA--C 1.549 0.924 0 N-CA-C 115.835 1.791 . . . . 0.25 115.835 -174.395 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 543' ' ' PRO . . . . . 0.676 ' HD3' ' O ' ' A' ' 539' ' ' ASN . 86.1 Cg_exo -56.27 -34.34 93.47 Favored 'Trans proline' 0 C--N 1.354 0.849 0 CA-C-N 121.645 1.623 . . . . 0.19 114.904 -175.646 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 544' ' ' PHE . . . . . 0.402 ' HB2' ' CB ' ' A' ' 572' ' ' MET . 59.6 m-85 -111.84 -18.2 12.76 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 113.307 0.854 . . . . 0.35 113.307 178.63 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 545' ' ' GLY . . . . . 0.465 ' CA ' ' HB1' ' A' ' 568' ' ' ALA . . . -134.24 -162.54 9.97 Favored Glycine 0 C--O 1.224 -0.489 0 C-N-CA 120.776 -0.726 . . . . 1.14 113.354 178.223 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 546' ' ' LYS . . . . . 0.689 ' O ' ' HA ' ' A' ' 563' ' ' MET . 56.9 tptt -128.75 127.63 42.42 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 122.706 -0.29 . . . . 1.56 110.596 -179.755 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 547' ' ' VAL . . . . . 0.524 ' HA ' ' O ' ' A' ' 562' ' ' GLU . 99.5 t -91.16 130.53 40.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 123.363 0.414 . . . . 0.25 110.838 179.791 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 548' ' ' THR . . . . . 0.553 ' HB ' ' HB1' ' A' ' 513' ' ' ALA . 34.0 p -107.64 -39.16 5.68 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.911 -0.586 . . . . 0.37 111.57 176.608 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 73.0 m-20 -147.78 165.45 30.51 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.452 -0.795 . . . . 1.43 109.451 -175.319 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 17.4 p90 -153.39 148.35 26.6 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.074 0.464 . . . . 0.47 111.212 177.323 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 551' ' ' ILE . . . . . 0.433 HD12 HD22 ' A' ' 599' ' ' LEU . 15.6 mt -130.2 123.48 56.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 108.887 -0.783 . . . . 0.37 108.887 175.239 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 552' ' ' LEU . . . . . . . . . . . . . 77.2 mt -111.29 113.73 26.42 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 116.022 -0.535 . . . . 0.45 111.37 -174.171 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 54.7 mtt -108.4 84.86 2.01 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.423 -0.584 . . . . 1.18 109.423 175.369 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -68.5 -30.5 69.34 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.884 -0.598 . . . . 1.45 111.201 -177.347 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 71.7 p -60.7 -30.3 69.87 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.207 -0.451 . . . . 1.11 111.4 -179.56 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 556' ' ' THR . . . . . 0.53 ' O ' ' HG2' ' A' ' 558' ' ' GLN . 67.7 p -108.25 8.97 28.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.466 -0.334 . . . . 0.88 111.639 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 56.84 42.08 27.05 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 115.949 -0.569 . . . . 2.35 111.457 -179.567 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 558' ' ' GLN . . . . . 0.53 ' HG2' ' O ' ' A' ' 556' ' ' THR . 13.8 mm100 -136.25 148.78 48.2 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.77 0.319 . . . . 2.07 110.635 -174.599 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -134.83 144.81 47.8 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.311 -0.404 . . . . 0.27 110.839 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 560' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -123.35 126.79 47.49 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.07 -0.514 . . . . 0.33 109.664 179.289 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 15.5 tp -124.08 130.48 52.62 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.034 -0.53 . . . . 0.22 109.8 -174.16 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 562' ' ' GLU . . . . . 0.524 ' O ' ' HA ' ' A' ' 547' ' ' VAL . 39.3 tt0 -101.13 139.58 36.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.782 0.325 . . . . 1.85 111.57 -175.877 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 563' ' ' MET . . . . . 0.689 ' HA ' ' O ' ' A' ' 546' ' ' LYS . 0.6 OUTLIER -114.19 135.21 54.3 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.893 -0.594 . . . . 0.96 111.147 179.144 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 564' ' ' ALA . . . . . 0.452 ' HB2' ' CG2' ' A' ' 548' ' ' THR . . . -60.86 -29.48 69.55 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-N 115.053 -0.976 . . . . 0.36 111.175 -178.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -126.2 133.21 51.6 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 114.967 -1.015 . . . . 1.27 108.544 -177.387 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 566' ' ' THR . . . . . 0.549 ' HB ' ' O ' ' A' ' 518' ' ' ALA . 5.1 t -63.67 -31.29 72.41 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.871 0.367 . . . . 0.52 110.576 179.764 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -66.66 -33.05 74.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 1.91 110.478 176.33 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 568' ' ' ALA . . . . . 0.465 ' HB1' ' CA ' ' A' ' 545' ' ' GLY . . . -65.4 -43.67 89.88 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.048 -0.524 . . . . 0.28 110.193 178.546 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 569' ' ' ALA . . . . . 0.41 ' HB2' ' HB2' ' A' ' 563' ' ' MET . . . -67.69 -46.24 72.86 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.733 -0.667 . . . . 0.19 111.233 -179.804 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 570' ' ' GLN . . . . . 0.462 ' O ' ' HG2' ' A' ' 574' ' ' GLN . 55.2 mt-30 -66.62 -45.47 78.99 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.112 -0.495 . . . . 1.21 111.147 -177.762 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -66.55 -37.82 85.79 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.559 -0.291 . . . . 0.31 111.701 -176.247 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 572' ' ' MET . . . . . 0.537 ' SD ' ' HE2' ' A' ' 563' ' ' MET . 15.8 ptp -68.08 -43.68 78.0 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.572 -0.451 . . . . 0.62 109.994 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 573' ' ' VAL . . . . . 0.622 HG13 ' HA ' ' A' ' 591' ' ' ARG . 78.1 t -66.5 -35.27 74.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.959 -0.564 . . . . 0.21 111.387 -178.506 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 574' ' ' GLN . . . . . 0.462 ' HG2' ' O ' ' A' ' 570' ' ' GLN . 29.2 mm-40 -58.02 -38.19 75.73 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.451 -0.574 . . . . 1.9 109.451 175.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 575' ' ' TYR . . . . . 0.454 ' HD2' ' CD2' ' A' ' 576' ' ' TYR . 78.5 t80 -69.77 -49.79 49.57 Favored 'General case' 0 C--O 1.218 -0.553 0 CA-C-N 115.88 -0.6 . . . . 0.52 111.117 173.262 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 576' ' ' TYR . . . . . 0.491 ' CB ' ' HB ' ' A' ' 590' ' ' ILE . 20.1 m-85 -75.91 -17.57 59.72 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 113.41 0.893 . . . . 0.34 113.41 -170.34 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -76.18 -33.26 59.31 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 119.996 -0.682 . . . . 1.84 110.71 173.718 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -95.59 -37.55 10.8 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.155 -0.475 . . . . 2.07 111.077 -178.054 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -130.06 76.26 78.27 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.0 -0.545 . . . . 2.07 109.8 177.418 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_exo -70.2 159.37 53.33 Favored 'Trans proline' 0 C--O 1.234 0.324 0 C-N-CA 123.356 2.704 . . . . 0.19 113.051 -174.321 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -93.32 153.12 18.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.662 -0.699 . . . . 0.2 110.813 -174.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 582' ' ' ILE . . . . . 0.44 HG12 ' HG2' ' A' ' 587' ' ' LYS . 49.3 mt -115.61 132.9 63.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 120.973 0.416 . . . . 0.54 111.974 -172.412 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 583' ' ' ILE . . . . . 0.586 HD12 HD11 ' A' ' 588' ' ' LEU . 22.6 mt -122.04 116.57 49.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.963 -0.562 . . . . 0.73 110.546 172.246 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 19.1 m120 50.69 45.35 27.1 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 116.07 -0.514 . . . . 1.46 112.19 -179.519 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 83.52 1.14 90.2 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.773 -0.727 . . . . 0.67 113.344 175.652 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 586' ' ' GLU . . . . . 0.407 ' O ' ' HA ' ' A' ' 582' ' ' ILE . 23.9 mm-40 -102.81 126.47 49.96 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.905 0.353 . . . . 1.93 110.193 178.13 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 587' ' ' LYS . . . . . 0.44 ' HG2' HG12 ' A' ' 582' ' ' ILE . 98.9 mttt -84.95 107.57 17.15 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.865 -0.42 . . . . 2.12 109.865 177.521 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 588' ' ' LEU . . . . . 0.586 HD11 HD12 ' A' ' 583' ' ' ILE . 35.6 mt -83.22 128.59 34.62 Favored 'General case' 0 CA--C 1.501 -0.916 0 CA-C-N 116.326 -0.397 . . . . 0.28 110.332 -177.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 32.8 tp -84.06 106.85 16.04 Favored 'General case' 0 N--CA 1.433 -1.296 0 N-CA-C 108.133 -1.062 . . . . 0.38 108.133 171.494 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 590' ' ' ILE . . . . . 0.491 ' HB ' ' CB ' ' A' ' 576' ' ' TYR . 63.8 mt -96.26 115.31 35.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 N-CA-C 107.867 -1.161 . . . . 0.17 107.867 177.325 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 591' ' ' ARG . . . . . 0.622 ' HA ' HG13 ' A' ' 573' ' ' VAL . 19.9 ptt180 -147.32 165.31 30.52 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 112.392 0.515 . . . . 3.0 112.392 -171.007 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 592' ' ' MET . . . . . 0.505 ' HG2' HG11 ' A' ' 573' ' ' VAL . 0.1 OUTLIER -63.15 143.3 57.91 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.499 -0.773 . . . . 0.33 110.637 -173.508 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 38.3 t -86.89 134.95 33.48 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.828 0.347 . . . . 1.04 110.381 176.605 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 10.8 m -99.03 -17.2 18.39 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.41 0.624 . . . . 1.6 109.807 174.216 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -85.24 -40.83 16.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.718 -0.674 . . . . 2.94 111.283 -176.473 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 43.0 m-85 -114.07 134.01 55.15 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.245 0.545 . . . . 0.93 111.385 -178.047 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -90.5 -35.61 14.99 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.109 -0.951 . . . . 3.4 109.434 173.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 598' ' ' GLU . . . . . 0.464 ' HB2' ' NE2' ' A' ' 514' ' ' GLN . 12.4 pt-20 -153.61 148.92 27.04 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.204 -0.907 . . . . 2.02 109.365 -179.068 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 599' ' ' LEU . . . . . 0.45 HD12 ' HB2' ' A' ' 562' ' ' GLU . 91.5 mt -94.46 103.98 15.95 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.568 -0.53 . . . . 1.02 109.568 175.287 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -82.47 67.74 8.64 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 121.009 0.433 . . . . 2.87 110.875 -173.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 53.7 mt -97.5 41.01 1.13 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.652 0.739 . . . . 1.47 110.746 179.534 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 51.7 tptt -155.21 55.33 0.64 Allowed 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 114.776 -1.102 . . . . 5.4 108.4 176.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -69.2 110.67 6.62 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 114.791 -1.095 . . . . 5.81 110.501 -177.423 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 604' ' ' PRO . . . . . . . . . . . . . 4.9 Cg_exo -73.02 -65.71 0.03 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.388 0 C-N-CA 123.052 2.501 . . . . 6.24 112.395 -178.228 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 605' ' ' GLY . . . . . . . . . . . . . . . 62.58 35.14 91.39 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.519 -0.848 . . . . 6.9 111.208 -175.12 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -130.31 130.86 45.02 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.697 0.284 . . . . 8.87 110.531 -176.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 44.2 m-80 -95.85 -20.45 18.79 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.183 0.516 . . . . 9.21 109.889 176.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 84.8 t -72.22 -40.43 65.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.602 -0.726 . . . . 9.63 110.068 175.271 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -64.15 111.18 2.45 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 114.987 -1.006 . . . . 9.47 110.57 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -67.76 100.44 0.92 Allowed 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.381 -0.827 . . . . 9.11 109.942 177.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 57.8 mt -82.33 78.43 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-O 121.669 0.747 . . . . 8.31 110.423 -177.518 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 612' ' ' ILE . . . . . 0.579 ' H ' ' HB3' ' A' ' 620' ' ' GLU . 53.0 mt -87.25 84.29 2.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.238 -0.892 . . . . 8.86 110.203 178.186 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -111.5 1.94 17.18 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.185 -0.461 . . . . 10.28 111.304 -178.28 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -59.81 -50.85 72.2 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 121.064 0.459 . . . . 10.41 109.96 176.054 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 615' ' ' ILE . . . . . . . . . . . . . 29.3 pt -72.04 136.0 26.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.799 -0.637 . . . . 8.61 109.742 174.306 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 39.2 m80 -77.78 -3.38 41.09 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.338 0.589 . . . . 6.75 111.125 -175.279 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 10.0 m -80.66 -19.69 44.7 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.578 -0.737 . . . . 6.99 109.043 169.702 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 618' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 43.58 71.09 0.26 Allowed 'General case' 0 C--O 1.235 0.33 0 C-N-CA 123.535 0.734 . . . . 9.26 111.889 179.552 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -98.33 68.98 1.93 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.278 -0.874 . . . . 12.9 109.053 177.11 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 620' ' ' GLU . . . . . 0.579 ' HB3' ' H ' ' A' ' 612' ' ' ILE . 0.0 OUTLIER -98.5 176.17 5.77 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.616 -0.72 . . . . 11.34 111.534 -175.467 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 31.3 ptt180 . . . . . 0 C--O 1.248 0.981 0 CA-C-O 117.616 -1.183 . . . . 11.46 110.174 177.118 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.709 0 N-CA-C 111.773 -0.531 . . . . 6.72 111.773 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . -80.59 -28.23 37.17 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.007 0.373 . . . . 5.43 112.007 -174.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 89.2 mtp -125.35 104.45 8.47 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.033 0.444 . . . . 6.23 111.182 -179.486 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 513' ' ' ALA . . . . . 0.593 ' HA ' ' HB ' ' A' ' 548' ' ' THR . . . -146.17 156.05 43.14 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.737 -0.665 . . . . 2.28 109.679 176.383 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 514' ' ' GLN . . . . . 0.574 HE22 ' HB2' ' A' ' 598' ' ' GLU . 81.7 mm-40 68.67 -72.93 0.09 Allowed 'General case' 0 N--CA 1.463 0.198 0 O-C-N 123.99 0.806 . . . . 5.14 110.482 -178.116 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 515' ' ' ARG . . . . . 0.431 ' NH2' ' HB3' ' A' ' 617' ' ' SER . 27.3 mmm180 67.03 -60.64 0.36 Allowed 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 123.744 0.818 . . . . 6.6 112.234 177.479 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp -86.45 159.45 19.32 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.451 -0.574 . . . . 5.25 109.451 174.57 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -78.85 24.65 2.72 Favored Glycine 0 C--N 1.329 0.192 0 C-N-CA 120.92 -0.657 . . . . 3.29 112.857 -176.753 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 518' ' ' ALA . . . . . . . . . . . . . . . -155.46 -79.98 0.08 Allowed 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.42 -0.585 . . . . 2.38 109.42 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 75.14 168.47 22.96 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.969 -0.634 . . . . 1.58 112.011 -179.49 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 520' ' ' ARG . . . . . 0.465 ' HG3' ' OG1' ' A' ' 566' ' ' THR . 31.8 mtp180 -146.91 154.65 41.54 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.265 0.555 . . . . 2.39 110.944 176.265 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 76.5 t -109.25 137.18 42.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 114.812 -1.085 . . . . 0.44 110.093 178.257 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 522' ' ' VAL . . . . . 0.419 HG11 ' CG2' ' A' ' 590' ' ' ILE . 83.3 t -100.93 133.1 45.26 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 CA-C-N 115.991 -0.55 . . . . 0.25 110.294 176.808 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 19.3 t-160 -106.84 117.94 35.37 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.394 -0.965 . . . . 1.75 108.394 178.182 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 524' ' ' ILE . . . . . 0.514 HD12 HG13 ' A' ' 537' ' ' VAL . 82.0 mt -101.43 129.57 52.33 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.913 0 CA-C-O 121.032 0.444 . . . . 0.28 110.474 -173.645 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 525' ' ' CYS . . . . . 0.602 ' HA ' ' OE1' ' A' ' 558' ' ' GLN . 8.5 m -114.01 171.5 7.56 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 114.959 -1.019 . . . . 1.28 110.587 -174.503 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 67.31 26.22 8.58 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.835 -0.62 . . . . 1.22 110.771 178.122 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 527' ' ' LEU . . . . . 0.477 HD21 HD13 ' A' ' 588' ' ' LEU . 82.2 mt -81.78 132.43 54.54 Favored Pre-proline 0 C--N 1.321 -0.639 0 CA-C-N 115.758 -0.655 . . . . 0.6 110.486 179.196 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 528' ' ' PRO . . . . . 0.507 ' HD2' ' SG ' ' A' ' 532' ' ' CYS . 37.4 Cg_endo -69.53 132.36 23.53 Favored 'Trans proline' 0 C--O 1.238 0.502 0 C-N-CA 122.279 1.986 . . . . 0.62 111.361 171.24 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -67.29 125.15 25.18 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.145 -0.48 . . . . 2.98 111.617 -177.322 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 77.36 -18.22 4.57 Favored Glycine 0 CA--C 1.519 0.339 0 CA-C-N 116.02 -0.536 . . . . 0.94 114.046 172.581 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 8.5 t -82.84 -33.98 26.95 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 117.274 0.537 . . . . 1.17 110.265 -177.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 532' ' ' CYS . . . . . 0.507 ' SG ' ' HD2' ' A' ' 528' ' ' PRO . 56.1 m -68.96 143.48 54.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.938 -0.574 . . . . 0.77 110.383 178.568 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 44.7 p -105.91 169.19 8.63 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.501 -0.555 . . . . 0.54 109.501 174.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -62.44 -37.71 86.92 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.485 0.66 . . . . 1.32 109.393 175.461 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -68.45 -44.17 75.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 114.951 -1.022 . . . . 1.95 111.732 -174.149 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 536' ' ' ASP . . . . . 0.469 ' O ' ' HG ' ' A' ' 540' ' ' LEU . 40.7 m-20 -60.59 -47.57 85.62 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 120.852 0.358 . . . . 0.52 111.65 -175.436 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 537' ' ' VAL . . . . . 0.514 HG13 HD12 ' A' ' 524' ' ' ILE . 76.9 t -62.5 -42.27 95.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.85 -0.614 . . . . 0.25 110.65 -176.76 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 538' ' ' ILE . . . . . 0.486 ' O ' ' HG ' ' A' ' 542' ' ' LEU . 85.2 mt -67.24 -44.95 87.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 116.097 -0.502 . . . . 0.24 110.4 177.573 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 539' ' ' ASN . . . . . 0.439 ' O ' ' HD3' ' A' ' 543' ' ' PRO . 84.7 m-20 -60.48 -28.89 68.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.796 -0.638 . . . . 1.07 111.523 -179.232 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 540' ' ' LEU . . . . . 0.514 HD22 ' HB1' ' A' ' 581' ' ' ALA . 43.3 mt -75.12 -34.31 61.67 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.013 0.375 . . . . 0.36 112.013 178.589 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -75.33 -42.81 27.06 Favored Glycine 0 N--CA 1.453 -0.195 0 C-N-CA 120.218 -0.991 . . . . 0.22 112.221 -178.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 542' ' ' LEU . . . . . 0.573 ' HA ' ' O ' ' A' ' 545' ' ' GLY . 82.1 mt -48.11 -44.31 60.42 Favored Pre-proline 0 CA--C 1.546 0.814 0 N-CA-C 114.963 1.468 . . . . 0.25 114.963 -174.372 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 543' ' ' PRO . . . . . 0.455 ' HD2' ' O ' ' A' ' 540' ' ' LEU . 44.9 Cg_exo -48.02 -34.74 23.81 Favored 'Trans proline' 0 C--N 1.36 1.176 0 C-N-CA 122.451 2.1 . . . . 0.19 115.75 -173.089 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 544' ' ' PHE . . . . . 0.54 ' HB2' ' CB ' ' A' ' 572' ' ' MET . 93.9 m-85 -112.67 -18.9 12.24 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 119.825 -0.75 . . . . 0.35 112.954 176.419 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 545' ' ' GLY . . . . . 0.573 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . -147.64 140.37 8.43 Favored Glycine 0 C--O 1.226 -0.396 0 C-N-CA 120.672 -0.775 . . . . 1.14 112.982 176.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 546' ' ' LYS . . . . . 0.48 ' O ' ' HA ' ' A' ' 563' ' ' MET . 23.9 tptm -76.64 134.7 39.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.943 0.402 . . . . 1.56 111.507 -178.666 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 547' ' ' VAL . . . . . 0.516 ' HA ' ' O ' ' A' ' 562' ' ' GLU . 96.5 t -94.55 136.49 25.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.406 -0.816 . . . . 0.25 110.579 -179.751 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 548' ' ' THR . . . . . 0.593 ' HB ' ' HA ' ' A' ' 513' ' ' ALA . 37.4 p -100.02 -40.81 7.45 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.138 -0.483 . . . . 0.37 111.496 177.657 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -163.15 168.86 20.2 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.022 -0.733 . . . . 1.43 109.022 -178.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 550' ' ' TYR . . . . . 0.464 ' CD2' HD11 ' A' ' 538' ' ' ILE . 51.0 p90 -141.4 152.08 44.02 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.979 0.418 . . . . 0.47 111.578 -174.744 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 551' ' ' ILE . . . . . 0.453 HD12 HD22 ' A' ' 599' ' ' LEU . 46.4 mt -122.34 121.57 64.14 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.578 0 N-CA-C 108.119 -1.067 . . . . 0.37 108.119 167.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 552' ' ' LEU . . . . . . . . . . . . . 50.7 mt -111.62 111.29 22.18 Favored 'General case' 0 C--N 1.311 -1.098 0 CA-C-N 116.282 -0.417 . . . . 0.45 110.517 -177.735 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 60.9 mtt -107.13 85.06 2.07 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 109.199 -0.667 . . . . 1.18 109.199 176.352 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.52 -28.73 69.39 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 108.768 -0.827 . . . . 1.45 108.768 179.167 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 62.1 p -58.21 -23.94 57.41 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 114.609 -1.178 . . . . 1.11 112.223 176.136 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 77.4 p -107.7 3.85 25.1 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-O 121.24 0.543 . . . . 0.88 109.952 179.109 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 52.2 t30 54.56 41.24 32.07 Favored 'General case' 0 N--CA 1.456 -0.156 0 CA-C-N 114.705 -1.134 . . . . 2.35 110.556 -176.191 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 558' ' ' GLN . . . . . 0.602 ' OE1' ' HA ' ' A' ' 525' ' ' CYS . 13.7 mm100 -147.09 164.88 31.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.753 -0.658 . . . . 2.07 109.782 -175.383 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -132.87 149.88 52.21 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.811 0.339 . . . . 0.27 111.78 -178.475 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 560' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 -124.42 128.69 49.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.775 -0.648 . . . . 0.33 109.289 176.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 561' ' ' LEU . . . . . 0.55 ' HB3' ' HE1' ' A' ' 563' ' ' MET . 15.2 tp -131.75 131.46 43.0 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 110.19 -0.3 . . . . 0.22 110.19 -173.376 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 562' ' ' GLU . . . . . 0.516 ' O ' ' HA ' ' A' ' 547' ' ' VAL . 33.3 tt0 -100.78 138.89 37.24 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-O 120.99 0.424 . . . . 1.85 111.095 -178.792 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 563' ' ' MET . . . . . 0.634 ' HE2' ' SD ' ' A' ' 572' ' ' MET . 0.9 OUTLIER -112.43 139.91 47.61 Favored 'General case' 0 N--CA 1.444 -0.741 0 CA-C-N 115.722 -0.672 . . . . 0.96 110.368 177.469 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -60.82 -19.15 59.19 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.129 -0.941 . . . . 0.36 111.244 -178.137 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 29.4 m-85 -133.79 137.19 44.99 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 115.363 -0.835 . . . . 1.27 109.048 -178.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 566' ' ' THR . . . . . 0.522 ' O ' ' HG3' ' A' ' 570' ' ' GLN . 8.9 t -65.65 -34.43 78.21 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.357 -0.608 . . . . 0.52 109.357 176.322 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 567' ' ' GLU . . . . . 0.544 ' CD ' ' H ' ' A' ' 567' ' ' GLU . 1.2 mp0 -62.05 -39.23 91.68 Favored 'General case' 0 CA--C 1.515 -0.382 0 CA-C-N 115.964 -0.562 . . . . 1.91 110.482 174.723 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 568' ' ' ALA . . . . . 0.569 ' HB1' ' CA ' ' A' ' 545' ' ' GLY . . . -62.48 -43.76 98.03 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.474 -0.784 . . . . 0.28 110.772 179.407 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 569' ' ' ALA . . . . . 0.419 ' O ' ' HG2' ' A' ' 572' ' ' MET . . . -67.59 -45.94 74.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.017 -0.538 . . . . 0.19 111.235 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 570' ' ' GLN . . . . . 0.522 ' HG3' ' O ' ' A' ' 566' ' ' THR . 75.7 mt-30 -64.61 -45.18 88.03 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.198 -0.456 . . . . 1.21 110.713 -179.213 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -62.01 -41.46 98.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.906 -0.588 . . . . 0.31 111.592 -175.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 572' ' ' MET . . . . . 0.634 ' SD ' ' HE2' ' A' ' 563' ' ' MET . 15.9 ptp -69.11 -44.47 72.36 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.778 -0.369 . . . . 0.62 110.479 -178.377 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 573' ' ' VAL . . . . . 0.576 HG13 ' HA ' ' A' ' 591' ' ' ARG . 69.7 t -66.95 -37.83 80.17 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.531 0 CA-C-N 116.196 -0.456 . . . . 0.21 111.397 -175.345 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 574' ' ' GLN . . . . . 0.485 ' HA ' ' OE1' ' A' ' 574' ' ' GLN . 14.4 mm-40 -59.65 -36.57 76.68 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.975 -0.38 . . . . 1.9 109.975 177.145 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 575' ' ' TYR . . . . . 0.432 ' HD2' ' CD2' ' A' ' 576' ' ' TYR . 89.4 t80 -68.62 -49.65 57.56 Favored 'General case' 0 C--O 1.218 -0.565 0 CA-C-N 115.987 -0.551 . . . . 0.52 110.806 172.855 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 576' ' ' TYR . . . . . 0.479 ' CB ' ' HB ' ' A' ' 590' ' ' ILE . 23.5 m-85 -73.61 -16.74 61.23 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 112.935 0.717 . . . . 0.34 112.935 -172.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -78.39 -28.04 46.87 Favored 'General case' 0 C--N 1.317 -0.842 0 O-C-N 121.806 -0.559 . . . . 1.84 110.596 175.219 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -97.73 -39.12 9.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.018 0.437 . . . . 2.07 111.156 177.269 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 30.6 mtpp -130.29 80.63 70.22 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-N 115.927 -0.579 . . . . 2.07 109.635 176.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -69.32 159.86 52.1 Favored 'Trans proline' 0 CA--C 1.529 0.252 0 C-N-CA 123.65 2.9 . . . . 0.19 113.329 -172.635 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 581' ' ' ALA . . . . . 0.514 ' HB1' HD22 ' A' ' 540' ' ' LEU . . . -92.69 153.62 18.84 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.802 -0.636 . . . . 0.2 110.456 -175.242 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 582' ' ' ILE . . . . . 0.478 HG12 ' HG3' ' A' ' 587' ' ' LYS . 17.5 mt -117.32 133.08 65.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 112.691 0.626 . . . . 0.54 112.691 -167.213 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 583' ' ' ILE . . . . . 0.449 HG13 HD11 ' A' ' 540' ' ' LEU . 35.2 mt -128.41 128.7 68.54 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.115 0 CA-C-N 115.846 -0.616 . . . . 0.73 109.67 169.748 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 11.1 m120 59.77 33.72 21.8 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 122.766 0.427 . . . . 1.46 111.044 178.12 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 76.5 5.66 82.92 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.779 -0.724 . . . . 0.67 112.118 -179.494 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -105.79 127.83 53.34 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.778 0.323 . . . . 1.93 110.176 -178.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 587' ' ' LYS . . . . . 0.478 ' HG3' HG12 ' A' ' 582' ' ' ILE . 0.1 OUTLIER -84.2 111.09 19.05 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.978 0.418 . . . . 2.12 110.121 -177.821 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 588' ' ' LEU . . . . . 0.477 HD13 HD21 ' A' ' 527' ' ' LEU . 32.8 mt -81.83 134.1 35.39 Favored 'General case' 0 CA--C 1.508 -0.644 0 CA-C-N 115.845 -0.616 . . . . 0.28 110.294 -176.575 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 54.7 tp -84.7 107.36 16.85 Favored 'General case' 0 C--N 1.312 -1.036 0 N-CA-C 108.558 -0.905 . . . . 0.38 108.558 171.613 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 590' ' ' ILE . . . . . 0.479 ' HB ' ' CB ' ' A' ' 576' ' ' TYR . 59.7 mt -96.9 115.11 35.57 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 N-CA-C 108.15 -1.055 . . . . 0.17 108.15 177.609 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 591' ' ' ARG . . . . . 0.576 ' HA ' HG13 ' A' ' 573' ' ' VAL . 3.8 ptp180 -135.09 161.4 35.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.202 0.525 . . . . 3.0 112.021 -172.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 592' ' ' MET . . . . . 0.536 ' HG2' HG11 ' A' ' 573' ' ' VAL . 0.1 OUTLIER -66.47 133.79 51.13 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.417 -0.811 . . . . 0.33 109.916 179.035 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 32.7 t -83.78 132.29 34.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.817 0.341 . . . . 1.04 111.091 -177.044 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 11.1 t -98.96 -7.79 26.46 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.158 -0.473 . . . . 1.6 110.046 173.761 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 88.1 mtt180 -82.46 -39.25 22.81 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.208 -0.451 . . . . 2.94 110.438 -179.467 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -131.55 134.46 46.11 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.199 -0.455 . . . . 0.93 110.545 -179.525 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 5.3 tppp? -86.81 -36.77 18.34 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.741 -0.837 . . . . 3.4 108.741 171.397 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 598' ' ' GLU . . . . . 0.574 ' HB2' HE22 ' A' ' 514' ' ' GLN . 0.5 OUTLIER -140.17 153.41 46.62 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 114.809 -1.087 . . . . 2.02 109.261 178.543 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 599' ' ' LEU . . . . . 0.462 HD12 ' HB2' ' A' ' 562' ' ' GLU . 90.3 mt -92.53 105.7 17.82 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.547 0.689 . . . . 1.02 109.969 178.826 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -101.94 89.97 3.82 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 115.602 -0.727 . . . . 2.87 109.819 179.563 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 83.4 mt -71.96 68.35 0.67 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.422 -0.808 . . . . 1.47 110.06 176.65 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 602' ' ' LYS . . . . . 0.5 ' HD2' ' N ' ' A' ' 602' ' ' LYS . 3.5 mptp? 57.02 46.42 19.36 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-O 121.611 0.719 . . . . 5.4 109.729 -176.659 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -102.79 128.13 28.58 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-N 115.146 -0.933 . . . . 5.81 110.1 -175.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 604' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -75.76 52.77 3.44 Favored 'Trans proline' 0 C--O 1.236 0.381 0 C-N-CA 122.988 2.458 . . . . 6.24 112.639 -179.13 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 605' ' ' GLY . . . . . . . . . . . . . . . 136.0 -134.22 7.08 Favored Glycine 0 N--CA 1.444 -0.805 0 N-CA-C 111.269 -0.732 . . . . 6.9 111.269 -177.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 606' ' ' LYS . . . . . 0.428 ' HE2' ' HG3' ' A' ' 598' ' ' GLU . 16.5 mmtp -108.77 -79.51 0.58 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.907 0.384 . . . . 8.87 111.216 -179.366 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -91.93 61.25 4.04 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.206 -0.452 . . . . 9.21 110.468 -172.748 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 47.6 t 67.15 -85.66 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 CA-C-N 115.741 -0.663 . . . . 9.63 111.31 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -101.57 -32.8 10.19 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.834 0.349 . . . . 9.47 110.916 -177.744 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -93.97 137.95 32.62 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.176 -0.466 . . . . 9.11 110.831 -179.684 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 61.5 mt -105.77 92.5 2.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-O 121.231 0.539 . . . . 8.31 109.711 175.523 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 612' ' ' ILE . . . . . 0.501 HG23 ' HB ' ' A' ' 615' ' ' ILE . 85.6 mt -83.58 127.58 39.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.842 -0.617 . . . . 8.86 111.076 -177.438 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -132.14 -54.2 0.98 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.978 -0.555 . . . . 10.28 110.4 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -77.91 -41.39 36.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.071 -0.513 . . . . 10.41 110.614 -178.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 615' ' ' ILE . . . . . 0.501 ' HB ' HG23 ' A' ' 612' ' ' ILE . 50.1 mt -74.59 157.84 6.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.798 -0.637 . . . . 8.61 109.807 179.213 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 33.9 m170 -112.2 -154.38 0.54 Allowed 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.843 -0.428 . . . . 6.75 109.843 174.791 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 617' ' ' SER . . . . . 0.431 ' HB3' ' NH2' ' A' ' 515' ' ' ARG . 10.4 m -73.62 71.93 1.42 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.101 0.476 . . . . 6.99 110.9 -179.218 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 618' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -134.26 -58.44 0.84 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.004 -0.544 . . . . 9.26 110.701 -178.47 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 53.2 mtm180 -117.52 54.33 0.9 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.268 -0.424 . . . . 12.9 111.422 -179.188 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 620' ' ' GLU . . . . . 0.453 ' HA ' HD11 ' A' ' 612' ' ' ILE . 35.3 tt0 -79.75 93.87 5.65 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.053 0.454 . . . . 11.34 109.891 175.259 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 31.3 mtp180 . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.331 -0.842 . . . . 11.46 109.593 176.584 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.701 0 N-CA-C 112.25 -0.34 . . . . 6.72 112.25 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . -104.52 38.5 1.87 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.328 0.585 . . . . 5.43 110.273 178.625 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 2.0 mpt? -77.87 -21.56 51.15 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.742 -0.663 . . . . 6.23 111.086 -178.009 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 513' ' ' ALA . . . . . 0.526 ' HB2' ' ND2' ' A' ' 549' ' ' ASN . . . -127.69 -159.53 0.95 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.366 -0.379 . . . . 2.28 111.203 -178.283 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 514' ' ' GLN . . . . . 0.481 ' HA ' ' OE1' ' A' ' 514' ' ' GLN . 17.4 mm-40 70.97 91.65 0.09 Allowed 'General case' 0 CA--C 1.519 -0.248 0 CA-C-N 115.134 -0.939 . . . . 5.14 111.014 177.35 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 515' ' ' ARG . . . . . 0.438 ' HB2' ' O ' ' A' ' 564' ' ' ALA . 24.3 mmt180 -102.12 -46.24 4.91 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.281 -0.872 . . . . 6.6 109.633 177.717 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 44.2 mmtm -95.28 159.03 15.2 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.042 -0.725 . . . . 5.25 109.042 168.192 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -75.2 61.1 2.69 Favored Glycine 0 CA--C 1.517 0.196 0 C-N-CA 121.147 -0.549 . . . . 3.29 112.894 -177.057 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 518' ' ' ALA . . . . . . . . . . . . . . . -165.81 -76.89 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 110.102 -0.333 . . . . 2.38 110.102 179.708 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 74.43 140.8 0.65 Allowed Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.996 -0.621 . . . . 1.58 112.678 179.591 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 75.4 mtt180 -148.19 139.72 23.64 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.934 0.397 . . . . 2.39 110.263 177.162 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 521' ' ' VAL . . . . . 0.464 HG22 ' HG ' ' A' ' 599' ' ' LEU . 71.0 t -96.71 134.14 35.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 115.755 -0.657 . . . . 0.44 109.799 177.071 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 522' ' ' VAL . . . . . 0.412 HG21 ' HE3' ' A' ' 563' ' ' MET . 57.4 t -102.04 134.7 41.88 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.026 0 CA-C-N 115.933 -0.576 . . . . 0.25 109.716 177.049 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 10.7 t-160 -105.42 118.88 37.7 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.658 -0.497 . . . . 1.75 109.658 -176.109 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 524' ' ' ILE . . . . . . . . . . . . . 68.3 mt -102.62 127.72 56.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 115.864 -0.607 . . . . 0.28 109.792 -178.651 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 8.3 m -114.77 169.85 8.76 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.634 -0.712 . . . . 1.28 111.354 -171.499 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 66.84 33.37 6.09 Favored 'General case' 0 N--CA 1.464 0.249 0 O-C-N 123.878 0.737 . . . . 1.22 111.456 174.239 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 527' ' ' LEU . . . . . 0.47 HD21 HD13 ' A' ' 588' ' ' LEU . 79.9 mt -86.29 121.28 72.57 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 116.191 -0.458 . . . . 0.6 111.572 -176.608 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 528' ' ' PRO . . . . . 0.457 ' HD2' ' SG ' ' A' ' 532' ' ' CYS . 37.3 Cg_endo -69.27 132.1 23.37 Favored 'Trans proline' 0 C--O 1.237 0.464 0 C-N-CA 122.601 2.201 . . . . 0.62 111.877 174.43 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -67.49 125.59 26.64 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.097 -0.501 . . . . 2.98 111.5 -178.007 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 80.59 -17.77 10.08 Favored Glycine 0 N--CA 1.451 -0.308 0 CA-C-N 115.997 -0.547 . . . . 0.94 113.482 175.496 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 531' ' ' SER . . . . . 0.406 ' HB2' ' HG2' ' A' ' 528' ' ' PRO . 11.4 m -84.86 -36.84 21.3 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 117.091 0.446 . . . . 1.17 110.67 -177.587 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 532' ' ' CYS . . . . . 0.457 ' SG ' ' HD2' ' A' ' 528' ' ' PRO . 76.2 m -87.11 139.18 30.83 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.41 -0.359 . . . . 0.77 110.147 176.04 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 65.1 p -106.0 166.86 10.19 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.806 -0.442 . . . . 0.54 109.806 175.705 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 534' ' ' GLU . . . . . 0.516 ' HG2' ' CD1' ' A' ' 552' ' ' LEU . 42.9 mt-10 -54.81 -45.45 74.38 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.411 0.624 . . . . 1.32 109.954 179.551 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 13.8 t30 -59.61 -38.46 81.34 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 114.791 -1.095 . . . . 1.95 111.712 -177.508 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 536' ' ' ASP . . . . . 0.535 ' O ' ' HG ' ' A' ' 540' ' ' LEU . 56.4 m-20 -64.39 -48.6 74.81 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 120.982 0.42 . . . . 0.52 110.723 -179.356 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 59.2 t -63.53 -44.02 98.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.414 -0.812 . . . . 0.25 110.9 -174.321 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 87.7 mt -65.28 -45.83 92.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.793 -0.64 . . . . 0.24 110.97 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 539' ' ' ASN . . . . . 0.689 ' O ' ' HD3' ' A' ' 543' ' ' PRO . 89.5 m-20 -66.22 -27.67 68.15 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.978 -0.556 . . . . 1.07 112.201 -175.487 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 540' ' ' LEU . . . . . 0.535 ' HG ' ' O ' ' A' ' 536' ' ' ASP . 29.6 mt -65.21 -36.26 83.61 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.341 0.497 . . . . 0.36 112.341 -179.291 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -79.56 -32.42 37.79 Favored Glycine 0 CA--C 1.516 0.128 0 C-N-CA 120.273 -0.965 . . . . 0.22 112.261 -179.314 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 542' ' ' LEU . . . . . 0.427 HD12 ' HA ' ' A' ' 539' ' ' ASN . 75.5 mt -52.81 -37.99 53.58 Favored Pre-proline 0 CA--C 1.554 1.097 0 N-CA-C 115.704 1.742 . . . . 0.25 115.704 -175.742 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 543' ' ' PRO . . . . . 0.689 ' HD3' ' O ' ' A' ' 539' ' ' ASN . 71.3 Cg_exo -50.66 -33.51 39.98 Favored 'Trans proline' 0 C--N 1.354 0.862 0 C-N-CA 121.592 1.528 . . . . 0.19 115.351 -175.564 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 544' ' ' PHE . . . . . 0.575 ' HB2' ' CB ' ' A' ' 572' ' ' MET . 82.5 m-85 -111.56 -19.97 12.34 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 113.055 0.761 . . . . 0.35 113.055 176.679 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 545' ' ' GLY . . . . . 0.623 ' CA ' ' HB1' ' A' ' 568' ' ' ALA . . . -135.31 -161.77 9.46 Favored Glycine 0 C--O 1.223 -0.542 0 C-N-CA 120.421 -0.895 . . . . 1.14 114.005 179.785 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 546' ' ' LYS . . . . . 0.572 ' O ' ' HA ' ' A' ' 563' ' ' MET . 16.7 tppt? -132.55 135.54 46.01 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 122.474 -0.427 . . . . 1.56 110.967 -178.669 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 547' ' ' VAL . . . . . 0.578 ' HA ' ' O ' ' A' ' 562' ' ' GLU . 95.2 t -100.14 133.63 42.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.907 -0.588 . . . . 0.25 110.923 -178.655 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 72.5 p -108.28 -32.3 7.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.104 0.478 . . . . 0.37 110.784 176.178 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 549' ' ' ASN . . . . . 0.526 ' ND2' ' HB2' ' A' ' 513' ' ' ALA . 33.1 m-80 -149.06 166.62 28.19 Favored 'General case' 0 CA--C 1.515 -0.372 0 CA-C-N 115.702 -0.681 . . . . 1.43 109.525 -174.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 37.9 p90 -155.44 149.14 25.27 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.856 0.36 . . . . 0.47 110.472 175.587 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 551' ' ' ILE . . . . . 0.523 HD12 HD22 ' A' ' 599' ' ' LEU . 24.2 mt -131.28 123.78 53.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 108.955 -0.757 . . . . 0.37 108.955 175.677 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 552' ' ' LEU . . . . . 0.516 ' CD1' ' HG2' ' A' ' 534' ' ' GLU . 85.1 mt -111.35 114.1 27.02 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.143 -0.48 . . . . 0.45 111.734 -172.51 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 25.4 mmt -108.08 86.13 2.24 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.874 -0.787 . . . . 1.18 108.874 172.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.94 -34.97 77.61 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.132 -0.485 . . . . 1.45 110.675 -174.71 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 62.6 p -64.79 -28.1 69.34 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.936 -0.575 . . . . 1.11 112.049 -177.235 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 556' ' ' THR . . . . . 0.478 ' O ' ' HG2' ' A' ' 558' ' ' GLN . 75.6 p -98.84 4.13 47.49 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.06 0.457 . . . . 0.88 110.525 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 14.5 m120 56.91 40.44 28.85 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.092 -0.958 . . . . 2.35 110.885 -179.593 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 558' ' ' GLN . . . . . 0.478 ' HG2' ' O ' ' A' ' 556' ' ' THR . 15.0 mm100 -143.48 148.77 36.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 2.07 110.466 -175.871 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -133.99 152.67 51.94 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.904 0.383 . . . . 0.27 111.066 178.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 560' ' ' PHE . . . . . . . . . . . . . 55.6 m-85 -119.12 126.34 51.39 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.86 -0.793 . . . . 0.33 108.86 177.05 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 561' ' ' LEU . . . . . 0.406 HD12 ' HA ' ' A' ' 561' ' ' LEU . 14.7 tp -121.79 129.06 52.38 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 109.761 -0.459 . . . . 0.22 109.761 -176.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 562' ' ' GLU . . . . . 0.578 ' O ' ' HA ' ' A' ' 547' ' ' VAL . 10.0 tp10 -99.64 138.51 36.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.498 -0.319 . . . . 1.85 111.044 -173.03 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 563' ' ' MET . . . . . 0.572 ' HA ' ' O ' ' A' ' 546' ' ' LYS . 21.2 mmt -116.06 135.19 54.18 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.656 0.741 . . . . 0.96 111.688 -172.665 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 564' ' ' ALA . . . . . 0.438 ' O ' ' HB2' ' A' ' 515' ' ' ARG . . . -65.95 -33.8 76.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 114.826 -1.079 . . . . 0.36 111.245 -178.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 565' ' ' TYR . . . . . 0.446 ' HB2' ' CB ' ' A' ' 568' ' ' ALA . 17.5 m-85 -124.4 134.67 53.04 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.721 -0.844 . . . . 1.27 108.721 -175.3 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 9.7 t -68.07 -35.4 78.14 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.346 -0.388 . . . . 0.52 110.808 -177.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -67.13 -35.48 79.83 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-O 121.022 0.439 . . . . 1.91 110.56 175.113 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 568' ' ' ALA . . . . . 0.623 ' HB1' ' CA ' ' A' ' 545' ' ' GLY . . . -62.61 -43.96 97.51 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.646 -0.707 . . . . 0.28 110.504 178.112 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -63.47 -45.73 89.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.708 -0.678 . . . . 0.19 111.195 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 570' ' ' GLN . . . . . 0.596 ' O ' ' HG2' ' A' ' 574' ' ' GLN . 45.9 mt-30 -67.57 -46.21 73.33 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.943 -0.571 . . . . 1.21 111.379 -178.846 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -61.89 -42.13 98.7 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.201 -0.454 . . . . 0.31 111.535 -175.325 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 572' ' ' MET . . . . . 0.575 ' CB ' ' HB2' ' A' ' 544' ' ' PHE . 17.2 ptp -66.29 -44.97 82.03 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.036 0.446 . . . . 0.62 110.222 -179.342 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 573' ' ' VAL . . . . . 0.803 HG13 ' HA ' ' A' ' 591' ' ' ARG . 57.7 t -67.29 -36.86 77.86 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.691 0 CA-C-N 115.711 -0.677 . . . . 0.21 111.958 -175.412 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 574' ' ' GLN . . . . . 0.596 ' HG2' ' O ' ' A' ' 570' ' ' GLN . 29.4 mm-40 -59.05 -37.35 76.8 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.538 -0.541 . . . . 1.9 109.538 178.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 89.1 t80 -69.14 -49.68 54.73 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-N 115.769 -0.65 . . . . 0.52 111.149 172.248 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 576' ' ' TYR . . . . . 0.471 ' CB ' ' HB ' ' A' ' 590' ' ' ILE . 22.9 m-85 -72.24 -23.08 61.17 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 113.502 0.927 . . . . 0.34 113.502 -171.375 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -70.04 -30.9 68.29 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 120.132 -0.627 . . . . 1.84 110.562 175.672 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 50.9 mm-40 -97.52 -38.96 9.37 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.14 0.495 . . . . 2.07 111.312 179.536 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -126.32 81.94 66.62 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 115.741 -0.663 . . . . 2.07 109.958 175.575 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_exo -72.32 159.92 48.28 Favored 'Trans proline' 0 C--O 1.234 0.293 0 C-N-CA 123.522 2.815 . . . . 0.19 112.429 -176.472 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -93.23 144.67 25.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.28 -0.418 . . . . 0.2 110.752 -174.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 65.8 mt -108.89 131.31 59.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 116.333 -0.394 . . . . 0.54 111.794 -173.384 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 583' ' ' ILE . . . . . 0.494 HD12 HD11 ' A' ' 588' ' ' LEU . 37.9 mt -122.51 116.66 49.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.124 -0.489 . . . . 0.73 110.499 172.269 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 55.33 43.99 28.07 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.848 -0.614 . . . . 1.46 111.724 175.214 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 86.1 -4.54 85.85 Favored Glycine 0 N--CA 1.45 -0.376 0 CA-C-N 115.917 -0.583 . . . . 0.67 113.47 176.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -102.68 126.26 49.71 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 117.147 0.473 . . . . 1.93 110.256 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -84.69 107.37 16.85 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.52 -0.548 . . . . 2.12 109.52 178.091 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 588' ' ' LEU . . . . . 0.494 HD11 HD12 ' A' ' 583' ' ' ILE . 39.9 mt -84.8 124.36 31.48 Favored 'General case' 0 CA--C 1.506 -0.74 0 CA-C-N 116.467 -0.333 . . . . 0.28 110.38 -178.12 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 33.1 tp -83.28 108.56 16.58 Favored 'General case' 0 C--N 1.313 -0.998 0 N-CA-C 108.584 -0.895 . . . . 0.38 108.584 173.269 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 590' ' ' ILE . . . . . 0.471 ' HB ' ' CB ' ' A' ' 576' ' ' TYR . 41.7 mt -96.48 115.47 35.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 108.273 -1.01 . . . . 0.17 108.273 177.655 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 591' ' ' ARG . . . . . 0.803 ' HA ' HG13 ' A' ' 573' ' ' VAL . 33.3 ptt180 -145.34 164.76 30.48 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 113.285 0.846 . . . . 3.0 113.285 -174.357 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 592' ' ' MET . . . . . 0.664 ' HG2' HG11 ' A' ' 573' ' ' VAL . 0.6 OUTLIER -68.19 129.35 39.67 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.009 -0.996 . . . . 0.33 111.303 -175.301 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 33.0 t -86.92 129.7 34.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.006 0.432 . . . . 1.04 110.539 176.25 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 8.1 m -98.52 -6.86 29.38 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.696 0.76 . . . . 1.6 109.769 175.364 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 79.4 mtp180 -88.28 -41.33 12.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.641 -0.709 . . . . 2.94 111.118 -177.599 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -106.69 134.06 50.41 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.844 0.354 . . . . 0.93 110.587 -179.508 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -90.97 -41.83 10.9 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.812 -0.631 . . . . 3.4 110.373 176.728 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 598' ' ' GLU . . . . . 0.476 ' HA ' ' OE2' ' A' ' 562' ' ' GLU . 11.1 pt-20 -154.05 146.55 24.05 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.476 -0.784 . . . . 2.02 109.843 -178.575 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 599' ' ' LEU . . . . . 0.523 HD22 HD12 ' A' ' 551' ' ' ILE . 76.1 mt -92.44 111.72 23.41 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.238 0.542 . . . . 1.02 111.462 179.686 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -105.36 100.89 10.46 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.5 -0.773 . . . . 2.87 109.321 174.712 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 64.5 mt -62.15 143.79 56.26 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.43 -0.805 . . . . 1.47 111.986 -173.762 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 5.7 tmmm? -73.34 -30.28 63.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 114.856 -1.066 . . . . 5.4 110.275 178.45 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -82.79 127.81 68.49 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-N 115.901 -0.591 . . . . 5.81 110.48 -178.319 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 604' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -60.07 135.51 63.07 Favored 'Trans proline' 0 C--O 1.235 0.347 0 C-N-CA 122.924 2.416 . . . . 6.24 112.61 -177.447 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 605' ' ' GLY . . . . . 0.423 ' O ' ' HB2' ' A' ' 606' ' ' LYS . . . 169.74 -175.05 44.0 Favored Glycine 0 N--CA 1.442 -0.963 0 CA-C-N 115.668 -0.696 . . . . 6.9 111.608 -179.445 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 606' ' ' LYS . . . . . 0.423 ' HB2' ' O ' ' A' ' 605' ' ' GLY . 16.5 mmtp 70.09 123.16 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 121.458 0.647 . . . . 8.87 111.953 -179.483 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 607' ' ' ASN . . . . . 0.463 ' O ' HG12 ' A' ' 611' ' ' ILE . 4.6 t30 -64.7 111.88 2.96 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.334 -0.848 . . . . 9.21 110.443 177.178 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 58.7 t -96.29 -32.25 4.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.994 0.426 . . . . 9.63 110.725 179.709 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -71.28 97.95 1.66 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 9.47 110.3 178.643 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . 58.58 85.07 0.1 Allowed 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.568 -0.742 . . . . 9.11 110.242 -174.701 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 611' ' ' ILE . . . . . 0.463 HG12 ' O ' ' A' ' 607' ' ' ASN . 64.3 mt -72.57 83.08 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 CA-C-N 114.988 -1.005 . . . . 8.31 111.115 -174.541 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 612' ' ' ILE . . . . . . . . . . . . . 43.1 mt -89.46 64.33 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 121.821 0.819 . . . . 8.86 108.82 173.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -122.6 148.31 45.39 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.207 -0.906 . . . . 10.28 109.864 -178.035 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 614' ' ' ASP . . . . . 0.505 ' O ' ' HB ' ' A' ' 615' ' ' ILE . 21.0 t70 73.97 -35.87 0.32 Allowed 'General case' 0 N--CA 1.468 0.462 0 O-C-N 124.043 0.84 . . . . 10.41 111.944 176.43 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 615' ' ' ILE . . . . . 0.505 ' HB ' ' O ' ' A' ' 614' ' ' ASP . 1.8 mp 77.32 -19.7 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 C-N-CA 123.043 0.537 . . . . 8.61 111.385 175.59 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 616' ' ' HIS . . . . . 0.466 ' HB2' ' OD2' ' A' ' 614' ' ' ASP . 27.7 m170 -99.15 5.01 47.02 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.685 -0.857 . . . . 6.75 108.685 174.804 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 32.4 t -103.27 -68.84 0.82 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.026 -0.988 . . . . 6.99 109.492 176.189 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 618' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -135.25 147.91 49.41 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.372 -0.831 . . . . 9.26 109.441 178.74 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -127.94 60.46 1.45 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.306 -0.407 . . . . 12.9 110.532 -175.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 620' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 72.39 146.19 0.08 Allowed 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 115.334 -0.848 . . . . 11.34 111.354 178.392 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 15.1 ptm180 . . . . . 0 C--O 1.247 0.946 0 CA-C-O 118.351 -0.833 . . . . 11.46 109.935 176.814 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.533 0 N-CA-C 111.657 -0.577 . . . . 6.72 111.657 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . -159.22 78.34 0.74 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.889 0.376 . . . . 5.43 110.906 -178.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 65.6 mtt -82.29 60.62 5.1 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.493 0.663 . . . . 6.23 109.684 176.15 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 513' ' ' ALA . . . . . 0.479 ' HB3' HD21 ' A' ' 549' ' ' ASN . . . -84.93 152.76 23.29 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.333 -0.849 . . . . 2.28 111.77 -175.037 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 514' ' ' GLN . . . . . . . . . . . . . 24.8 mm-40 -93.34 1.25 57.02 Favored 'General case' 0 CA--C 1.505 -0.754 0 CA-C-N 115.176 -0.92 . . . . 5.14 109.0 173.301 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 515' ' ' ARG . . . . . 0.449 ' HG2' ' HB2' ' A' ' 598' ' ' GLU . 0.3 OUTLIER 63.97 -87.26 0.02 OUTLIER 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 114.34 -1.3 . . . . 6.6 109.506 -178.934 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 516' ' ' LYS . . . . . 0.714 ' HD2' ' H ' ' A' ' 520' ' ' ARG . 0.3 OUTLIER -133.41 -20.11 2.11 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.057 0.456 . . . . 5.25 110.324 174.933 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 517' ' ' GLY . . . . . 0.527 ' CA ' ' HA ' ' A' ' 617' ' ' SER . . . 83.13 -13.71 43.21 Favored Glycine 0 N--CA 1.446 -0.688 0 N-CA-C 111.026 -0.83 . . . . 3.29 111.026 -171.094 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 518' ' ' ALA . . . . . . . . . . . . . . . -113.83 -77.95 0.58 Allowed 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 114.282 -0.959 . . . . 2.38 110.105 178.199 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 133.63 88.18 0.33 Allowed Glycine 0 N--CA 1.445 -0.754 0 C-N-CA 120.028 -1.082 . . . . 1.58 114.372 173.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 520' ' ' ARG . . . . . 0.714 ' H ' ' HD2' ' A' ' 516' ' ' LYS . 11.9 mtp180 -142.86 139.29 30.8 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 109.431 -0.581 . . . . 2.39 109.431 168.574 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 58.7 t -121.8 139.71 48.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 C-N-CA 122.66 0.384 . . . . 0.44 111.007 178.261 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 522' ' ' VAL . . . . . 0.51 HG22 ' HE3' ' A' ' 592' ' ' MET . 40.3 t -100.45 134.31 40.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 N-CA-C 109.889 -0.412 . . . . 0.25 109.889 178.144 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 523' ' ' HIS . . . . . 0.426 ' HB3' ' OG ' ' A' ' 593' ' ' SER . 14.4 p-80 -115.05 140.16 49.28 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.183 0.516 . . . . 1.75 110.116 177.283 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 524' ' ' ILE . . . . . 0.671 HD12 HG13 ' A' ' 537' ' ' VAL . 67.1 mt -106.12 128.89 60.14 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.054 0 CA-C-N 115.595 -0.73 . . . . 0.28 110.099 179.248 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 525' ' ' CYS . . . . . 0.435 ' O ' ' HB2' ' A' ' 526' ' ' ASN . 12.6 p -124.29 174.98 7.36 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.825 -0.625 . . . . 1.28 110.144 -177.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 526' ' ' ASN . . . . . 0.435 ' HB2' ' O ' ' A' ' 525' ' ' CYS . 4.7 m-20 69.33 26.19 5.38 Favored 'General case' 0 N--CA 1.469 0.506 0 O-C-N 123.699 0.624 . . . . 1.22 109.896 -175.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 527' ' ' LEU . . . . . 0.479 ' HB3' ' SG ' ' A' ' 532' ' ' CYS . 82.4 mt -79.14 130.31 69.86 Favored Pre-proline 0 C--N 1.324 -0.541 0 CA-C-N 115.319 -0.855 . . . . 0.6 110.788 -177.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 528' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -68.15 133.13 27.84 Favored 'Trans proline' 0 C--O 1.235 0.359 0 C-N-CA 122.391 2.06 . . . . 0.62 111.385 174.237 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -66.84 124.38 22.79 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.279 -0.419 . . . . 2.98 111.116 -175.225 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 80.56 -18.05 9.48 Favored Glycine 0 N--CA 1.452 -0.289 0 CA-C-N 116.091 -0.504 . . . . 0.94 113.514 175.106 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 14.6 m -88.2 -15.68 35.33 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.032 0.444 . . . . 1.17 111.142 -177.033 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 532' ' ' CYS . . . . . 0.479 ' SG ' ' HB3' ' A' ' 527' ' ' LEU . 56.8 m -85.21 135.34 33.99 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.278 -0.419 . . . . 0.77 110.732 -179.635 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 30.0 p -108.32 169.56 8.56 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.591 -0.522 . . . . 0.54 109.591 177.623 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 534' ' ' GLU . . . . . 0.4 ' HA ' HD11 ' A' ' 552' ' ' LEU . 14.5 mt-10 -63.11 -46.89 85.19 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.35 0.595 . . . . 1.32 109.684 175.075 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -66.36 -44.2 83.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 114.984 -1.007 . . . . 1.95 111.852 -171.13 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 536' ' ' ASP . . . . . 0.552 ' O ' ' HG ' ' A' ' 540' ' ' LEU . 16.5 m-20 -63.95 -45.39 89.37 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 120.724 0.297 . . . . 0.52 111.357 -176.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 537' ' ' VAL . . . . . 0.671 HG13 HD12 ' A' ' 524' ' ' ILE . 98.0 t -61.96 -42.68 95.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.007 -0.542 . . . . 0.25 110.359 -177.864 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 538' ' ' ILE . . . . . 0.401 ' O ' ' HG ' ' A' ' 542' ' ' LEU . 82.9 mt -67.17 -42.31 87.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.494 . . . . 0.24 110.765 177.272 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 539' ' ' ASN . . . . . 0.497 ' HA ' HD12 ' A' ' 542' ' ' LEU . 81.2 m-20 -61.47 -30.06 70.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.992 -0.549 . . . . 1.07 112.233 -177.26 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 540' ' ' LEU . . . . . 0.552 ' HG ' ' O ' ' A' ' 536' ' ' ASP . 46.1 mt -69.36 -37.05 77.43 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.068 0.395 . . . . 0.36 112.068 -176.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -75.47 -36.71 43.22 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.258 -0.972 . . . . 0.22 112.233 -178.224 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 542' ' ' LEU . . . . . 0.546 ' HA ' ' O ' ' A' ' 545' ' ' GLY . 91.3 mt -48.4 -46.76 69.18 Favored Pre-proline 0 CA--C 1.542 0.67 0 N-CA-C 114.522 1.305 . . . . 0.25 114.522 -172.563 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 543' ' ' PRO . . . . . 0.462 ' HD3' ' O ' ' A' ' 539' ' ' ASN . 41.6 Cg_exo -46.7 -34.01 14.69 Favored 'Trans proline' 0 C--N 1.358 1.071 0 C-N-CA 122.484 2.122 . . . . 0.19 115.833 -173.459 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 544' ' ' PHE . . . . . 0.538 ' HB2' ' CB ' ' A' ' 572' ' ' MET . 79.3 m-85 -111.55 -19.1 12.65 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.041 -0.663 . . . . 0.35 112.687 176.552 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 545' ' ' GLY . . . . . 0.546 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . -149.76 132.86 4.17 Favored Glycine 0 CA--C 1.522 0.505 0 C-N-CA 120.911 -0.662 . . . . 1.14 113.088 177.538 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 546' ' ' LYS . . . . . 0.517 ' O ' ' HA ' ' A' ' 563' ' ' MET . 23.7 tptm -71.04 144.23 50.47 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.677 0.275 . . . . 1.56 111.103 178.574 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 547' ' ' VAL . . . . . 0.536 ' HA ' ' O ' ' A' ' 562' ' ' GLU . 92.8 t -95.0 127.94 46.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.821 -0.627 . . . . 0.25 111.377 178.631 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 28.9 p -94.54 -39.58 10.31 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.387 -0.37 . . . . 0.37 111.782 176.049 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 549' ' ' ASN . . . . . 0.479 HD21 ' HB3' ' A' ' 513' ' ' ALA . 55.5 m-80 -149.56 165.69 31.46 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.75 -0.833 . . . . 1.43 108.75 -179.797 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 550' ' ' TYR . . . . . 0.517 ' O ' HD21 ' A' ' 601' ' ' LEU . 12.2 p90 -148.78 149.79 31.97 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 120.626 -0.429 . . . . 0.47 110.588 -179.643 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 29.0 mt -131.29 121.26 48.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 N-CA-C 108.975 -0.75 . . . . 0.37 108.975 173.618 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 552' ' ' LEU . . . . . 0.4 HD11 ' HA ' ' A' ' 534' ' ' GLU . 50.1 mt -112.43 115.12 28.18 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 115.533 -0.758 . . . . 0.45 111.111 -177.698 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 62.4 mtt -107.48 83.69 1.85 Allowed 'General case' 0 N--CA 1.445 -0.684 0 N-CA-C 108.628 -0.879 . . . . 1.18 108.628 173.212 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -69.75 -29.46 66.83 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.046 -0.979 . . . . 1.45 110.464 -176.227 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 62.5 p -66.34 -22.94 66.28 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.58 -0.736 . . . . 1.11 111.613 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 68.9 p -105.28 3.82 30.37 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-O 121.282 0.563 . . . . 0.88 110.167 177.291 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 64.9 t30 56.39 41.55 28.8 Favored 'General case' 0 CA--C 1.521 -0.153 0 CA-C-N 114.674 -1.148 . . . . 2.35 110.893 -178.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -137.86 149.38 46.24 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.047 -0.524 . . . . 2.07 109.869 -177.438 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -130.2 142.92 50.53 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.38 -0.373 . . . . 0.27 111.259 -176.398 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 560' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -126.59 126.13 43.11 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.761 -0.654 . . . . 0.33 109.412 177.539 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 15.4 tp -126.54 129.09 47.93 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 116.011 -0.54 . . . . 0.22 110.082 -174.227 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 562' ' ' GLU . . . . . 0.536 ' O ' ' HA ' ' A' ' 547' ' ' VAL . 37.5 tt0 -103.15 137.92 40.66 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.342 -0.39 . . . . 1.85 111.302 -176.082 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 563' ' ' MET . . . . . 0.517 ' HA ' ' O ' ' A' ' 546' ' ' LYS . 13.3 mmt -107.8 159.55 16.42 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.838 -0.619 . . . . 0.96 110.442 -177.106 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -75.72 -22.53 56.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.699 -0.682 . . . . 0.36 112.251 -175.592 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -137.65 150.65 47.54 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.872 0.368 . . . . 1.27 110.795 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 9.0 t -61.69 -38.06 86.43 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.77 -0.65 . . . . 0.52 110.313 176.736 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -67.23 -35.34 79.35 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 116.174 -0.466 . . . . 1.91 110.778 175.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 568' ' ' ALA . . . . . 0.48 ' HB1' ' CA ' ' A' ' 545' ' ' GLY . . . -62.48 -42.56 99.57 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.094 0.473 . . . . 0.28 110.311 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 569' ' ' ALA . . . . . 0.489 ' HB1' ' HE1' ' A' ' 592' ' ' MET . . . -68.44 -46.99 68.38 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.694 -0.685 . . . . 0.19 111.514 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 570' ' ' GLN . . . . . 0.458 ' O ' ' HG3' ' A' ' 574' ' ' GLN . 48.2 mt-30 -68.86 -46.14 69.23 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.29 -0.413 . . . . 1.21 111.923 -177.649 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -62.11 -38.01 87.29 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.675 0.274 . . . . 0.31 111.392 -175.425 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 572' ' ' MET . . . . . 0.538 ' CB ' ' HB2' ' A' ' 544' ' ' PHE . 14.0 ptp -69.11 -45.6 69.77 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 120.655 -0.418 . . . . 0.62 110.365 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 573' ' ' VAL . . . . . 0.564 HG11 ' HG2' ' A' ' 592' ' ' MET . 91.9 t -67.32 -36.88 77.89 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.566 0 CA-C-N 116.192 -0.458 . . . . 0.21 111.259 -176.358 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 574' ' ' GLN . . . . . 0.458 ' HG3' ' O ' ' A' ' 570' ' ' GLN . 52.0 mt-30 -58.96 -37.17 76.17 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.541 -0.54 . . . . 1.9 109.541 175.784 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 54.2 t80 -69.56 -49.66 52.13 Favored 'General case' 0 C--O 1.219 -0.534 0 CA-C-N 115.856 -0.611 . . . . 0.52 110.68 174.012 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 576' ' ' TYR . . . . . 0.436 ' CE1' ' HB2' ' A' ' 572' ' ' MET . 21.7 m-85 -74.84 -17.22 60.64 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.925 0.713 . . . . 0.34 112.925 -172.624 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -74.38 -30.69 62.07 Favored 'General case' 0 C--N 1.319 -0.722 0 O-C-N 122.091 -0.381 . . . . 1.84 110.557 174.122 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -97.54 -40.19 8.77 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.02 0.438 . . . . 2.07 110.97 178.212 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 49.9 mtpt -127.9 79.45 73.69 Favored Pre-proline 0 C--N 1.327 -0.4 0 CA-C-N 115.695 -0.684 . . . . 2.07 109.917 179.037 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_exo -71.67 160.41 48.23 Favored 'Trans proline' 0 C--O 1.235 0.373 0 C-N-CA 123.372 2.714 . . . . 0.19 112.803 -174.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -92.47 150.61 20.67 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.135 -0.484 . . . . 0.2 110.354 -175.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 582' ' ' ILE . . . . . 0.432 ' HA ' ' O ' ' A' ' 586' ' ' GLU . 65.3 mt -117.2 127.87 74.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 N-CA-C 112.112 0.412 . . . . 0.54 112.112 -171.196 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 583' ' ' ILE . . . . . 0.416 HD12 HD11 ' A' ' 588' ' ' LEU . 52.4 mt -122.18 120.6 61.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.001 -0.545 . . . . 0.73 110.447 172.854 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 59.27 40.38 21.43 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.862 -0.608 . . . . 1.46 111.307 177.327 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 80.43 0.92 88.03 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.982 -0.628 . . . . 0.67 112.818 178.702 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 586' ' ' GLU . . . . . 0.432 ' O ' ' HA ' ' A' ' 582' ' ' ILE . 17.1 mm-40 -101.14 126.37 47.84 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 110.183 -0.302 . . . . 1.93 110.183 -178.732 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 587' ' ' LYS . . . . . 0.416 ' HG2' HG12 ' A' ' 582' ' ' ILE . 36.3 mtmm -83.21 107.36 15.7 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.704 -0.48 . . . . 2.12 109.704 177.269 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 588' ' ' LEU . . . . . 0.52 HD12 ' CD1' ' A' ' 540' ' ' LEU . 32.3 mt -86.29 121.74 29.29 Favored 'General case' 0 CA--C 1.502 -0.869 0 CA-C-N 115.792 -0.64 . . . . 0.28 110.183 -177.631 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 589' ' ' LEU . . . . . 0.442 ' HG ' ' HG3' ' A' ' 591' ' ' ARG . 18.6 tp -83.61 109.0 17.07 Favored 'General case' 0 N--CA 1.434 -1.244 0 N-CA-C 108.415 -0.957 . . . . 0.38 108.415 175.248 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 590' ' ' ILE . . . . . 0.42 ' O ' HG13 ' A' ' 573' ' ' VAL . 49.5 mt -95.12 117.1 38.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 108.69 -0.856 . . . . 0.17 108.69 -179.397 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 591' ' ' ARG . . . . . 0.477 ' HA ' HG13 ' A' ' 573' ' ' VAL . 66.1 mtm180 -132.33 162.29 31.43 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 113.528 0.936 . . . . 3.0 113.528 -170.151 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 592' ' ' MET . . . . . 0.564 ' HG2' HG11 ' A' ' 573' ' ' VAL . 0.1 OUTLIER -76.15 129.61 37.03 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 114.783 -1.099 . . . . 0.33 110.792 -177.775 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 593' ' ' SER . . . . . 0.426 ' OG ' ' HB3' ' A' ' 523' ' ' HIS . 16.7 m -87.68 126.45 34.98 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.664 0.269 . . . . 1.04 110.777 175.83 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 14.8 t -98.3 -7.23 29.4 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.576 0.703 . . . . 1.6 109.561 176.475 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 60.8 mtp180 -91.63 -11.11 38.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.425 -0.807 . . . . 2.94 111.363 -179.124 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 58.1 m-85 -131.96 132.67 43.71 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.8 0.333 . . . . 0.93 110.697 -178.01 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -92.48 -41.5 10.25 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.569 0.699 . . . . 3.4 110.261 170.374 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 598' ' ' GLU . . . . . 0.449 ' HB2' ' HG2' ' A' ' 515' ' ' ARG . 15.7 pt-20 -156.21 149.62 24.62 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.931 -0.577 . . . . 2.02 110.757 -178.412 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 599' ' ' LEU . . . . . . . . . . . . . 94.5 mt -89.46 112.53 23.71 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.556 -0.747 . . . . 1.02 110.592 -177.147 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 -99.57 94.47 6.41 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.937 -0.574 . . . . 2.87 110.714 -178.148 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 601' ' ' LEU . . . . . 0.517 HD21 ' O ' ' A' ' 550' ' ' TYR . 93.1 mt -77.72 76.77 4.25 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.653 -0.703 . . . . 1.47 110.574 177.765 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 81.4 tttt 58.87 43.95 17.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.955 0.884 . . . . 5.4 108.969 -177.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -118.36 118.88 33.6 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-N 114.755 -1.111 . . . . 5.81 109.743 -177.053 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 604' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_endo -81.25 -0.55 10.59 Favored 'Trans proline' 0 C--O 1.234 0.298 0 C-N-CA 122.569 2.179 . . . . 6.24 112.202 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 605' ' ' GLY . . . . . . . . . . . . . . . 104.33 148.14 18.14 Favored Glycine 0 N--CA 1.445 -0.749 0 CA-C-N 115.671 -0.695 . . . . 6.9 111.644 -177.492 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? -83.51 81.78 8.58 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.331 -0.618 . . . . 8.87 109.331 179.453 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -112.3 -16.77 12.89 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.985 -0.552 . . . . 9.21 112.004 -170.29 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 99.4 t -64.92 -38.95 84.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 121.139 0.495 . . . . 9.63 110.562 -179.323 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -116.35 92.23 3.82 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.372 -0.603 . . . . 9.47 109.372 173.707 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -53.93 115.8 2.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.832 -0.622 . . . . 9.11 112.014 -174.508 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 4.1 mp -79.99 99.1 3.62 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.706 0 N-CA-C 108.944 -0.762 . . . . 8.31 108.944 175.694 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 612' ' ' ILE . . . . . . . . . . . . . 42.3 mt -84.7 62.04 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-O 121.714 0.769 . . . . 8.86 109.464 -177.726 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 613' ' ' GLN . . . . . 0.455 ' HA ' ' O ' ' A' ' 617' ' ' SER . 78.6 mt-30 52.52 38.07 24.65 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 114.645 -1.161 . . . . 10.28 111.617 -177.279 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -72.35 -61.93 1.62 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.715 -0.675 . . . . 10.41 110.435 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 615' ' ' ILE . . . . . 0.403 HD12 ' O ' ' A' ' 615' ' ' ILE . 1.2 pp -132.3 128.72 58.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.809 -0.632 . . . . 8.61 111.391 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 616' ' ' HIS . . . . . 0.456 ' C ' ' HA3' ' A' ' 517' ' ' GLY . 36.5 m80 70.09 -58.72 0.53 Allowed 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 123.705 0.802 . . . . 6.75 112.376 177.562 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 617' ' ' SER . . . . . 0.527 ' HA ' ' CA ' ' A' ' 517' ' ' GLY . 49.8 m -61.07 124.77 21.49 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.473 0.545 . . . . 6.99 112.473 -174.323 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 618' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -99.08 18.07 18.25 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.296 -0.866 . . . . 9.26 108.956 172.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 25.8 mmm180 -135.98 161.0 36.88 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.412 -1.267 . . . . 12.9 109.253 178.751 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 620' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -107.4 177.5 4.82 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.822 0.344 . . . . 11.34 110.335 179.603 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 13.3 mmm180 . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.362 -0.827 . . . . 11.46 109.209 173.575 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.722 0 N-CA-C 111.898 -0.481 . . . . 6.72 111.898 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . -87.3 -57.71 2.86 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.794 0.331 . . . . 5.43 111.449 -178.308 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 20.8 ptp -103.93 -166.04 1.21 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.425 -0.352 . . . . 6.23 110.755 -176.505 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . 69.14 -137.71 0.08 Allowed 'General case' 0 C--O 1.233 0.192 0 O-C-N 123.727 0.642 . . . . 2.28 111.366 -178.535 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 514' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -67.46 80.34 0.16 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.952 0.406 . . . . 5.14 111.985 -171.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 70.5 mtp180 -75.38 -54.25 7.37 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 108.596 -0.89 . . . . 6.6 108.596 175.065 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 516' ' ' LYS . . . . . 0.549 ' HG2' ' HB3' ' A' ' 616' ' ' HIS . 97.8 mttt -106.27 -25.32 12.01 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.994 -1.003 . . . . 5.25 110.145 173.372 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 517' ' ' GLY . . . . . 0.441 ' C ' ' H ' ' A' ' 519' ' ' GLY . . . 79.89 -8.77 48.75 Favored Glycine 0 N--CA 1.449 -0.49 0 N-CA-C 111.022 -0.831 . . . . 3.29 111.022 -175.492 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 518' ' ' ALA . . . . . 0.452 ' HA ' ' N ' ' A' ' 566' ' ' THR . . . 72.62 -27.38 0.18 Allowed 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 124.685 1.194 . . . . 2.38 112.123 179.745 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 519' ' ' GLY . . . . . 0.441 ' H ' ' C ' ' A' ' 517' ' ' GLY . . . 64.81 13.72 57.03 Favored Glycine 0 N--CA 1.442 -0.909 0 N-CA-C 110.95 -0.86 . . . . 1.58 110.95 -172.454 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 520' ' ' ARG . . . . . 0.44 HH11 ' HD3' ' A' ' 520' ' ' ARG . 52.3 mtt180 -147.57 142.54 26.96 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-O 121.061 0.458 . . . . 2.39 111.061 -173.609 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 60.7 t -118.75 138.47 49.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 115.35 -0.841 . . . . 0.44 109.927 175.824 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 522' ' ' VAL . . . . . . . . . . . . . 89.3 t -99.11 130.92 47.32 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.877 0 CA-C-O 121.227 0.537 . . . . 0.25 110.312 179.228 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -106.04 123.27 47.73 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.476 -0.783 . . . . 1.75 109.747 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 524' ' ' ILE . . . . . 0.536 HD12 HG13 ' A' ' 537' ' ' VAL . 77.5 mt -103.76 132.1 50.93 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.891 0 CA-C-N 115.426 -0.807 . . . . 0.28 109.325 179.695 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 525' ' ' CYS . . . . . 0.459 ' SG ' ' HB3' ' A' ' 589' ' ' LEU . 2.1 p -126.75 172.27 10.48 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.154 -0.476 . . . . 1.28 111.276 -174.352 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 68.59 25.96 6.48 Favored 'General case' 0 N--CA 1.468 0.436 0 O-C-N 124.116 0.885 . . . . 1.22 110.59 -176.622 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 527' ' ' LEU . . . . . 0.44 HD21 HD13 ' A' ' 588' ' ' LEU . 85.0 mt -81.6 121.99 80.23 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 115.863 -0.608 . . . . 0.6 110.56 -178.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 528' ' ' PRO . . . . . 0.446 ' HD2' ' SG ' ' A' ' 532' ' ' CYS . 32.2 Cg_endo -67.28 130.55 22.82 Favored 'Trans proline' 0 N--CA 1.46 -0.466 0 C-N-CA 121.706 1.604 . . . . 0.62 111.313 176.188 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -68.51 125.72 27.39 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.063 -0.517 . . . . 2.98 111.607 -176.514 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 85.29 -16.41 39.25 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 121.044 -0.598 . . . . 0.94 112.699 176.706 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 531' ' ' SER . . . . . 0.405 ' HB2' ' HG2' ' A' ' 528' ' ' PRO . 18.1 m -91.83 -25.86 18.79 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.965 0.412 . . . . 1.17 110.659 -179.408 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 532' ' ' CYS . . . . . 0.446 ' SG ' ' HD2' ' A' ' 528' ' ' PRO . 38.0 m -85.94 138.91 31.66 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.141 -0.481 . . . . 0.77 110.507 179.055 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 44.1 p -110.68 169.84 8.49 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.75 -0.463 . . . . 0.54 109.75 175.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 534' ' ' GLU . . . . . 0.4 ' HG2' ' CD1' ' A' ' 552' ' ' LEU . 31.8 mt-10 -61.33 -42.66 99.05 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.315 -0.624 . . . . 1.32 109.315 175.286 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -61.9 -43.88 97.93 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.162 -0.926 . . . . 1.95 111.747 -175.539 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 536' ' ' ASP . . . . . 0.611 ' O ' ' HG ' ' A' ' 540' ' ' LEU . 13.7 m-20 -64.05 -48.05 77.78 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.817 0.341 . . . . 0.52 111.071 -176.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 537' ' ' VAL . . . . . 0.536 HG13 HD12 ' A' ' 524' ' ' ILE . 96.1 t -63.7 -45.0 98.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.939 -0.573 . . . . 0.25 111.302 -175.684 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 538' ' ' ILE . . . . . 0.473 ' O ' ' HG ' ' A' ' 542' ' ' LEU . 90.4 mt -67.12 -45.78 85.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.394 -0.366 . . . . 0.24 111.014 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 539' ' ' ASN . . . . . 0.562 ' O ' ' HD3' ' A' ' 543' ' ' PRO . 23.7 m-80 -66.25 -26.65 67.46 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.394 0.516 . . . . 1.07 112.394 -178.042 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 540' ' ' LEU . . . . . 0.611 ' HG ' ' O ' ' A' ' 536' ' ' ASP . 35.2 mt -68.01 -35.2 77.9 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.75 -0.38 . . . . 0.36 111.665 177.159 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -79.02 -37.78 24.52 Favored Glycine 0 N--CA 1.453 -0.18 0 C-N-CA 120.394 -0.907 . . . . 0.22 112.329 -178.687 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 542' ' ' LEU . . . . . 0.577 ' HA ' ' O ' ' A' ' 545' ' ' GLY . 96.9 mt -47.78 -45.08 60.0 Favored Pre-proline 0 CA--C 1.545 0.78 0 N-CA-C 115.112 1.523 . . . . 0.25 115.112 -175.139 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 543' ' ' PRO . . . . . 0.562 ' HD3' ' O ' ' A' ' 539' ' ' ASN . 30.6 Cg_exo -47.01 -35.07 17.98 Favored 'Trans proline' 0 C--N 1.361 1.206 0 C-N-CA 122.656 2.237 . . . . 0.19 115.67 -172.747 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 544' ' ' PHE . . . . . 0.452 ' HB2' ' CB ' ' A' ' 572' ' ' MET . 88.8 m-85 -111.79 -18.03 12.82 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 119.927 -0.709 . . . . 0.35 112.684 177.211 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 545' ' ' GLY . . . . . 0.577 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . -150.05 138.09 6.55 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.692 -0.766 . . . . 1.14 112.955 178.555 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 58.4 tptt -76.01 138.51 40.95 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.88 0.371 . . . . 1.56 111.37 -179.029 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 547' ' ' VAL . . . . . 0.484 ' HA ' ' O ' ' A' ' 562' ' ' GLU . 95.6 t -93.54 136.53 24.99 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.572 0 CA-C-N 115.35 -0.841 . . . . 0.25 110.812 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 39.9 p -104.31 -40.13 6.22 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.257 0.551 . . . . 0.37 111.597 179.625 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 68.1 m-80 -149.08 166.72 27.89 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.515 -0.92 . . . . 1.43 108.515 -178.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 41.4 p90 -146.64 149.84 34.28 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.535 -0.466 . . . . 0.47 111.04 177.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 551' ' ' ILE . . . . . 0.419 HD12 HD22 ' A' ' 599' ' ' LEU . 24.8 mt -130.85 123.31 54.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 109.003 -0.74 . . . . 0.37 109.003 173.307 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 552' ' ' LEU . . . . . 0.4 ' CD1' ' HG2' ' A' ' 534' ' ' GLU . 70.8 mt -111.27 114.41 27.58 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 115.905 -0.588 . . . . 0.45 110.708 -176.178 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 60.0 mtt -107.46 85.13 2.07 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.402 -0.592 . . . . 1.18 109.402 176.108 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.15 -30.42 69.55 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.538 -0.542 . . . . 1.45 109.538 -179.468 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 64.5 p -66.45 -31.27 71.91 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.301 -0.863 . . . . 1.11 111.965 -178.188 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 76.7 p -105.04 10.79 33.92 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-O 121.197 0.522 . . . . 0.88 110.23 -178.197 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 4.9 t30 57.34 42.44 24.96 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 114.81 -1.087 . . . . 2.35 110.843 177.218 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -147.13 152.99 39.38 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.067 0.46 . . . . 2.07 111.188 -175.466 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -130.57 146.19 52.04 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.378 -0.374 . . . . 0.27 110.349 175.689 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 560' ' ' PHE . . . . . 0.451 ' HB3' HD21 ' A' ' 599' ' ' LEU . 71.7 m-85 -124.8 128.85 49.36 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.959 -0.564 . . . . 0.33 109.569 179.613 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 561' ' ' LEU . . . . . 0.555 ' HB3' ' HE1' ' A' ' 563' ' ' MET . 15.1 tp -124.49 137.01 54.46 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.199 -0.455 . . . . 0.22 110.2 -172.604 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 562' ' ' GLU . . . . . 0.585 ' HB2' HD12 ' A' ' 599' ' ' LEU . 28.3 tt0 -107.13 139.33 41.74 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 122.421 0.289 . . . . 1.85 110.434 -175.55 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 563' ' ' MET . . . . . 0.574 ' HE2' ' SD ' ' A' ' 572' ' ' MET . 0.6 OUTLIER -114.4 153.3 30.11 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.569 0.699 . . . . 0.96 111.917 -176.105 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -75.25 -29.95 60.35 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 115.186 -0.915 . . . . 0.36 111.776 -176.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -127.87 144.14 51.1 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.171 -0.677 . . . . 1.27 109.171 -177.745 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 566' ' ' THR . . . . . 0.452 ' N ' ' HA ' ' A' ' 518' ' ' ALA . 2.2 t -61.67 -35.98 79.55 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.105 -0.498 . . . . 0.52 110.921 -179.548 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -67.66 -32.96 74.01 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.718 -0.673 . . . . 1.91 110.841 176.017 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 568' ' ' ALA . . . . . 0.519 ' HB1' ' CA ' ' A' ' 545' ' ' GLY . . . -61.93 -44.54 96.57 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.15 -0.477 . . . . 0.28 110.389 -176.63 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -68.1 -46.31 71.29 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.904 -0.589 . . . . 0.19 111.277 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 570' ' ' GLN . . . . . 0.507 ' O ' ' HG2' ' A' ' 574' ' ' GLN . 46.0 mt-30 -68.76 -46.01 69.92 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.378 -0.374 . . . . 1.21 111.774 -177.207 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -63.8 -41.74 97.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.385 -0.37 . . . . 0.31 111.593 -175.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 572' ' ' MET . . . . . 0.574 ' SD ' ' HE2' ' A' ' 563' ' ' MET . 14.9 ptp -65.34 -44.6 87.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.027 0.441 . . . . 0.62 109.949 179.74 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 573' ' ' VAL . . . . . 0.595 HG13 ' HA ' ' A' ' 591' ' ' ARG . 51.6 t -67.04 -37.59 79.64 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.655 0 CA-C-N 115.787 -0.642 . . . . 0.21 111.617 -176.116 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 574' ' ' GLN . . . . . 0.507 ' HG2' ' O ' ' A' ' 570' ' ' GLN . 28.9 mm-40 -60.13 -36.98 78.68 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.574 -0.528 . . . . 1.9 109.574 176.519 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -68.57 -47.53 66.57 Favored 'General case' 0 C--O 1.218 -0.58 0 CA-C-N 115.715 -0.675 . . . . 0.52 110.693 174.161 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 576' ' ' TYR . . . . . 0.482 ' CB ' ' HB ' ' A' ' 590' ' ' ILE . 21.1 m-85 -76.75 -17.84 58.82 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 113.18 0.807 . . . . 0.34 113.18 -173.2 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 62.0 mt-30 -79.06 -26.89 43.04 Favored 'General case' 0 C--N 1.318 -0.804 0 C-N-CA 120.013 -0.675 . . . . 1.84 110.932 174.399 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -96.7 -38.59 9.86 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.172 0.51 . . . . 2.07 110.715 177.466 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -129.94 82.32 66.8 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-N 115.692 -0.685 . . . . 2.07 109.548 176.008 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 580' ' ' PRO . . . . . 0.457 ' HB3' ' O ' ' A' ' 588' ' ' LEU . 14.7 Cg_exo -71.65 159.19 51.69 Favored 'Trans proline' 0 CA--C 1.529 0.272 0 C-N-CA 123.429 2.753 . . . . 0.19 112.87 -174.432 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -93.42 153.08 18.7 Favored 'General case' 0 C--O 1.222 -0.345 0 CA-C-N 116.142 -0.481 . . . . 0.2 110.284 -176.788 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 582' ' ' ILE . . . . . 0.47 HG12 ' HG2' ' A' ' 587' ' ' LYS . 56.8 mt -114.45 127.42 71.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 112.411 0.523 . . . . 0.54 112.411 -170.545 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 583' ' ' ILE . . . . . 0.433 HD12 HD11 ' A' ' 588' ' ' LEU . 16.9 mt -122.5 123.41 68.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.867 -0.606 . . . . 0.73 110.459 171.671 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 21.2 m120 51.71 45.74 27.65 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 115.905 -0.589 . . . . 1.46 112.109 -178.703 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 78.01 8.31 87.39 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.981 -0.628 . . . . 0.67 113.683 173.249 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -116.39 133.41 56.05 Favored 'General case' 0 N--CA 1.433 -1.32 0 CA-C-N 117.305 0.552 . . . . 1.93 109.86 178.386 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 587' ' ' LYS . . . . . 0.47 ' HG2' HG12 ' A' ' 582' ' ' ILE . 52.2 mtmt -83.51 107.87 16.27 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.016 -0.538 . . . . 2.12 110.152 179.261 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 588' ' ' LEU . . . . . 0.457 ' O ' ' HB3' ' A' ' 580' ' ' PRO . 37.6 mt -77.63 128.73 34.58 Favored 'General case' 0 CA--C 1.505 -0.776 0 CA-C-N 115.764 -0.653 . . . . 0.28 110.403 -176.908 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 589' ' ' LEU . . . . . 0.459 ' HB3' ' SG ' ' A' ' 525' ' ' CYS . 53.4 tp -82.8 108.16 15.94 Favored 'General case' 0 C--N 1.309 -1.164 0 N-CA-C 108.01 -1.107 . . . . 0.38 108.01 171.326 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 590' ' ' ILE . . . . . 0.482 ' HB ' ' CB ' ' A' ' 576' ' ' TYR . 59.4 mt -96.7 114.71 34.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 N-CA-C 107.412 -1.329 . . . . 0.17 107.412 177.631 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 591' ' ' ARG . . . . . 0.595 ' HA ' HG13 ' A' ' 573' ' ' VAL . 12.7 ptt180 -142.06 165.05 28.5 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.367 0.506 . . . . 3.0 112.367 -169.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 592' ' ' MET . . . . . 0.503 ' HG2' HG11 ' A' ' 573' ' ' VAL . 0.3 OUTLIER -72.2 128.33 35.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.532 -0.758 . . . . 0.33 110.506 -175.421 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 45.7 t -87.52 133.91 33.7 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.686 0.279 . . . . 1.04 110.513 178.645 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 2.9 p -98.84 -8.24 26.1 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.065 0.459 . . . . 1.6 110.881 174.836 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -77.13 -36.49 55.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.012 -0.54 . . . . 2.94 110.426 -179.266 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -119.1 135.51 54.62 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.191 0.519 . . . . 0.93 111.633 178.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 34.4 mtmm -90.47 -21.67 21.76 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.692 -0.855 . . . . 3.4 108.692 168.522 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -160.21 158.29 29.78 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.791 -1.095 . . . . 2.02 108.998 178.585 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 599' ' ' LEU . . . . . 0.585 HD12 ' HB2' ' A' ' 562' ' ' GLU . 98.6 mt -92.93 -61.75 1.52 Allowed 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 109.286 -0.635 . . . . 1.02 109.286 175.623 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 44.32 87.65 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 O-C-N 124.743 1.277 . . . . 2.87 111.56 -179.205 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 90.9 mt -64.25 -176.33 0.21 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.476 -0.784 . . . . 1.47 111.716 -176.767 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -54.66 -36.85 65.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.274 0.559 . . . . 5.4 109.514 174.486 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 50.7 mtpt -76.01 118.2 69.49 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 115.394 -0.821 . . . . 5.81 109.49 171.31 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 604' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -80.64 38.29 0.74 Allowed 'Trans proline' 0 N--CA 1.464 -0.239 0 C-N-CA 122.501 2.134 . . . . 6.24 112.387 -179.6 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 605' ' ' GLY . . . . . . . . . . . . . . . 66.11 -106.32 1.55 Allowed Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 121.008 -0.615 . . . . 6.9 111.795 -176.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -129.62 49.8 2.23 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.102 0.477 . . . . 8.87 110.444 -179.643 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -76.0 86.91 2.92 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.995 -0.548 . . . . 9.21 109.792 177.242 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 45.1 t -98.93 -58.12 4.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.847 -0.615 . . . . 9.63 109.92 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -99.4 -64.0 1.08 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.586 -0.734 . . . . 9.47 110.014 178.371 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -170.36 144.61 2.54 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.815 -0.629 . . . . 9.11 109.796 179.411 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 59.4 mt -112.85 82.64 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 N-CA-C 109.364 -0.606 . . . . 8.31 109.364 176.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 612' ' ' ILE . . . . . . . . . . . . . 52.8 mt -76.72 118.2 22.83 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.527 0 CA-C-N 115.743 -0.662 . . . . 8.86 109.436 179.74 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -107.7 13.81 26.19 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.861 -0.608 . . . . 10.28 111.683 -172.663 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -61.92 -51.45 68.09 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 108.866 -0.79 . . . . 10.41 108.866 174.508 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 615' ' ' ILE . . . . . . . . . . . . . 74.6 mt -100.0 112.27 32.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 107.806 -1.183 . . . . 8.61 107.806 164.735 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 616' ' ' HIS . . . . . 0.549 ' HB3' ' HG2' ' A' ' 516' ' ' LYS . 31.5 m80 -75.28 70.11 2.17 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.738 0.644 . . . . 6.75 112.738 -172.578 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 33.0 p -145.31 30.26 1.14 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.35 -0.841 . . . . 6.99 109.28 170.338 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 618' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 53.68 71.39 0.51 Allowed 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 114.8 -1.091 . . . . 9.26 111.527 -177.53 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 28.8 mmm180 -90.06 163.13 15.01 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.867 -0.606 . . . . 12.9 110.028 179.559 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 620' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -157.67 174.33 15.5 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.211 -0.449 . . . . 11.34 110.143 -179.097 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 68.5 mtm180 . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.527 -0.749 . . . . 11.46 109.725 174.509 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.763 0 N-CA-C 112.13 -0.388 . . . . 6.72 112.13 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . -144.41 116.62 8.44 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.796 0.332 . . . . 5.43 110.618 179.44 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 80.6 mtp -119.65 36.22 4.58 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.269 0.557 . . . . 6.23 110.092 179.669 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 513' ' ' ALA . . . . . 0.478 ' HA ' ' HB ' ' A' ' 548' ' ' THR . . . -64.71 136.33 56.83 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.454 -0.794 . . . . 2.28 110.563 178.081 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 514' ' ' GLN . . . . . 0.643 ' O ' ' HA ' ' A' ' 617' ' ' SER . 30.2 mm-40 -85.08 -17.69 36.61 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 110.212 -0.292 . . . . 5.14 110.212 177.715 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 515' ' ' ARG . . . . . 0.452 ' HB2' ' O ' ' A' ' 514' ' ' GLN . 88.0 mtt180 70.31 -34.14 0.28 Allowed 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.016 0.526 . . . . 6.6 111.543 -178.721 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 516' ' ' LYS . . . . . 0.479 ' H ' ' C ' ' A' ' 514' ' ' GLN . 28.1 mtpp -43.07 -39.93 2.93 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.53 -0.759 . . . . 5.25 110.931 171.763 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 517' ' ' GLY . . . . . 0.527 ' HA2' ' CG ' ' A' ' 562' ' ' GLU . . . 67.36 17.49 68.5 Favored Glycine 0 N--CA 1.443 -0.87 0 CA-C-N 114.879 -1.055 . . . . 3.29 111.512 -178.669 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 518' ' ' ALA . . . . . 0.517 ' HB1' ' HA ' ' A' ' 566' ' ' THR . . . 68.94 -22.59 0.14 Allowed 'General case' 0 N--CA 1.463 0.188 0 C-N-CA 123.661 0.784 . . . . 2.38 111.654 -175.327 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 519' ' ' GLY . . . . . 0.482 ' H ' ' C ' ' A' ' 517' ' ' GLY . . . 93.23 -3.6 72.93 Favored Glycine 0 N--CA 1.44 -1.064 0 N-CA-C 109.499 -1.44 . . . . 1.58 109.499 -168.57 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 87.6 mtt180 -150.13 138.83 20.77 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 114.65 -0.775 . . . . 2.39 109.667 179.741 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 521' ' ' VAL . . . . . 0.474 ' O ' ' HB3' ' A' ' 593' ' ' SER . 61.5 t -112.95 139.12 39.7 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.874 0 N-CA-C 109.025 -0.732 . . . . 0.44 109.025 174.54 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 522' ' ' VAL . . . . . . . . . . . . . 86.1 t -99.58 133.89 40.8 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.871 0 CA-C-O 120.61 0.243 . . . . 0.25 110.426 -178.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 3.8 p-80 -110.69 140.05 45.41 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.655 -0.418 . . . . 1.75 109.934 178.385 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 524' ' ' ILE . . . . . 0.613 HD12 HG13 ' A' ' 537' ' ' VAL . 77.8 mt -112.12 130.04 66.52 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 115.812 -0.631 . . . . 0.28 110.774 -178.72 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 66.7 m -111.1 174.9 5.64 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.675 -0.693 . . . . 1.28 110.894 -177.604 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 13.6 m120 68.82 27.05 5.82 Favored 'General case' 0 N--CA 1.467 0.422 0 O-C-N 123.724 0.64 . . . . 1.22 111.599 177.541 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 85.7 mt -88.4 119.6 70.23 Favored Pre-proline 0 C--N 1.321 -0.636 0 CA-C-N 116.524 -0.307 . . . . 0.6 111.229 -177.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 528' ' ' PRO . . . . . 0.82 ' HD2' ' SG ' ' A' ' 532' ' ' CYS . 22.3 Cg_exo -68.34 130.81 21.91 Favored 'Trans proline' 0 C--O 1.237 0.462 0 C-N-CA 122.157 1.905 . . . . 0.62 112.028 169.373 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.33 139.76 52.08 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.009 -0.541 . . . . 2.98 111.042 176.732 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 80.14 -19.47 6.64 Favored Glycine 0 CA--C 1.518 0.228 0 CA-C-N 116.168 -0.469 . . . . 0.94 113.808 173.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 9.5 t -100.79 -34.28 9.89 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 117.169 0.484 . . . . 1.17 110.701 -177.452 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 532' ' ' CYS . . . . . 0.82 ' SG ' ' HD2' ' A' ' 528' ' ' PRO . 58.3 m -80.85 142.53 33.56 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.706 -0.479 . . . . 0.77 109.706 176.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 62.0 p -105.87 159.02 16.35 Favored 'General case' 0 N--CA 1.442 -0.834 0 C-N-CA 120.346 -0.542 . . . . 0.54 109.614 176.015 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 534' ' ' GLU . . . . . 0.464 ' HG2' ' CD1' ' A' ' 552' ' ' LEU . 24.5 mt-10 -55.55 -38.13 68.88 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 109.127 -0.694 . . . . 1.32 109.127 175.643 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -61.48 -43.83 98.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.614 -1.175 . . . . 1.95 111.358 -177.305 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 536' ' ' ASP . . . . . 0.609 ' O ' ' HG ' ' A' ' 540' ' ' LEU . 25.8 m-20 -62.13 -47.45 84.49 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 121.033 0.445 . . . . 0.52 110.82 -178.846 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 537' ' ' VAL . . . . . 0.613 HG13 HD12 ' A' ' 524' ' ' ILE . 85.8 t -62.2 -43.34 97.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.63 -0.714 . . . . 0.25 110.911 -177.653 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 97.0 mt -66.84 -41.93 88.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.988 -0.551 . . . . 0.24 110.64 177.71 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 539' ' ' ASN . . . . . 0.642 ' O ' ' HD3' ' A' ' 543' ' ' PRO . 75.3 m-20 -64.26 -29.32 70.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.838 -0.619 . . . . 1.07 112.138 -179.097 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 540' ' ' LEU . . . . . 0.609 ' HG ' ' O ' ' A' ' 536' ' ' ASP . 30.5 mt -64.51 -38.64 91.73 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 111.997 0.369 . . . . 0.36 111.997 -177.51 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -79.4 -35.68 28.87 Favored Glycine 0 CA--C 1.518 0.246 0 C-N-CA 120.515 -0.85 . . . . 0.22 112.746 -177.261 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 542' ' ' LEU . . . . . . . . . . . . . 69.6 mt -49.02 -44.43 71.81 Favored Pre-proline 0 CA--C 1.549 0.916 0 N-CA-C 115.323 1.601 . . . . 0.25 115.323 -175.625 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 543' ' ' PRO . . . . . 0.642 ' HD3' ' O ' ' A' ' 539' ' ' ASN . 70.8 Cg_exo -50.22 -33.38 35.93 Favored 'Trans proline' 0 C--N 1.355 0.886 0 C-N-CA 122.088 1.859 . . . . 0.19 115.527 -172.549 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -111.02 -17.72 13.21 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 113.214 0.82 . . . . 0.35 113.214 177.556 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -131.03 -148.53 6.28 Favored Glycine 0 C--O 1.227 -0.303 0 C-N-CA 120.803 -0.713 . . . . 1.14 113.314 -179.074 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 546' ' ' LYS . . . . . 0.616 ' O ' ' HA ' ' A' ' 563' ' ' MET . 60.1 tptt -143.95 139.51 29.15 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 109.7 -0.482 . . . . 1.56 109.7 178.879 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 547' ' ' VAL . . . . . 0.453 ' HA ' ' O ' ' A' ' 562' ' ' GLU . 90.3 t -104.81 118.78 52.73 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.591 0 CA-C-O 121.124 0.488 . . . . 0.25 110.428 -178.812 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 548' ' ' THR . . . . . 0.478 ' HB ' ' HA ' ' A' ' 513' ' ' ALA . 31.5 p -94.0 -38.56 11.1 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 115.59 -0.732 . . . . 0.37 111.012 178.212 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -147.64 166.08 28.5 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.434 -0.803 . . . . 1.43 109.449 -175.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 3.2 p90 -149.79 148.81 29.64 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.988 -0.375 . . . . 0.47 109.988 174.354 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 551' ' ' ILE . . . . . 0.4 HD12 HD22 ' A' ' 599' ' ' LEU . 17.1 mt -137.61 123.13 25.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 121.357 0.599 . . . . 0.37 109.591 176.473 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 552' ' ' LEU . . . . . 0.464 ' CD1' ' HG2' ' A' ' 534' ' ' GLU . 84.0 mt -105.27 115.6 30.54 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.575 -0.739 . . . . 0.45 110.985 -177.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 24.4 mmt -101.82 84.33 2.53 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.644 -0.873 . . . . 1.18 108.644 173.46 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 31.1 mmtp -69.56 -29.07 66.55 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.879 -0.6 . . . . 1.45 110.913 -178.56 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 67.1 p -58.56 -35.8 72.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.837 -0.62 . . . . 1.11 111.183 177.534 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 69.4 p -101.17 5.49 42.71 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.172 0.511 . . . . 0.88 110.554 177.456 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 6.3 t30 56.93 42.64 25.99 Favored 'General case' 0 C--O 1.226 -0.164 0 CA-C-N 114.996 -1.002 . . . . 2.35 111.002 179.284 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -140.22 155.36 46.93 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.842 0.353 . . . . 2.07 110.581 -175.407 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -129.93 143.84 51.01 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.778 0.323 . . . . 0.27 111.086 -177.492 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 560' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -122.91 137.13 55.03 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.759 -0.655 . . . . 0.33 109.91 178.119 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 561' ' ' LEU . . . . . 0.52 ' HB3' ' HE1' ' A' ' 563' ' ' MET . 15.4 tp -127.04 133.51 50.49 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.18 -0.464 . . . . 0.22 109.928 -175.634 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 562' ' ' GLU . . . . . 0.527 ' CG ' ' HA2' ' A' ' 517' ' ' GLY . 28.1 tt0 -100.97 139.1 37.13 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-O 120.733 0.302 . . . . 1.85 110.6 -177.499 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 563' ' ' MET . . . . . 0.616 ' HA ' ' O ' ' A' ' 546' ' ' LYS . 0.7 OUTLIER -110.96 155.16 23.09 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.07 -0.514 . . . . 0.96 111.31 -179.171 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 564' ' ' ALA . . . . . 0.44 ' HA ' HG21 ' A' ' 548' ' ' THR . . . -66.32 -45.87 78.84 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.002 -0.545 . . . . 0.36 111.455 -177.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -133.53 155.92 48.73 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.793 -0.64 . . . . 1.27 109.612 -178.754 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 566' ' ' THR . . . . . 0.517 ' HA ' ' HB1' ' A' ' 518' ' ' ALA . 9.4 t -56.43 -35.06 67.41 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.765 0.317 . . . . 0.52 110.444 179.348 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -61.89 -33.97 75.19 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-N 115.979 -0.555 . . . . 1.91 111.064 177.519 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 568' ' ' ALA . . . . . 0.408 ' HB1' ' H ' ' A' ' 546' ' ' LYS . . . -67.67 -46.57 71.96 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.105 0.478 . . . . 0.28 110.101 -179.648 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 569' ' ' ALA . . . . . 0.423 ' HA ' ' HG2' ' A' ' 563' ' ' MET . . . -69.42 -46.98 65.52 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.481 -0.781 . . . . 0.19 111.949 -178.183 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 570' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -69.34 -42.22 75.59 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.614 -0.266 . . . . 1.21 111.207 -175.324 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -62.51 -45.08 94.64 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 120.709 0.29 . . . . 0.31 111.162 -177.399 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 572' ' ' MET . . . . . 0.509 ' HB2' ' CE1' ' A' ' 576' ' ' TYR . 19.7 ptp -66.46 -45.45 79.69 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 116.153 -0.476 . . . . 0.62 110.255 -178.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 573' ' ' VAL . . . . . 0.627 HG13 ' HA ' ' A' ' 591' ' ' ARG . 70.8 t -67.3 -36.73 77.47 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.471 0 CA-C-N 116.271 -0.422 . . . . 0.21 111.744 -176.128 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 25.8 mm-40 -58.59 -37.54 76.03 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.563 -0.532 . . . . 1.9 109.563 176.566 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 73.2 t80 -69.41 -49.92 50.67 Favored 'General case' 0 C--O 1.217 -0.611 0 CA-C-N 115.784 -0.643 . . . . 0.52 110.928 172.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 576' ' ' TYR . . . . . 0.509 ' CE1' ' HB2' ' A' ' 572' ' ' MET . 21.2 m-85 -72.89 -23.96 60.78 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 113.039 0.755 . . . . 0.34 113.039 -171.611 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -69.24 -30.45 68.59 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.307 -0.557 . . . . 1.84 110.51 174.795 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 39.7 mm-40 -97.39 -39.34 9.24 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.102 -0.499 . . . . 2.07 111.162 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -129.26 78.94 75.13 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 115.834 -0.621 . . . . 2.07 109.539 178.433 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -69.54 159.59 52.99 Favored 'Trans proline' 0 CA--C 1.533 0.431 0 C-N-CA 123.716 2.944 . . . . 0.19 113.733 -173.364 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 581' ' ' ALA . . . . . 0.444 ' HB1' HD22 ' A' ' 540' ' ' LEU . . . -92.33 153.97 18.87 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 115.543 -0.753 . . . . 0.2 110.906 -174.127 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 582' ' ' ILE . . . . . 0.475 HG12 ' HG2' ' A' ' 587' ' ' LYS . 75.6 mt -112.84 129.06 69.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 113.277 0.843 . . . . 0.54 113.277 -169.113 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 583' ' ' ILE . . . . . 0.438 HD12 HD11 ' A' ' 588' ' ' LEU . 18.2 mt -124.19 127.47 73.36 Favored 'Isoleucine or valine' 0 C--O 1.234 0.282 0 CA-C-N 115.298 -0.865 . . . . 0.73 109.418 167.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 59.71 33.77 21.93 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 122.873 0.469 . . . . 1.46 111.787 -179.567 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 82.21 -4.12 78.05 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.782 -0.723 . . . . 0.67 113.541 176.427 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -107.15 138.2 43.77 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 117.162 0.481 . . . . 1.93 110.328 179.785 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 587' ' ' LYS . . . . . 0.475 ' HG2' HG12 ' A' ' 582' ' ' ILE . 28.8 mtpp -82.97 117.23 22.65 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.954 -0.566 . . . . 2.12 110.317 -178.81 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 588' ' ' LEU . . . . . 0.438 HD11 HD12 ' A' ' 583' ' ' ILE . 38.2 mt -85.68 136.28 33.42 Favored 'General case' 0 CA--C 1.509 -0.633 0 CA-C-N 115.583 -0.735 . . . . 0.28 109.698 178.75 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 50.5 tp -83.26 109.76 17.51 Favored 'General case' 0 C--N 1.313 -0.98 0 C-N-CA 120.002 -0.679 . . . . 0.38 109.183 173.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 590' ' ' ILE . . . . . 0.464 ' HB ' ' CB ' ' A' ' 576' ' ' TYR . 44.1 mt -97.26 114.98 35.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 N-CA-C 107.463 -1.31 . . . . 0.17 107.463 176.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 591' ' ' ARG . . . . . 0.627 ' HA ' HG13 ' A' ' 573' ' ' VAL . 13.5 ptm180 -143.28 156.77 44.8 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.274 0.559 . . . . 3.0 112.469 -170.234 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 592' ' ' MET . . . . . 0.62 ' HG2' HG11 ' A' ' 573' ' ' VAL . 0.6 OUTLIER -64.03 125.02 23.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.067 -0.97 . . . . 0.33 109.997 -178.004 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 593' ' ' SER . . . . . 0.474 ' HB3' ' O ' ' A' ' 521' ' ' VAL . 29.9 t -89.57 135.84 33.37 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.874 0.369 . . . . 1.04 110.188 177.585 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 16.7 p -97.43 -4.05 38.96 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.381 0.61 . . . . 1.6 110.182 175.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -84.35 -25.25 29.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.37 -0.832 . . . . 2.94 111.376 -176.288 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 47.4 m-85 -131.3 132.88 44.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.041 0.448 . . . . 0.93 111.295 177.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 28.6 ttpp -92.03 -29.17 16.73 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.563 -0.744 . . . . 3.4 109.711 172.746 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -157.71 145.53 18.72 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 114.975 -1.011 . . . . 2.02 109.396 -178.441 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 599' ' ' LEU . . . . . 0.413 HD12 ' HB2' ' A' ' 562' ' ' GLU . 77.2 mt -92.92 108.39 19.96 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.497 0.665 . . . . 1.02 111.0 -179.615 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 30.1 mm-40 -92.31 92.96 8.39 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.694 -0.684 . . . . 2.87 109.847 178.037 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 75.8 mt -55.02 130.13 40.54 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.42 -0.809 . . . . 1.47 110.581 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -77.6 71.24 4.07 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.603 0.716 . . . . 5.4 110.262 -177.75 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -110.69 143.93 29.22 Favored Pre-proline 0 C--N 1.32 -0.697 0 CA-C-N 115.197 -0.911 . . . . 5.81 109.542 -178.524 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 604' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -72.24 -12.22 27.51 Favored 'Trans proline' 0 C--O 1.233 0.248 0 C-N-CA 122.41 2.073 . . . . 6.24 111.279 175.102 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 605' ' ' GLY . . . . . . . . . . . . . . . -161.53 148.64 16.51 Favored Glycine 0 N--CA 1.444 -0.805 0 N-CA-C 110.654 -0.978 . . . . 6.9 110.654 176.183 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 44.8 mmtm -102.47 -62.71 1.23 Allowed 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 117.026 0.413 . . . . 8.87 110.716 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -161.44 159.95 28.73 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.736 -0.468 . . . . 9.21 109.736 -177.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 40.8 t -49.04 -65.8 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 O-C-N 123.552 0.533 . . . . 9.63 111.754 -176.11 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -102.8 42.47 1.15 Allowed 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.891 -0.411 . . . . 9.47 109.891 178.224 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . 62.47 180.0 0.14 Allowed 'General case' 0 CA--C 1.527 0.068 0 CA-C-N 115.395 -0.82 . . . . 9.11 110.761 -176.064 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 60.0 mt -103.27 75.44 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 N-CA-C 109.094 -0.706 . . . . 8.31 109.094 179.053 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 612' ' ' ILE . . . . . . . . . . . . . 73.6 mt -119.43 96.28 4.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.415 -0.812 . . . . 8.86 110.372 -176.6 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 26.1 mm-40 -66.2 -59.26 3.91 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.323 -0.853 . . . . 10.28 109.947 177.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -140.18 -108.1 0.16 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.67 -0.695 . . . . 10.41 109.657 177.75 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 615' ' ' ILE . . . . . . . . . . . . . 2.5 pp -111.33 1.2 9.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.583 0.706 . . . . 8.61 109.652 172.309 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 20.6 m170 -83.8 58.74 4.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.341 -0.845 . . . . 6.75 109.94 178.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 617' ' ' SER . . . . . 0.643 ' HA ' ' O ' ' A' ' 514' ' ' GLN . 18.4 t -163.09 158.78 22.39 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.307 -0.406 . . . . 6.99 110.187 -177.151 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 618' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -106.83 165.63 11.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.242 -0.436 . . . . 9.26 109.966 177.521 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 51.4 mtt180 56.56 55.45 6.44 Favored 'General case' 0 C--O 1.235 0.325 0 O-C-N 123.527 0.517 . . . . 12.9 110.901 -178.675 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 620' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -75.59 108.78 8.65 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.81 -0.632 . . . . 11.34 110.94 -178.701 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 29.0 mtp180 . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.007 -0.996 . . . . 11.46 111.19 177.093 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.646 0 N-CA-C 111.937 -0.465 . . . . 6.72 111.937 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . 69.77 5.87 5.44 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 123.285 0.634 . . . . 5.43 111.511 179.66 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 512' ' ' MET . . . . . 0.404 ' HA ' ' NH2' ' A' ' 515' ' ' ARG . 24.8 mmt -92.34 -45.18 8.32 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.258 0.551 . . . . 6.23 109.625 178.55 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -95.75 162.26 13.68 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.687 -0.688 . . . . 2.28 109.205 173.388 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 514' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 70.4 -45.55 0.6 Allowed 'General case' 0 N--CA 1.466 0.374 0 O-C-N 123.858 0.724 . . . . 5.14 110.686 -173.659 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 515' ' ' ARG . . . . . 0.404 ' NH2' ' HA ' ' A' ' 512' ' ' MET . 1.5 mmp_? 71.99 -60.13 0.53 Allowed 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 124.028 0.931 . . . . 6.6 111.348 175.512 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 516' ' ' LYS . . . . . 0.403 ' C ' ' H ' ' A' ' 518' ' ' ALA . 28.1 mmtp -84.86 165.02 18.06 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.589 -0.523 . . . . 5.25 109.589 173.695 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -78.12 35.05 1.71 Allowed Glycine 0 N--CA 1.453 -0.183 0 C-N-CA 121.102 -0.57 . . . . 3.29 112.359 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 518' ' ' ALA . . . . . 0.403 ' H ' ' C ' ' A' ' 516' ' ' LYS . . . -143.08 -82.43 0.18 Allowed 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.712 -0.477 . . . . 2.38 109.712 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 74.54 135.08 0.36 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 121.038 -0.601 . . . . 1.58 112.475 179.36 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 47.0 mtt180 -139.12 153.29 47.97 Favored 'General case' 0 C--N 1.322 -0.587 0 O-C-N 122.691 -0.299 . . . . 2.39 110.551 178.155 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 95.0 t -110.03 134.02 53.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.883 -0.599 . . . . 0.44 110.541 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 522' ' ' VAL . . . . . 0.413 HG22 ' HE3' ' A' ' 592' ' ' MET . 48.0 t -107.84 133.92 51.22 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.941 0 CA-C-N 115.638 -0.71 . . . . 0.25 109.272 176.388 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 523' ' ' HIS . . . . . 0.566 ' HB3' ' OG ' ' A' ' 593' ' ' SER . 8.2 p-80 -111.91 140.29 46.69 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.281 0.562 . . . . 1.75 110.481 -178.508 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 524' ' ' ILE . . . . . 0.536 HD12 HG13 ' A' ' 537' ' ' VAL . 76.7 mt -113.32 130.46 67.24 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.86 0 CA-C-N 115.193 -0.912 . . . . 0.28 110.365 -179.765 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 22.0 p -120.27 175.31 6.01 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.959 -0.564 . . . . 1.28 110.274 -179.005 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 18.6 m120 67.11 29.78 7.69 Favored 'General case' 0 N--CA 1.467 0.385 0 O-C-N 123.533 0.52 . . . . 1.22 110.755 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 78.5 mt -80.73 122.08 81.8 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 115.785 -0.643 . . . . 0.6 110.799 -176.267 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 528' ' ' PRO . . . . . 0.47 ' HD2' ' SG ' ' A' ' 532' ' ' CYS . 39.9 Cg_endo -68.26 130.21 20.82 Favored 'Trans proline' 0 N--CA 1.459 -0.528 0 C-N-CA 121.821 1.68 . . . . 0.62 111.421 177.788 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -68.45 125.41 26.39 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.654 -0.703 . . . . 2.98 110.88 -177.524 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 82.28 -15.89 26.25 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.98 -0.628 . . . . 0.94 113.659 176.378 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 46.6 t -89.93 -36.7 14.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 117.41 0.605 . . . . 1.17 110.938 -177.662 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 532' ' ' CYS . . . . . 0.47 ' SG ' ' HD2' ' A' ' 528' ' ' PRO . 74.6 m -87.01 138.95 31.06 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.633 -0.258 . . . . 0.77 110.733 176.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 81.5 p -105.68 169.82 8.25 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.44 -0.578 . . . . 0.54 109.44 174.093 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 534' ' ' GLU . . . . . 0.53 ' HG3' ' CD1' ' A' ' 552' ' ' LEU . 1.6 mp0 -57.0 -44.34 82.68 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.04 0.447 . . . . 1.32 110.342 -179.748 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -61.86 -41.88 98.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.652 -0.704 . . . . 1.95 111.698 -176.637 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 536' ' ' ASP . . . . . 0.476 ' O ' ' HG ' ' A' ' 540' ' ' LEU . 60.6 m-20 -58.9 -47.53 84.65 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 120.961 0.41 . . . . 0.52 110.655 -176.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 537' ' ' VAL . . . . . 0.536 HG13 HD12 ' A' ' 524' ' ' ILE . 48.4 t -63.35 -45.69 97.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.457 -0.792 . . . . 0.25 110.532 -177.356 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 92.6 mt -62.93 -40.42 88.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.777 -0.647 . . . . 0.24 111.005 178.787 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 539' ' ' ASN . . . . . 0.642 ' O ' ' HD3' ' A' ' 543' ' ' PRO . 5.2 m-20 -69.27 -28.75 66.57 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.906 -0.588 . . . . 1.07 112.104 -176.846 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 540' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' A' ' 536' ' ' ASP . 24.2 mt -64.11 -33.07 74.94 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.678 0.622 . . . . 0.36 112.678 -176.414 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -78.27 -32.1 44.49 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 119.906 -1.14 . . . . 0.22 111.953 179.627 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 542' ' ' LEU . . . . . 0.619 HD12 ' HA ' ' A' ' 539' ' ' ASN . 96.1 mt -53.82 -39.42 73.1 Favored Pre-proline 0 CA--C 1.549 0.922 0 N-CA-C 115.406 1.632 . . . . 0.25 115.406 -173.344 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 543' ' ' PRO . . . . . 0.642 ' HD3' ' O ' ' A' ' 539' ' ' ASN . 79.7 Cg_exo -53.39 -34.24 70.19 Favored 'Trans proline' 0 C--N 1.355 0.916 0 CA-C-N 121.258 1.485 . . . . 0.19 115.05 -174.863 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 544' ' ' PHE . . . . . 0.505 ' HB2' ' CB ' ' A' ' 572' ' ' MET . 90.6 m-85 -111.26 -18.47 12.94 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 113.094 0.775 . . . . 0.35 113.094 177.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 545' ' ' GLY . . . . . 0.567 ' CA ' ' HB1' ' A' ' 568' ' ' ALA . . . -131.61 -159.6 9.51 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.718 -0.753 . . . . 1.14 113.38 -179.434 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 546' ' ' LYS . . . . . 0.628 ' O ' ' HA ' ' A' ' 563' ' ' MET . 55.8 tttp -136.44 137.84 40.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 122.595 -0.356 . . . . 1.56 110.391 175.234 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 547' ' ' VAL . . . . . 0.497 ' HA ' ' O ' ' A' ' 562' ' ' GLU . 94.0 t -95.67 133.4 36.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 123.509 0.505 . . . . 0.25 111.049 -178.131 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 36.4 p -107.86 -38.14 5.91 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.759 -0.655 . . . . 0.37 111.288 175.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 43.9 m-20 -148.71 165.78 30.35 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.898 -0.592 . . . . 1.43 110.095 -176.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 550' ' ' TYR . . . . . 0.572 ' O ' HD11 ' A' ' 601' ' ' LEU . 7.8 p90 -147.82 148.59 31.06 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.055 0.455 . . . . 0.47 111.05 177.026 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 551' ' ' ILE . . . . . 0.451 HD12 HD22 ' A' ' 599' ' ' LEU . 25.8 mt -133.14 121.48 43.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 108.59 -0.893 . . . . 0.37 108.59 171.453 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 552' ' ' LEU . . . . . 0.53 ' CD1' ' HG3' ' A' ' 534' ' ' GLU . 77.3 mt -112.1 115.55 29.06 Favored 'General case' 0 C--N 1.312 -1.026 0 CA-C-N 116.02 -0.537 . . . . 0.45 111.585 -175.853 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 66.7 mtt -108.36 84.66 1.98 Allowed 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.094 -0.706 . . . . 1.18 109.094 173.628 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 27.8 mmtp -68.26 -35.54 78.05 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.311 -0.859 . . . . 1.45 110.634 -175.588 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 65.1 p -68.5 -23.07 64.51 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.595 -0.73 . . . . 1.11 112.123 -177.457 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 76.6 p -107.09 10.28 30.23 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.946 -0.302 . . . . 0.88 111.342 179.201 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 57.17 44.06 22.92 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 115.633 -0.712 . . . . 2.35 110.872 178.794 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -140.97 148.7 40.76 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.083 0.468 . . . . 2.07 110.831 -178.366 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 559' ' ' ALA . . . . . 0.5 ' O ' ' HA ' ' A' ' 523' ' ' HIS . . . -134.92 143.37 46.88 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 116.01 -0.541 . . . . 0.27 110.021 177.346 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 560' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -125.95 127.02 45.3 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.834 -0.432 . . . . 0.33 109.834 178.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 14.5 tp -126.72 129.95 49.4 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.026 -0.534 . . . . 0.22 109.782 -175.319 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 562' ' ' GLU . . . . . 0.497 ' O ' ' HA ' ' A' ' 547' ' ' VAL . 40.8 tt0 -99.21 137.97 36.97 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-O 120.647 0.261 . . . . 1.85 110.481 -174.517 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 563' ' ' MET . . . . . 0.628 ' HA ' ' O ' ' A' ' 546' ' ' LYS . 20.3 mmt -113.61 136.37 52.9 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.011 -0.54 . . . . 0.96 111.624 -175.194 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -65.05 -21.2 66.79 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-N 114.956 -1.02 . . . . 0.36 112.183 -176.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 565' ' ' TYR . . . . . 0.42 ' HB2' ' HB2' ' A' ' 568' ' ' ALA . 41.7 m-85 -130.78 139.89 50.26 Favored 'General case' 0 C--N 1.315 -0.933 0 N-CA-C 109.229 -0.656 . . . . 1.27 109.229 -177.81 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 15.0 t -66.85 -29.39 69.29 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.523 -0.547 . . . . 0.52 109.523 176.132 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -66.21 -40.5 90.4 Favored 'General case' 0 CA--C 1.511 -0.521 0 CA-C-N 115.837 -0.62 . . . . 1.91 110.019 173.052 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 568' ' ' ALA . . . . . 0.567 ' HB1' ' CA ' ' A' ' 545' ' ' GLY . . . -61.33 -46.33 90.71 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.407 -0.815 . . . . 0.28 110.687 -177.249 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 569' ' ' ALA . . . . . 0.448 ' HB1' ' HE1' ' A' ' 592' ' ' MET . . . -67.92 -47.7 68.01 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.192 -0.458 . . . . 0.19 111.693 -177.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 570' ' ' GLN . . . . . 0.587 ' O ' ' HG2' ' A' ' 574' ' ' GLN . 47.7 mt-30 -68.73 -45.79 70.59 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.564 -0.289 . . . . 1.21 111.334 -176.762 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -63.9 -45.37 89.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.511 -0.313 . . . . 0.31 111.625 -175.613 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 572' ' ' MET . . . . . 0.505 ' CB ' ' HB2' ' A' ' 544' ' ' PHE . 18.6 ptp -62.2 -43.76 98.1 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.053 0.454 . . . . 0.62 110.076 -178.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 573' ' ' VAL . . . . . 0.635 HG13 ' HA ' ' A' ' 591' ' ' ARG . 93.8 t -66.91 -35.96 76.01 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.752 0 CA-C-N 115.753 -0.658 . . . . 0.21 111.261 -178.116 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 574' ' ' GLN . . . . . 0.587 ' HG2' ' O ' ' A' ' 570' ' ' GLN . 29.1 mm-40 -58.63 -37.43 75.89 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.504 -0.554 . . . . 1.9 109.504 177.187 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 83.3 t80 -68.91 -49.6 56.74 Favored 'General case' 0 C--O 1.218 -0.563 0 CA-C-N 115.788 -0.642 . . . . 0.52 110.944 172.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 576' ' ' TYR . . . . . 0.483 ' CB ' ' HB ' ' A' ' 590' ' ' ILE . 25.4 m-85 -74.0 -17.02 61.04 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 112.894 0.702 . . . . 0.34 112.894 -172.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 17.7 mm-40 -73.96 -29.84 62.21 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-O 120.976 0.417 . . . . 1.84 110.231 173.121 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -98.25 -40.34 8.4 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.092 -0.503 . . . . 2.07 111.541 179.632 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -130.44 81.06 69.06 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-N 115.707 -0.679 . . . . 2.07 109.534 176.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_exo -67.74 159.9 50.66 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 123.515 2.81 . . . . 0.19 111.926 -175.497 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -91.71 135.93 33.52 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.927 0.394 . . . . 0.2 110.692 -172.421 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 45.3 mt -106.69 129.95 59.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-N 115.995 -0.548 . . . . 0.54 111.148 -173.33 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 583' ' ' ILE . . . . . 0.412 HD12 HD11 ' A' ' 588' ' ' LEU . 47.7 mt -121.81 117.95 54.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.353 -0.385 . . . . 0.73 110.367 176.026 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 52.85 44.73 29.96 Favored 'General case' 0 N--CA 1.464 0.262 0 O-C-N 123.703 0.627 . . . . 1.46 111.416 176.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 85.88 -4.11 86.28 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.98 -0.629 . . . . 0.67 113.386 176.729 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 60.2 mm-40 -101.94 126.58 48.89 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 117.19 0.495 . . . . 1.93 110.763 -179.245 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -84.48 107.14 16.57 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.772 -0.455 . . . . 2.12 109.772 178.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 588' ' ' LEU . . . . . 0.47 HD12 ' CD1' ' A' ' 540' ' ' LEU . 42.2 mt -89.17 123.22 33.22 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.178 -0.465 . . . . 0.28 110.297 -179.507 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 36.2 tp -83.03 109.2 16.9 Favored 'General case' 0 N--CA 1.437 -1.08 0 N-CA-C 108.47 -0.937 . . . . 0.38 108.47 174.606 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 590' ' ' ILE . . . . . 0.483 ' HB ' ' CB ' ' A' ' 576' ' ' TYR . 35.2 mt -95.94 115.24 34.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 N-CA-C 107.834 -1.173 . . . . 0.17 107.834 178.755 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 591' ' ' ARG . . . . . 0.635 ' HA ' HG13 ' A' ' 573' ' ' VAL . 13.5 ptm180 -142.35 158.78 43.34 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 113.055 0.761 . . . . 3.0 113.055 -169.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 592' ' ' MET . . . . . 0.618 ' HG2' HG11 ' A' ' 573' ' ' VAL . 0.1 OUTLIER -64.12 134.33 54.69 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.006 -0.997 . . . . 0.33 111.395 -174.89 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 593' ' ' SER . . . . . 0.566 ' OG ' ' HB3' ' A' ' 523' ' ' HIS . 19.3 m -88.78 127.1 35.6 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.624 0.25 . . . . 1.04 111.407 176.161 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 9.3 t -95.14 -23.34 17.34 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.244 -0.65 . . . . 1.6 109.244 171.663 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 39.6 mmt180 -71.4 -32.53 68.53 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.462 -0.79 . . . . 2.94 111.127 -178.257 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -124.78 130.95 53.39 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 110.25 -0.278 . . . . 0.93 110.25 179.002 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 44.0 mmtm -93.49 -35.52 12.91 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.303 0.573 . . . . 3.4 109.689 172.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -147.04 148.93 32.16 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.236 -0.893 . . . . 2.02 109.922 178.701 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 599' ' ' LEU . . . . . 0.451 HD22 HD12 ' A' ' 551' ' ' ILE . 80.1 mt -95.18 103.56 15.42 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.702 -0.481 . . . . 1.02 109.702 175.456 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -83.39 76.68 9.9 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-O 121.137 0.494 . . . . 2.87 110.885 -175.53 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 601' ' ' LEU . . . . . 0.572 HD11 ' O ' ' A' ' 550' ' ' TYR . 72.2 mt -88.44 152.02 22.17 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.903 -0.59 . . . . 1.47 110.233 177.143 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.87 29.94 0.88 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.279 0.561 . . . . 5.4 110.867 178.066 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 29.9 mtpp -98.4 114.17 64.95 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 115.717 -0.674 . . . . 5.81 109.843 178.645 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 604' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -82.38 167.99 15.06 Favored 'Trans proline' 0 N--CA 1.459 -0.521 0 C-N-CA 122.703 2.269 . . . . 6.24 112.601 -178.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 605' ' ' GLY . . . . . . . . . . . . . . . -107.2 88.65 0.55 Allowed Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.841 -0.695 . . . . 6.9 111.659 178.355 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -115.1 -51.97 2.7 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.093 0.473 . . . . 8.87 110.438 -178.548 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 41.7 t30 -97.98 128.25 44.43 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.776 -0.647 . . . . 9.21 110.419 -178.256 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 59.9 t 73.8 -55.16 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 C-N-CA 123.454 0.701 . . . . 9.63 111.411 178.805 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -56.2 103.21 0.1 Allowed 'General case' 0 N--CA 1.452 -0.359 0 O-C-N 123.495 0.497 . . . . 9.47 110.498 179.21 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -59.62 117.71 5.25 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.202 -0.908 . . . . 9.11 111.346 -177.785 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 67.4 mt -69.06 96.19 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.596 -0.729 . . . . 8.31 110.29 175.028 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 612' ' ' ILE . . . . . . . . . . . . . 68.9 mt -114.49 101.12 11.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.117 -0.492 . . . . 8.86 110.319 179.45 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -117.43 28.12 8.66 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.222 0.534 . . . . 10.28 110.486 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -166.7 114.83 0.86 Allowed 'General case' 0 N--CA 1.445 -0.717 0 N-CA-C 108.36 -0.978 . . . . 10.41 108.36 -178.275 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 615' ' ' ILE . . . . . . . . . . . . . 25.3 mt 62.54 83.29 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 CA-C-N 114.624 -1.171 . . . . 8.61 109.73 -174.212 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 12.1 m170 -81.1 16.18 1.62 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.764 -0.653 . . . . 6.75 111.429 -172.161 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 8.4 t -112.9 13.64 19.63 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.245 0.545 . . . . 6.99 109.691 176.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 618' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -78.89 159.9 27.54 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.751 -0.659 . . . . 9.26 110.489 177.148 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 75.1 mtt180 -71.55 129.1 37.9 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.02 -0.536 . . . . 12.9 109.575 177.515 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 620' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -67.64 112.36 4.72 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.476 0.655 . . . . 11.34 110.604 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 71.4 mtm180 . . . . . 0 C--O 1.248 0.977 0 CA-C-O 118.596 -0.716 . . . . 11.46 109.857 -179.76 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.802 0 N-CA-C 111.334 -0.706 . . . . 6.72 111.334 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . -161.25 165.76 28.76 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 110.186 -0.301 . . . . 5.43 110.186 -177.478 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 53.5 ttp -71.49 -9.47 58.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.271 0.558 . . . . 6.23 110.163 179.176 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -71.87 94.9 1.47 Allowed 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 115.646 -0.706 . . . . 2.28 110.327 175.093 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 514' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -72.8 -8.57 56.11 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.188 -0.46 . . . . 5.14 110.576 177.178 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 7.3 mtp180 71.76 -38.09 0.41 Allowed 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 123.584 0.754 . . . . 6.6 111.652 177.087 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 53.4 mtpt -69.36 68.09 0.21 Allowed 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.35 -0.611 . . . . 5.25 109.35 167.63 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 517' ' ' GLY . . . . . 0.417 ' C ' ' H ' ' A' ' 519' ' ' GLY . . . -74.48 56.9 2.48 Favored Glycine 0 N--CA 1.445 -0.713 0 C-N-CA 121.207 -0.52 . . . . 3.29 111.965 -178.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 518' ' ' ALA . . . . . 0.463 ' HA ' ' N ' ' A' ' 566' ' ' THR . . . 68.82 -13.83 0.31 Allowed 'General case' 0 C--O 1.234 0.254 0 C-N-CA 123.559 0.743 . . . . 2.38 112.302 177.396 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 519' ' ' GLY . . . . . 0.417 ' H ' ' C ' ' A' ' 517' ' ' GLY . . . 75.41 7.61 82.86 Favored Glycine 0 N--CA 1.437 -1.236 0 N-CA-C 109.264 -1.535 . . . . 1.58 109.264 -169.088 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -151.83 138.32 18.62 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 114.582 -0.809 . . . . 2.39 109.53 -178.502 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 71.6 t -106.81 138.58 31.86 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.056 0 N-CA-C 108.44 -0.948 . . . . 0.44 108.44 173.474 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 522' ' ' VAL . . . . . . . . . . . . . 68.0 t -98.73 127.36 51.39 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.024 0 N-CA-C 109.865 -0.42 . . . . 0.25 109.865 -176.649 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 523' ' ' HIS . . . . . 0.467 ' HA ' ' O ' ' A' ' 559' ' ' ALA . 2.5 p-80 -106.37 138.29 42.82 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.23 0.538 . . . . 1.75 110.375 -179.701 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 524' ' ' ILE . . . . . 0.616 HD12 HG13 ' A' ' 537' ' ' VAL . 79.3 mt -112.1 137.7 43.82 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-N 115.351 -0.84 . . . . 0.28 110.056 -179.6 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 63.5 m -124.46 172.03 9.49 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.875 -0.602 . . . . 1.28 110.872 -174.361 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 63.9 37.7 9.37 Favored 'General case' 0 N--CA 1.467 0.38 0 O-C-N 123.72 0.637 . . . . 1.22 110.753 179.083 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 527' ' ' LEU . . . . . 0.414 HD21 HD13 ' A' ' 588' ' ' LEU . 80.4 mt -90.14 122.27 67.79 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 115.962 -0.563 . . . . 0.6 110.751 -177.223 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 528' ' ' PRO . . . . . 0.47 ' HD2' ' SG ' ' A' ' 532' ' ' CYS . 32.8 Cg_endo -68.45 129.18 18.52 Favored 'Trans proline' 0 C--O 1.237 0.469 0 C-N-CA 121.622 1.548 . . . . 0.62 111.793 174.293 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -68.7 126.65 30.4 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.681 -0.69 . . . . 2.98 110.43 178.045 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 88.54 -17.79 46.71 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.709 -0.758 . . . . 0.94 113.526 174.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 7.6 t -99.03 -37.44 9.36 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 117.454 0.627 . . . . 1.17 110.888 -177.309 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 532' ' ' CYS . . . . . 0.47 ' SG ' ' HD2' ' A' ' 528' ' ' PRO . 76.5 m -87.9 135.58 33.34 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 110.093 -0.336 . . . . 0.77 110.093 173.71 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 69.3 p -105.83 170.42 7.91 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.889 -0.325 . . . . 0.54 110.133 178.557 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -52.64 -44.21 65.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.316 0.579 . . . . 1.32 109.73 175.738 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -59.8 -43.49 94.42 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 114.965 -1.016 . . . . 1.95 112.065 -175.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 536' ' ' ASP . . . . . 0.711 ' O ' ' HG ' ' A' ' 540' ' ' LEU . 27.8 m-20 -62.27 -46.54 88.32 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 120.68 -0.408 . . . . 0.52 110.45 -177.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 537' ' ' VAL . . . . . 0.616 HG13 HD12 ' A' ' 524' ' ' ILE . 52.3 t -61.64 -45.61 98.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.764 -0.653 . . . . 0.25 110.285 -177.848 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 95.8 mt -67.07 -41.39 87.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.77 -0.65 . . . . 0.24 111.02 178.572 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 539' ' ' ASN . . . . . 0.622 ' O ' ' HD3' ' A' ' 543' ' ' PRO . 85.9 m-20 -63.94 -28.35 69.77 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-N 116.197 -0.456 . . . . 1.07 111.816 -178.527 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 540' ' ' LEU . . . . . 0.711 ' HG ' ' O ' ' A' ' 536' ' ' ASP . 51.7 mt -68.26 -36.95 80.23 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.132 0.419 . . . . 0.36 112.132 -177.472 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -75.46 -38.64 37.73 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.144 -1.027 . . . . 0.22 112.323 -179.052 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 542' ' ' LEU . . . . . . . . . . . . . 98.0 mt -49.69 -42.59 68.82 Favored Pre-proline 0 CA--C 1.552 1.028 0 N-CA-C 115.284 1.587 . . . . 0.25 115.284 -173.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 543' ' ' PRO . . . . . 0.622 ' HD3' ' O ' ' A' ' 539' ' ' ASN . 90.0 Cg_exo -52.4 -34.53 61.51 Favored 'Trans proline' 0 C--N 1.356 0.957 0 C-N-CA 121.892 1.728 . . . . 0.19 115.457 -173.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 544' ' ' PHE . . . . . 0.511 ' HB2' ' CB ' ' A' ' 572' ' ' MET . 82.4 m-85 -110.84 -17.63 13.29 Favored 'General case' 0 N--CA 1.466 0.351 0 O-C-N 121.569 -0.707 . . . . 0.35 112.799 177.264 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 545' ' ' GLY . . . . . 0.4 ' HA3' ' CE ' ' A' ' 572' ' ' MET . . . -131.41 -147.75 6.06 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.936 -0.649 . . . . 1.14 113.103 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 546' ' ' LYS . . . . . 0.646 ' O ' ' HA ' ' A' ' 563' ' ' MET . 59.9 tttp -148.77 143.84 26.63 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.649 -0.5 . . . . 1.56 109.649 174.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 547' ' ' VAL . . . . . 0.477 ' HA ' ' O ' ' A' ' 562' ' ' GLU . 97.0 t -100.35 130.2 49.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.039 0.447 . . . . 0.25 110.859 -177.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 26.6 p -103.36 -39.54 6.75 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.67 -0.696 . . . . 0.37 111.335 175.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 64.6 m-80 -148.96 166.23 29.24 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.896 -0.593 . . . . 1.43 109.864 -179.139 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 10.9 p90 -148.05 150.35 33.78 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.594 -0.276 . . . . 0.47 110.408 176.691 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 551' ' ' ILE . . . . . 0.473 HD12 HD22 ' A' ' 599' ' ' LEU . 14.2 mt -134.26 123.31 43.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 N-CA-C 109.008 -0.738 . . . . 0.37 109.008 173.463 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 552' ' ' LEU . . . . . . . . . . . . . 75.3 mt -111.78 113.6 26.06 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 116.316 -0.402 . . . . 0.45 111.549 -176.399 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 55.6 mtt -107.67 85.75 2.18 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.023 -0.732 . . . . 1.18 109.023 174.547 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp -67.97 -30.34 69.6 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.704 -0.68 . . . . 1.45 111.03 -176.258 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 67.1 p -63.25 -36.04 82.33 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.054 -0.521 . . . . 1.11 111.544 -178.655 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 556' ' ' THR . . . . . 0.4 ' O ' ' HG2' ' A' ' 558' ' ' GLN . 73.6 p -98.62 10.28 41.39 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.723 0.297 . . . . 0.88 111.363 -178.445 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 57.72 42.55 23.47 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.632 -0.713 . . . . 2.35 110.724 -179.675 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 558' ' ' GLN . . . . . 0.4 ' HG2' ' O ' ' A' ' 556' ' ' THR . 12.1 mm100 -135.88 148.7 48.72 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.189 0.519 . . . . 2.07 111.288 -174.661 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 559' ' ' ALA . . . . . 0.467 ' O ' ' HA ' ' A' ' 523' ' ' HIS . . . -132.87 143.83 49.78 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.786 -0.643 . . . . 0.27 109.897 175.427 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 560' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 -124.74 126.48 45.74 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 109.557 -0.534 . . . . 0.33 109.557 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 561' ' ' LEU . . . . . 0.406 HD12 ' HA ' ' A' ' 561' ' ' LEU . 14.4 tp -125.47 130.18 51.28 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.306 -0.406 . . . . 0.22 109.986 -176.452 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 562' ' ' GLU . . . . . 0.548 ' HB2' HD12 ' A' ' 599' ' ' LEU . 37.6 tt0 -100.08 138.14 37.56 Favored 'General case' 0 CA--C 1.515 -0.386 0 CA-C-N 116.416 -0.357 . . . . 1.85 110.42 -176.399 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 563' ' ' MET . . . . . 0.646 ' HA ' ' O ' ' A' ' 546' ' ' LYS . 16.4 mmt -112.55 135.67 52.99 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.063 -0.517 . . . . 0.96 110.805 -175.286 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -60.81 -24.01 65.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.466 -0.788 . . . . 0.36 112.84 -173.735 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -137.02 147.84 46.47 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.594 -0.275 . . . . 1.27 110.399 -177.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 566' ' ' THR . . . . . 0.463 ' N ' ' HA ' ' A' ' 518' ' ' ALA . 15.2 t -58.88 -37.91 77.62 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.343 0.592 . . . . 0.52 110.316 177.542 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -67.21 -34.38 77.36 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.35 -0.841 . . . . 1.91 110.745 175.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 568' ' ' ALA . . . . . . . . . . . . . . . -61.94 -46.73 88.03 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.961 0.41 . . . . 0.28 109.952 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 569' ' ' ALA . . . . . 0.467 ' HA ' ' HG3' ' A' ' 563' ' ' MET . . . -68.55 -46.63 68.98 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.712 -0.677 . . . . 0.19 111.613 -179.605 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 570' ' ' GLN . . . . . 0.449 ' O ' ' HG2' ' A' ' 574' ' ' GLN . 55.1 mt-30 -68.8 -45.97 69.88 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.466 -0.334 . . . . 1.21 111.354 -175.885 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -62.14 -43.33 99.08 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 120.705 0.288 . . . . 0.31 111.38 -176.363 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 572' ' ' MET . . . . . 0.511 ' CB ' ' HB2' ' A' ' 544' ' ' PHE . 19.0 ptp -68.25 -47.21 68.36 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.608 -0.437 . . . . 0.62 110.628 -177.571 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 573' ' ' VAL . . . . . 0.542 HG11 ' HG2' ' A' ' 592' ' ' MET . 91.2 t -67.39 -36.54 76.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.543 0 CA-C-N 116.326 -0.397 . . . . 0.21 111.773 -176.127 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 574' ' ' GLN . . . . . 0.449 ' HG2' ' O ' ' A' ' 570' ' ' GLN . 27.2 mm-40 -58.85 -37.91 77.54 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.577 -0.527 . . . . 1.9 109.577 176.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 66.6 t80 -69.54 -49.66 52.29 Favored 'General case' 0 C--O 1.219 -0.531 0 CA-C-N 115.895 -0.593 . . . . 0.52 111.01 173.073 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 576' ' ' TYR . . . . . 0.44 ' CE1' ' HB2' ' A' ' 572' ' ' MET . 22.2 m-85 -72.82 -16.47 61.61 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 112.935 0.717 . . . . 0.34 112.935 -172.422 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -79.27 -27.53 42.31 Favored 'General case' 0 C--N 1.314 -0.952 0 C-N-CA 120.284 -0.566 . . . . 1.84 110.607 173.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -96.49 -39.21 9.67 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.047 0.451 . . . . 2.07 110.855 178.624 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 42.5 mtpt -130.07 82.83 65.17 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 115.772 -0.649 . . . . 2.07 109.565 173.762 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_exo -68.04 161.75 42.94 Favored 'Trans proline' 0 C--O 1.234 0.278 0 C-N-CA 123.667 2.912 . . . . 0.19 112.224 -176.491 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -90.49 141.34 28.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.002 0.43 . . . . 0.2 110.254 -173.175 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 582' ' ' ILE . . . . . 0.449 HG12 ' HG2' ' A' ' 587' ' ' LYS . 44.6 mt -115.29 123.56 70.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.878 -0.601 . . . . 0.54 111.742 -169.099 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 583' ' ' ILE . . . . . 0.439 HD11 HD11 ' A' ' 540' ' ' LEU . 3.3 mp -121.06 124.25 71.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.946 -0.57 . . . . 0.73 109.982 174.48 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 11.8 m120 60.19 33.9 21.07 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 121.126 0.488 . . . . 1.46 110.861 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 76.86 7.23 86.24 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.779 -0.724 . . . . 0.67 112.141 -179.152 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 586' ' ' GLU . . . . . 0.409 ' O ' ' HA ' ' A' ' 582' ' ' ILE . 45.2 mt-10 -103.24 126.52 50.45 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.776 0.322 . . . . 1.93 110.315 179.749 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 587' ' ' LYS . . . . . 0.449 ' HG2' HG12 ' A' ' 582' ' ' ILE . 98.3 mttt -82.8 115.16 21.58 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.382 -0.372 . . . . 2.12 110.315 179.272 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 588' ' ' LEU . . . . . 0.414 HD13 HD21 ' A' ' 527' ' ' LEU . 41.8 mt -90.13 123.01 33.61 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 109.408 -0.59 . . . . 0.28 109.408 174.31 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 45.9 tp -82.6 108.92 16.34 Favored 'General case' 0 C--N 1.311 -1.079 0 N-CA-C 108.633 -0.877 . . . . 0.38 108.633 174.782 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 590' ' ' ILE . . . . . . . . . . . . . 47.1 mt -94.44 115.32 32.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 N-CA-C 108.119 -1.067 . . . . 0.17 108.119 177.25 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 591' ' ' ARG . . . . . 0.451 ' HA ' HG13 ' A' ' 573' ' ' VAL . 30.6 ptt180 -140.8 153.72 45.93 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.587 0.588 . . . . 3.0 112.587 -170.494 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 592' ' ' MET . . . . . 0.542 ' HG2' HG11 ' A' ' 573' ' ' VAL . 0.8 OUTLIER -73.16 126.84 30.97 Favored 'General case' 0 CA--C 1.528 0.13 0 CA-C-N 115.226 -0.897 . . . . 0.33 110.156 -172.522 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 6.6 t -89.34 131.56 35.36 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.783 0.325 . . . . 1.04 110.501 178.06 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 17.7 p -94.74 -10.64 30.97 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.254 0.549 . . . . 1.6 110.518 176.244 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -82.13 -19.96 38.98 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.514 -0.766 . . . . 2.94 111.689 -176.256 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -125.75 132.26 52.36 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.093 0.473 . . . . 0.93 110.985 -178.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 51.9 tptt -92.42 -39.43 11.44 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.23 -0.895 . . . . 3.4 110.281 178.089 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -156.76 145.27 19.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.232 -0.894 . . . . 2.02 110.162 -175.657 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 599' ' ' LEU . . . . . 0.548 HD12 ' HB2' ' A' ' 562' ' ' GLU . 96.7 mt -93.2 105.89 17.92 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.118 0.485 . . . . 1.02 110.499 176.638 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 88.1 mm-40 -101.91 85.74 2.76 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.976 -0.556 . . . . 2.87 110.678 -179.69 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 76.2 mt -65.23 147.02 54.19 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.542 -0.754 . . . . 1.47 110.042 177.139 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -77.68 75.89 4.22 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.391 0.615 . . . . 5.4 110.081 178.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 3.9 mmtp -101.05 118.8 59.64 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 115.132 -0.94 . . . . 5.81 109.998 -179.115 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 604' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.86 -39.15 85.5 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 123.487 2.791 . . . . 6.24 113.266 -178.59 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 605' ' ' GLY . . . . . . . . . . . . . . . 156.24 137.89 2.43 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.281 -0.961 . . . . 6.9 112.914 178.402 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -134.89 143.07 46.76 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.729 0.3 . . . . 8.87 110.337 178.614 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -122.41 -31.67 3.75 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.282 -0.417 . . . . 9.21 110.734 177.769 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 48.5 t 57.29 -94.2 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 CA-C-N 115.231 -0.895 . . . . 9.63 112.279 176.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -131.04 -55.14 1.05 Allowed 'General case' 0 N--CA 1.45 -0.426 0 CA-C-O 120.597 0.237 . . . . 9.47 111.573 -174.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -130.28 126.27 36.83 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.802 0.334 . . . . 9.11 110.617 -177.312 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 46.5 mm -77.85 70.2 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 121.638 0.733 . . . . 8.31 110.045 -178.289 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 612' ' ' ILE . . . . . . . . . . . . . 57.1 mt -110.23 97.43 5.72 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.631 0 CA-C-N 115.431 -0.804 . . . . 8.86 109.478 177.638 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 -137.88 74.8 1.49 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.149 0.499 . . . . 10.28 109.972 178.21 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -162.56 -47.07 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.574 -0.739 . . . . 10.41 110.573 -179.149 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 615' ' ' ILE . . . . . . . . . . . . . 54.6 mt -66.66 -49.91 70.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.816 -0.629 . . . . 8.61 110.359 -179.242 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 26.6 m-70 51.76 49.01 21.71 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.332 0.586 . . . . 6.75 111.202 177.383 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 32.2 t -139.79 -45.48 0.44 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.718 -0.674 . . . . 6.99 109.293 178.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 618' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -82.57 179.51 7.77 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.538 -0.755 . . . . 9.26 109.895 174.115 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 43.6 mtp180 -80.56 78.08 7.32 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.021 -0.536 . . . . 12.9 110.631 179.267 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 620' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -65.49 147.48 53.35 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.189 -0.459 . . . . 11.34 109.856 179.121 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 9.0 ptp180 . . . . . 0 C--O 1.247 0.966 0 CA-C-O 117.89 -1.053 . . . . 11.46 111.868 -174.338 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.849 0 N-CA-C 112.472 -0.251 . . . . 6.72 112.472 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . -99.97 -47.74 4.91 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.778 0.323 . . . . 5.43 110.993 179.456 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 26.7 ptm -77.72 -17.12 57.94 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-O 121.032 0.444 . . . . 6.23 110.914 -178.513 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -168.96 -163.51 0.43 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.92 -0.582 . . . . 2.28 110.028 -177.247 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 514' ' ' GLN . . . . . . . . . . . . . 4.1 mm100 72.92 -52.78 0.71 Allowed 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.038 0.935 . . . . 5.14 111.612 178.804 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 29.5 mmt85 69.8 -70.35 0.15 Allowed 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 123.549 0.74 . . . . 6.6 111.417 178.349 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -79.89 -38.39 32.71 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.011 0.434 . . . . 5.25 110.931 178.674 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . 96.95 -19.0 56.55 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.602 -0.809 . . . . 3.29 111.475 -175.374 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 518' ' ' ALA . . . . . 0.462 ' O ' ' HB ' ' A' ' 566' ' ' THR . . . -91.48 -9.25 45.15 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.098 0.475 . . . . 2.38 110.121 175.457 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -51.07 149.42 7.27 Favored Glycine 0 C--N 1.33 0.211 0 CA-C-N 115.058 -0.974 . . . . 1.58 112.925 -178.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -127.74 154.9 44.81 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 110.239 -0.282 . . . . 2.39 110.239 -177.196 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 93.0 t -93.23 134.34 31.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 121.18 0.514 . . . . 0.44 109.914 179.247 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 522' ' ' VAL . . . . . . . . . . . . . 67.6 t -105.56 133.95 48.44 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.952 0 CA-C-N 115.461 -0.791 . . . . 0.25 109.366 176.297 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 523' ' ' HIS . . . . . 0.476 ' HA ' ' O ' ' A' ' 559' ' ' ALA . 1.0 OUTLIER -107.52 132.88 52.77 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.735 -0.469 . . . . 1.75 109.735 -179.55 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 524' ' ' ILE . . . . . 0.538 HD12 HG13 ' A' ' 537' ' ' VAL . 77.4 mt -110.28 131.46 61.28 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.857 0 CA-C-N 115.69 -0.686 . . . . 0.28 110.427 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 15.0 p -122.37 176.34 5.93 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.707 -0.679 . . . . 1.28 110.474 -178.188 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 19.5 m120 69.06 26.33 5.63 Favored 'General case' 0 N--CA 1.468 0.454 0 O-C-N 123.76 0.663 . . . . 1.22 110.621 -178.849 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 527' ' ' LEU . . . . . 0.415 ' HA ' ' HD2' ' A' ' 528' ' ' PRO . 79.3 mt -81.36 121.16 79.88 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 115.909 -0.587 . . . . 0.6 111.056 -175.815 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 528' ' ' PRO . . . . . 0.523 ' HD2' ' SG ' ' A' ' 532' ' ' CYS . 36.2 Cg_endo -68.12 131.88 24.75 Favored 'Trans proline' 0 C--O 1.237 0.461 0 C-N-CA 122.287 1.992 . . . . 0.62 111.62 175.595 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -68.4 124.37 23.35 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.895 -0.593 . . . . 2.98 110.93 -177.208 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 84.03 -15.0 40.68 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 121.004 -0.617 . . . . 0.94 113.685 176.03 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 531' ' ' SER . . . . . 0.511 ' HB3' ' OD1' ' A' ' 584' ' ' ASN . 13.1 m -91.2 -35.76 14.33 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 117.324 0.562 . . . . 1.17 111.363 -176.516 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 532' ' ' CYS . . . . . 0.523 ' SG ' ' HD2' ' A' ' 528' ' ' PRO . 86.0 m -86.54 134.32 33.67 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.518 -0.31 . . . . 0.77 110.472 176.828 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 53.4 p -103.62 167.4 9.82 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.538 -0.542 . . . . 0.54 109.538 177.361 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -54.13 -46.34 72.18 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.229 0.537 . . . . 1.32 110.308 -178.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -61.14 -42.98 99.52 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.015 -0.993 . . . . 1.95 111.485 -176.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 536' ' ' ASP . . . . . 0.421 ' HB3' HD13 ' A' ' 583' ' ' ILE . 66.4 m-20 -59.79 -47.4 85.83 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 120.919 0.39 . . . . 0.52 111.59 -175.361 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 537' ' ' VAL . . . . . 0.538 HG13 HD12 ' A' ' 524' ' ' ILE . 51.6 t -62.61 -40.33 87.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.805 -0.634 . . . . 0.25 110.301 -177.715 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 538' ' ' ILE . . . . . 0.401 ' O ' ' HG ' ' A' ' 542' ' ' LEU . 85.8 mt -66.87 -42.29 88.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.632 -0.713 . . . . 0.24 110.343 177.075 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 539' ' ' ASN . . . . . 0.687 ' O ' ' HD3' ' A' ' 543' ' ' PRO . 94.0 m-20 -61.21 -29.21 69.68 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 115.614 -0.721 . . . . 1.07 111.787 -178.798 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 540' ' ' LEU . . . . . 0.483 ' CD1' HD12 ' A' ' 588' ' ' LEU . 27.7 mt -69.0 -36.03 77.36 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.281 0.474 . . . . 0.36 112.281 -176.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -79.4 -33.9 33.88 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.156 -1.021 . . . . 0.22 111.971 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 542' ' ' LEU . . . . . 0.401 ' HG ' ' O ' ' A' ' 538' ' ' ILE . 84.1 mt -53.85 -36.22 38.01 Favored Pre-proline 0 CA--C 1.55 0.963 0 N-CA-C 115.702 1.742 . . . . 0.25 115.702 -174.603 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 543' ' ' PRO . . . . . 0.687 ' HD3' ' O ' ' A' ' 539' ' ' ASN . 89.2 Cg_exo -55.87 -34.1 90.57 Favored 'Trans proline' 0 C--N 1.354 0.849 0 CA-C-N 121.498 1.571 . . . . 0.19 114.587 -176.57 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 544' ' ' PHE . . . . . 0.417 ' HB2' ' CB ' ' A' ' 572' ' ' MET . 70.6 m-85 -111.72 -18.35 12.77 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 113.21 0.819 . . . . 0.35 113.21 177.127 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 545' ' ' GLY . . . . . 0.565 ' CA ' ' HB1' ' A' ' 568' ' ' ALA . . . -134.04 -164.8 10.78 Favored Glycine 0 C--O 1.225 -0.418 0 C-N-CA 120.581 -0.819 . . . . 1.14 113.391 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 546' ' ' LYS . . . . . 0.576 ' O ' ' HA ' ' A' ' 563' ' ' MET . 23.9 tptm -136.7 143.11 43.21 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 110.209 -0.293 . . . . 1.56 110.209 179.286 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 547' ' ' VAL . . . . . 0.515 ' HA ' ' O ' ' A' ' 562' ' ' GLU . 89.7 t -104.91 136.06 40.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 123.4 0.438 . . . . 0.25 111.44 -174.378 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 58.0 p -101.96 -35.26 9.04 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 121.148 0.499 . . . . 0.37 110.841 176.375 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 549' ' ' ASN . . . . . 0.496 ' HB3' ' NZ ' ' A' ' 606' ' ' LYS . 0.0 OUTLIER -165.25 168.1 17.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.815 -0.63 . . . . 1.43 109.887 175.751 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 550' ' ' TYR . . . . . 0.423 ' O ' HD21 ' A' ' 601' ' ' LEU . 22.3 p90 -141.17 151.1 43.57 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.842 0.354 . . . . 0.47 110.82 -175.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 551' ' ' ILE . . . . . 0.445 HD12 HD22 ' A' ' 599' ' ' LEU . 32.9 mt -128.11 120.93 54.76 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 N-CA-C 108.675 -0.861 . . . . 0.37 108.675 171.452 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 552' ' ' LEU . . . . . . . . . . . . . 71.1 mt -111.56 110.77 21.35 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 116.029 -0.532 . . . . 0.45 111.517 -177.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 62.8 mtt -108.16 85.36 2.1 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.512 0.673 . . . . 1.18 109.715 174.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -67.68 -29.99 69.41 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.289 -0.869 . . . . 1.45 110.297 -178.335 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 67.2 p -63.68 -30.95 71.99 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.545 -0.752 . . . . 1.11 111.417 -179.455 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 71.9 p -101.78 8.67 41.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.783 0.325 . . . . 0.88 111.118 178.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 56.66 42.13 27.39 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.422 -0.808 . . . . 2.35 111.104 179.702 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -142.46 149.2 38.92 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.999 0.428 . . . . 2.07 110.591 -176.353 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 559' ' ' ALA . . . . . 0.476 ' O ' ' HA ' ' A' ' 523' ' ' HIS . . . -130.82 143.85 51.03 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.132 -0.486 . . . . 0.27 110.318 177.527 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 560' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 -124.59 126.15 45.32 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.994 0.426 . . . . 0.33 109.851 177.849 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 15.5 tp -123.98 127.21 47.59 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.994 -0.548 . . . . 0.22 109.884 -176.306 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 562' ' ' GLU . . . . . 0.515 ' O ' ' HA ' ' A' ' 547' ' ' VAL . 9.8 tp10 -99.78 138.32 37.03 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-O 120.654 0.264 . . . . 1.85 110.964 -174.193 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 563' ' ' MET . . . . . 0.576 ' HA ' ' O ' ' A' ' 546' ' ' LYS . 19.4 mmt -111.61 139.23 47.23 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.417 0.627 . . . . 0.96 111.535 -173.388 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -68.54 -22.34 64.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.087 -0.961 . . . . 0.36 111.44 -178.315 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -132.55 143.38 49.68 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.829 -0.804 . . . . 1.27 108.829 -179.062 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 566' ' ' THR . . . . . 0.531 ' O ' ' HG3' ' A' ' 570' ' ' GLN . 14.0 t -67.27 -37.98 84.34 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.941 -0.392 . . . . 0.52 109.941 178.497 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -66.51 -32.84 74.45 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-N 115.848 -0.615 . . . . 1.91 110.332 177.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 568' ' ' ALA . . . . . 0.565 ' HB1' ' CA ' ' A' ' 545' ' ' GLY . . . -62.21 -44.57 96.28 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.991 -0.549 . . . . 0.28 109.665 177.288 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -68.41 -46.28 70.39 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.654 -0.703 . . . . 0.19 111.546 178.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 570' ' ' GLN . . . . . 0.531 ' HG3' ' O ' ' A' ' 566' ' ' THR . 73.3 mt-30 -67.51 -46.88 71.59 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.51 -0.314 . . . . 1.21 111.258 -176.848 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -66.28 -39.08 89.16 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 116.424 -0.353 . . . . 0.31 111.43 -175.232 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 572' ' ' MET . . . . . 0.494 ' HG3' ' N ' ' A' ' 573' ' ' VAL . 14.7 ptp -67.59 -45.92 74.1 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 109.902 -0.407 . . . . 0.62 109.902 -179.553 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 573' ' ' VAL . . . . . 0.72 HG13 ' HA ' ' A' ' 591' ' ' ARG . 55.0 t -67.08 -37.5 79.41 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.559 0 CA-C-N 116.188 -0.46 . . . . 0.21 111.549 -177.02 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -59.29 -37.42 77.66 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.608 -0.515 . . . . 1.9 109.608 175.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 575' ' ' TYR . . . . . 0.411 ' HD2' ' CD2' ' A' ' 576' ' ' TYR . 72.6 t80 -69.1 -48.81 61.59 Favored 'General case' 0 C--O 1.216 -0.693 0 CA-C-N 115.906 -0.588 . . . . 0.52 111.276 173.779 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 576' ' ' TYR . . . . . 0.51 ' CB ' ' HB ' ' A' ' 590' ' ' ILE . 19.4 m-85 -75.93 -25.49 56.02 Favored 'General case' 0 C--O 1.222 -0.39 0 N-CA-C 112.873 0.694 . . . . 0.34 112.873 -171.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 2.4 mm100 -70.92 -26.4 63.19 Favored 'General case' 0 C--N 1.318 -0.763 0 O-C-N 121.952 -0.468 . . . . 1.84 110.361 174.706 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -97.41 -39.89 8.96 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.949 -0.569 . . . . 2.07 111.326 178.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -131.86 83.93 55.62 Favored Pre-proline 0 C--N 1.327 -0.41 0 N-CA-C 109.617 -0.512 . . . . 2.07 109.617 176.361 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_exo -73.24 159.74 46.51 Favored 'Trans proline' 0 CA--C 1.533 0.475 0 C-N-CA 123.5 2.8 . . . . 0.19 113.259 -173.036 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -93.68 153.86 18.13 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 115.883 -0.599 . . . . 0.2 111.35 -172.262 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 582' ' ' ILE . . . . . 0.45 HG12 ' HG2' ' A' ' 587' ' ' LYS . 64.0 mt -115.55 128.01 72.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 111.943 0.349 . . . . 0.54 111.943 -174.883 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 583' ' ' ILE . . . . . 0.421 HD13 ' HB3' ' A' ' 536' ' ' ASP . 48.2 mt -123.22 121.4 62.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.185 -0.461 . . . . 0.73 110.36 171.456 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 584' ' ' ASN . . . . . 0.511 ' OD1' ' HB3' ' A' ' 531' ' ' SER . 0.8 OUTLIER 59.38 34.51 22.8 Favored 'General case' 0 N--CA 1.469 0.52 0 O-C-N 123.433 0.458 . . . . 1.46 111.501 176.556 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 85.95 -0.23 87.63 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.915 -0.659 . . . . 0.67 113.156 178.192 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 36.6 mm-40 -102.2 127.28 49.21 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 110.002 -0.37 . . . . 1.93 110.002 179.513 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 587' ' ' LYS . . . . . 0.45 ' HG2' HG12 ' A' ' 582' ' ' ILE . 27.6 mtpp -85.02 107.47 17.15 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.251 -0.648 . . . . 2.12 109.251 177.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 588' ' ' LEU . . . . . 0.483 HD12 ' CD1' ' A' ' 540' ' ' LEU . 47.9 mt -88.06 130.74 34.9 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.849 -0.614 . . . . 0.28 110.584 -175.765 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 49.8 tp -83.98 109.23 17.47 Favored 'General case' 0 N--CA 1.44 -0.957 0 N-CA-C 108.863 -0.792 . . . . 0.38 108.863 173.427 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 590' ' ' ILE . . . . . 0.51 ' HB ' ' CB ' ' A' ' 576' ' ' TYR . 43.1 mt -96.88 115.08 35.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 N-CA-C 108.343 -0.984 . . . . 0.17 108.343 178.336 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 591' ' ' ARG . . . . . 0.72 ' HA ' HG13 ' A' ' 573' ' ' VAL . 10.3 ptm180 -145.6 164.6 31.18 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.978 0.418 . . . . 3.0 111.972 -174.274 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 592' ' ' MET . . . . . 0.53 ' HG2' HG11 ' A' ' 573' ' ' VAL . 0.8 OUTLIER -62.46 143.12 57.48 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.739 -0.664 . . . . 0.33 110.161 -174.838 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 24.6 t -87.65 126.77 35.15 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.764 0.316 . . . . 1.04 110.421 179.499 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 12.5 p -94.63 -22.41 18.18 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.242 0.544 . . . . 1.6 110.246 176.388 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 25.8 mtp180 -79.25 -40.77 29.78 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.527 -0.76 . . . . 2.94 111.017 -178.134 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -116.35 131.53 56.92 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.925 0.393 . . . . 0.93 110.519 178.588 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 597' ' ' LYS . . . . . 0.421 ' N ' ' HD3' ' A' ' 597' ' ' LYS . 0.0 OUTLIER -93.2 -27.12 17.06 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.62 -0.718 . . . . 3.4 110.104 175.788 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 598' ' ' GLU . . . . . 0.487 ' HA ' ' OE2' ' A' ' 562' ' ' GLU . 8.0 pt-20 -154.25 145.04 22.49 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.605 -0.725 . . . . 2.02 109.943 -177.775 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 599' ' ' LEU . . . . . 0.445 HD22 HD12 ' A' ' 551' ' ' ILE . 64.1 mt -92.74 123.55 36.1 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.001 0.429 . . . . 1.02 110.994 178.428 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -114.86 82.37 1.72 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.14 -0.482 . . . . 2.87 110.338 179.488 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 601' ' ' LEU . . . . . 0.423 HD21 ' O ' ' A' ' 550' ' ' TYR . 27.7 mt -63.16 146.84 52.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.327 0.584 . . . . 1.47 111.867 179.713 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 602' ' ' LYS . . . . . 0.593 ' H ' ' HD2' ' A' ' 602' ' ' LYS . 0.0 OUTLIER -79.05 -2.45 40.48 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.265 -0.879 . . . . 5.4 110.821 176.934 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -78.29 119.87 78.98 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 116.081 -0.509 . . . . 5.81 110.505 178.452 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 604' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -80.42 -13.05 12.45 Favored 'Trans proline' 0 N--CA 1.464 -0.256 0 C-N-CA 122.612 2.208 . . . . 6.24 112.421 178.728 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 605' ' ' GLY . . . . . . . . . . . . . . . -107.61 89.07 0.56 Allowed Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.863 -0.684 . . . . 6.9 112.176 -178.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 606' ' ' LYS . . . . . 0.496 ' NZ ' ' HB3' ' A' ' 549' ' ' ASN . 12.1 mmmm -110.26 134.97 51.72 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.63 0.252 . . . . 8.87 110.461 177.011 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -141.44 -47.79 0.39 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.198 -0.455 . . . . 9.21 110.59 176.787 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 60.3 t 68.33 -78.18 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 CA-C-N 115.659 -0.7 . . . . 9.63 110.583 -178.367 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -142.01 -57.79 0.46 Allowed 'General case' 0 N--CA 1.443 -0.793 0 N-CA-C 109.272 -0.64 . . . . 9.47 109.272 174.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 610' ' ' ALA . . . . . 0.532 ' HB3' ' HB2' ' A' ' 620' ' ' GLU . . . -158.57 109.71 2.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.805 -0.634 . . . . 9.11 110.639 175.113 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 55.3 mt -78.91 83.06 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.443 0.64 . . . . 8.31 109.721 177.78 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 612' ' ' ILE . . . . . 0.471 HG22 ' H ' ' A' ' 615' ' ' ILE . 40.1 mt -76.75 101.78 3.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 115.364 -0.834 . . . . 8.86 109.827 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 -86.39 -28.21 23.73 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.387 -0.37 . . . . 10.28 110.933 -176.453 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 43.8 m-20 -66.18 -51.64 55.81 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.119 0.485 . . . . 10.41 110.134 179.664 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 615' ' ' ILE . . . . . 0.471 ' H ' HG22 ' A' ' 612' ' ' ILE . 68.7 mt -116.51 106.5 20.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.684 -0.689 . . . . 8.61 109.779 176.484 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -77.67 64.25 2.92 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.19 0.519 . . . . 6.75 110.382 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 617' ' ' SER . . . . . 0.401 ' O ' ' HB2' ' A' ' 618' ' ' GLN . 11.0 t -173.62 -154.3 0.07 Allowed 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.389 -0.967 . . . . 6.99 108.389 -179.33 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 618' ' ' GLN . . . . . 0.401 ' HB2' ' O ' ' A' ' 617' ' ' SER . 51.5 mt-30 70.01 161.53 0.22 Allowed 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.563 0.697 . . . . 9.26 111.544 -179.8 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 82.2 mtp180 -84.01 100.93 11.38 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.545 -0.752 . . . . 12.9 109.009 173.5 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 620' ' ' GLU . . . . . 0.532 ' HB2' ' HB3' ' A' ' 610' ' ' ALA . 13.4 pt-20 -59.62 138.78 57.62 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.014 -0.539 . . . . 11.34 110.406 -178.769 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 74.9 mtp180 . . . . . 0 C--O 1.245 0.862 0 CA-C-O 118.603 -0.713 . . . . 11.46 111.183 -173.306 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.795 0 N-CA-C 112.188 -0.365 . . . . 6.72 112.188 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . -93.85 93.49 7.97 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.747 0.308 . . . . 5.43 110.487 179.173 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 3.3 mpp? -55.12 -56.67 17.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.821 -0.627 . . . . 6.23 109.915 179.264 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -96.75 179.13 5.08 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 115.644 -0.707 . . . . 2.28 109.713 176.577 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 514' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 70.07 -50.18 0.64 Allowed 'General case' 0 N--CA 1.466 0.356 0 O-C-N 123.739 0.65 . . . . 5.14 111.111 -176.588 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 515' ' ' ARG . . . . . 0.418 ' NE ' ' HA ' ' A' ' 515' ' ' ARG . 2.1 mmp_? 72.57 -55.7 0.67 Allowed 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.801 0.84 . . . . 6.6 111.401 175.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 516' ' ' LYS . . . . . 0.409 ' HG3' ' CD2' ' A' ' 565' ' ' TYR . 2.9 mmmp? -113.82 174.32 5.99 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.977 -0.556 . . . . 5.25 110.043 -179.8 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -78.34 62.68 3.73 Favored Glycine 0 N--CA 1.449 -0.473 0 N-CA-C 111.666 -0.573 . . . . 3.29 111.666 179.079 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 518' ' ' ALA . . . . . 0.474 ' HB1' ' HB ' ' A' ' 566' ' ' THR . . . -151.09 -73.84 0.15 Allowed 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.879 -0.415 . . . . 2.38 109.879 -179.537 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 45.67 68.36 1.03 Allowed Glycine 0 C--N 1.338 0.678 0 O-C-N 123.852 0.72 . . . . 1.58 112.688 177.794 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -103.06 144.72 30.92 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.842 0.354 . . . . 2.39 110.853 -176.047 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 521' ' ' VAL . . . . . 0.463 HG22 ' HG ' ' A' ' 599' ' ' LEU . 97.7 t -96.2 134.57 33.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 115.818 -0.628 . . . . 0.44 111.844 -175.722 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 522' ' ' VAL . . . . . . . . . . . . . 85.0 t -106.15 135.65 43.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 115.008 -0.996 . . . . 0.25 109.699 173.639 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -105.57 126.95 52.73 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.03 0.443 . . . . 1.75 110.088 -177.472 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 524' ' ' ILE . . . . . . . . . . . . . 69.3 mt -105.11 133.66 48.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.756 -0.656 . . . . 0.28 110.416 179.316 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 75.1 m -116.86 175.5 5.55 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.998 -0.546 . . . . 1.28 111.228 -177.799 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 64.8 m-20 70.05 28.68 4.04 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 115.563 -0.744 . . . . 1.22 110.945 177.565 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 527' ' ' LEU . . . . . 0.442 HD21 HD13 ' A' ' 588' ' ' LEU . 81.2 mt -90.59 122.72 66.76 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 115.644 -0.707 . . . . 0.6 111.585 -176.495 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 528' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -68.9 136.18 34.61 Favored 'Trans proline' 0 C--O 1.235 0.362 0 C-N-CA 123.052 2.501 . . . . 0.62 112.391 175.704 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -63.54 124.95 22.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.365 -0.379 . . . . 2.98 111.257 -177.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 76.9 -18.25 4.07 Favored Glycine 0 CA--C 1.52 0.393 0 CA-C-N 116.207 -0.451 . . . . 0.94 114.107 174.244 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 30.5 t -88.2 -11.26 47.26 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 117.192 0.496 . . . . 1.17 110.494 -177.446 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 532' ' ' CYS . . . . . 0.412 ' SG ' ' HB3' ' A' ' 527' ' ' LEU . 60.8 m -85.25 137.16 33.17 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.997 -0.547 . . . . 0.77 110.483 179.083 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 35.0 p -105.96 159.49 16.0 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.59 -0.522 . . . . 0.54 109.59 177.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -63.91 -47.73 79.39 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.083 0.468 . . . . 1.32 110.249 177.467 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -64.82 -44.1 90.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.529 -0.759 . . . . 1.95 112.37 -171.835 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 536' ' ' ASP . . . . . 0.507 ' O ' ' HG ' ' A' ' 540' ' ' LEU . 24.8 m-20 -65.5 -45.62 82.86 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.662 -0.415 . . . . 0.52 111.25 -175.567 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 95.3 t -62.72 -41.79 93.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.276 -0.42 . . . . 0.25 110.892 -178.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 98.9 mt -66.94 -45.96 86.06 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 CA-C-N 116.363 -0.381 . . . . 0.24 110.869 178.526 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 539' ' ' ASN . . . . . 0.596 ' O ' ' HD3' ' A' ' 543' ' ' PRO . 24.3 m-80 -62.98 -26.34 68.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.059 -0.518 . . . . 1.07 112.267 179.192 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 540' ' ' LEU . . . . . 0.554 HD22 ' HB1' ' A' ' 581' ' ' ALA . 22.2 mt -66.78 -36.73 83.1 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 111.799 0.296 . . . . 0.36 111.799 176.714 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -77.58 -42.1 18.52 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.219 -0.991 . . . . 0.22 112.247 -179.398 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 542' ' ' LEU . . . . . 0.582 ' HA ' ' O ' ' A' ' 545' ' ' GLY . 60.4 mt -47.62 -40.65 30.87 Favored Pre-proline 0 CA--C 1.551 1.002 0 N-CA-C 115.815 1.783 . . . . 0.25 115.815 -173.234 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 543' ' ' PRO . . . . . 0.596 ' HD3' ' O ' ' A' ' 539' ' ' ASN . 67.6 Cg_exo -50.21 -35.65 43.79 Favored 'Trans proline' 0 C--N 1.359 1.13 0 C-N-CA 122.035 1.823 . . . . 0.19 115.611 -173.857 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -112.13 -19.39 12.3 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.0 -0.68 . . . . 0.35 112.684 177.484 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 545' ' ' GLY . . . . . 0.607 ' HA2' ' HB1' ' A' ' 568' ' ' ALA . . . -144.87 136.41 6.6 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.447 -0.882 . . . . 1.14 113.369 177.316 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 546' ' ' LYS . . . . . 0.442 ' O ' ' HA ' ' A' ' 563' ' ' MET . 43.5 tttp -72.16 141.99 49.08 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.896 0.379 . . . . 1.56 111.033 -179.001 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 547' ' ' VAL . . . . . 0.401 ' HA ' ' O ' ' A' ' 562' ' ' GLU . 95.5 t -100.71 136.3 32.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.646 -0.707 . . . . 0.25 110.477 -178.6 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 39.6 p -107.06 -38.5 6.0 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.664 -0.698 . . . . 0.37 111.382 179.4 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -155.16 167.06 31.61 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.061 -0.518 . . . . 1.43 110.266 -178.022 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 54.1 p90 -144.97 151.05 38.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.999 0.428 . . . . 0.47 111.711 179.526 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 551' ' ' ILE . . . . . 0.442 HG12 HD21 ' A' ' 601' ' ' LEU . 46.2 mt -127.34 120.72 55.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 108.072 -1.084 . . . . 0.37 108.072 167.269 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 552' ' ' LEU . . . . . . . . . . . . . 83.3 mt -113.98 111.22 21.32 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 116.483 -0.326 . . . . 0.45 111.338 -176.555 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 64.9 mtt -108.01 82.59 1.66 Allowed 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.768 -0.827 . . . . 1.18 108.768 173.558 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -70.01 -32.87 71.27 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.396 -0.82 . . . . 1.45 111.207 -174.734 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 65.5 p -68.8 -27.31 65.75 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.005 -0.543 . . . . 1.11 111.766 -178.792 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 556' ' ' THR . . . . . 0.449 ' O ' ' HG3' ' A' ' 558' ' ' GLN . 78.1 p -103.96 12.45 34.23 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.735 0.302 . . . . 0.88 111.049 -178.681 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 16.5 m120 58.68 42.72 19.9 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 115.688 -0.687 . . . . 2.35 111.928 179.066 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 558' ' ' GLN . . . . . 0.449 ' HG3' ' O ' ' A' ' 556' ' ' THR . 46.1 mt-30 -139.47 148.12 42.28 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.089 0.471 . . . . 2.07 111.386 -176.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -140.72 142.91 34.78 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.699 -0.482 . . . . 0.27 109.699 172.397 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 560' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 -127.32 125.3 40.57 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 108.8 -0.815 . . . . 0.33 108.8 177.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 561' ' ' LEU . . . . . 0.514 ' HB3' ' HE1' ' A' ' 563' ' ' MET . 15.0 tp -122.21 135.7 54.8 Favored 'General case' 0 C--N 1.313 -0.996 0 N-CA-C 109.218 -0.66 . . . . 0.22 109.218 -173.71 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 562' ' ' GLU . . . . . 0.541 ' HB2' HD12 ' A' ' 599' ' ' LEU . 33.2 tt0 -100.22 127.73 46.43 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.989 0.423 . . . . 1.85 110.608 -176.272 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 563' ' ' MET . . . . . 0.757 ' HG2' ' SD ' ' A' ' 572' ' ' MET . 0.6 OUTLIER -104.94 134.24 48.39 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.488 -0.778 . . . . 0.96 110.429 -179.492 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -63.78 -31.97 73.32 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.045 -0.979 . . . . 0.36 111.998 -174.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 565' ' ' TYR . . . . . 0.409 ' CD2' ' HG3' ' A' ' 516' ' ' LYS . 26.6 m-85 -124.56 133.86 53.16 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.107 -0.497 . . . . 1.27 109.777 -171.749 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 566' ' ' THR . . . . . 0.474 ' HB ' ' HB1' ' A' ' 518' ' ' ALA . 3.7 t -61.61 -37.48 84.1 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.833 -0.621 . . . . 0.52 110.646 178.872 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -66.95 -33.93 76.65 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-O 120.92 0.391 . . . . 1.91 110.137 176.817 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 568' ' ' ALA . . . . . 0.607 ' HB1' ' HA2' ' A' ' 545' ' ' GLY . . . -65.35 -46.65 79.38 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.77 -0.65 . . . . 0.28 109.994 178.009 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 569' ' ' ALA . . . . . 0.834 ' HA ' ' SD ' ' A' ' 572' ' ' MET . . . -67.0 -45.7 76.78 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.602 -0.726 . . . . 0.19 111.747 -176.705 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 570' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -68.1 -43.85 77.54 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.186 -0.461 . . . . 1.21 111.141 -176.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -69.05 -43.28 74.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.4 -0.364 . . . . 0.31 111.818 -177.787 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 572' ' ' MET . . . . . 0.834 ' SD ' ' HA ' ' A' ' 569' ' ' ALA . 6.7 ptm -59.73 -44.56 93.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.953 0.406 . . . . 0.62 110.517 -176.108 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 573' ' ' VAL . . . . . 0.471 HG21 ' HE3' ' A' ' 592' ' ' MET . 61.0 t -66.97 -36.36 76.96 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.698 0 CA-C-N 115.976 -0.557 . . . . 0.21 111.008 -178.386 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -59.36 -36.74 76.3 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.887 -0.325 . . . . 1.9 110.213 177.078 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 79.2 t80 -68.02 -49.72 59.76 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.307 -0.406 . . . . 0.52 110.921 172.676 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 576' ' ' TYR . . . . . 0.416 ' CB ' ' HB ' ' A' ' 590' ' ' ILE . 24.5 m-85 -73.64 -16.3 61.23 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.537 0.569 . . . . 0.34 112.537 -173.772 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 80.9 mm-40 -79.47 -27.0 41.56 Favored 'General case' 0 C--N 1.317 -0.837 0 O-C-N 122.134 -0.354 . . . . 1.84 110.859 174.786 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -97.06 -39.73 9.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.244 0.545 . . . . 2.07 111.065 177.172 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -130.36 80.22 70.9 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 115.633 -0.712 . . . . 2.07 109.486 177.781 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 14.4 Cg_exo -70.92 159.09 53.64 Favored 'Trans proline' 0 C--O 1.233 0.259 0 C-N-CA 123.555 2.837 . . . . 0.19 113.255 -172.81 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 581' ' ' ALA . . . . . 0.554 ' HB1' HD22 ' A' ' 540' ' ' LEU . . . -93.93 154.48 17.67 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.616 -0.72 . . . . 0.2 110.819 -174.849 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 64.5 mt -119.86 137.52 53.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 112.02 0.378 . . . . 0.54 112.02 -171.7 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 583' ' ' ILE . . . . . 0.514 ' CG1' HD11 ' A' ' 588' ' ' LEU . 29.4 mm -121.97 117.77 53.44 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.216 0 CA-C-N 116.223 -0.444 . . . . 0.73 110.309 172.153 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 57.4 37.24 27.85 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 120.795 0.331 . . . . 1.46 111.515 175.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 84.07 0.73 89.68 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.517 -0.849 . . . . 0.67 112.818 179.547 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -101.03 126.11 47.69 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.591 -0.522 . . . . 1.93 109.591 179.29 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 27.3 mtpp -83.29 107.47 15.84 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.128 0.49 . . . . 2.12 110.228 -177.563 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 588' ' ' LEU . . . . . 0.514 HD11 ' CG1' ' A' ' 583' ' ' ILE . 31.8 mt -84.29 139.46 32.3 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.702 -0.681 . . . . 0.28 110.611 -176.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 31.3 tp -95.36 110.08 22.15 Favored 'General case' 0 C--N 1.31 -1.12 0 N-CA-C 108.692 -0.855 . . . . 0.38 108.692 171.783 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 590' ' ' ILE . . . . . 0.416 ' HB ' ' CB ' ' A' ' 576' ' ' TYR . 38.0 mt -95.96 115.26 34.69 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 N-CA-C 108.139 -1.06 . . . . 0.17 108.139 178.186 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 591' ' ' ARG . . . . . 0.443 ' HA ' HG13 ' A' ' 573' ' ' VAL . 13.6 ptm180 -135.53 160.25 39.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.018 0.437 . . . . 3.0 111.786 -170.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 592' ' ' MET . . . . . 0.471 ' HE3' HG21 ' A' ' 573' ' ' VAL . 0.2 OUTLIER -64.47 126.76 28.85 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.128 -0.693 . . . . 0.33 109.128 177.611 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 32.9 t -75.04 127.0 32.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.074 0.464 . . . . 1.04 111.062 -174.094 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 13.3 t -98.53 4.05 48.18 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.68 -0.691 . . . . 1.6 109.671 175.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 35.2 mmt180 -103.78 -39.36 6.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.834 -0.621 . . . . 2.94 110.873 -177.379 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 65.2 m-85 -124.8 135.4 52.91 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.342 -0.39 . . . . 0.93 110.695 -177.161 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -89.85 -41.43 11.82 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.231 -0.655 . . . . 3.4 109.231 172.38 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -143.45 155.59 44.41 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.049 -0.978 . . . . 2.02 109.218 176.487 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 599' ' ' LEU . . . . . 0.541 HD12 ' HB2' ' A' ' 562' ' ' GLU . 93.4 mt -92.67 109.37 20.78 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.11 0.481 . . . . 1.02 110.548 -179.196 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -94.02 71.76 4.01 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.412 0.625 . . . . 2.87 110.431 -179.657 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 601' ' ' LEU . . . . . 0.442 HD21 HG12 ' A' ' 551' ' ' ILE . 97.8 mt -67.63 143.71 55.89 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.257 -0.883 . . . . 1.47 110.484 177.747 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.38 -3.32 45.79 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.394 0.616 . . . . 5.4 110.132 176.659 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt -79.61 129.19 72.26 Favored Pre-proline 0 C--N 1.327 -0.407 0 N-CA-C 108.85 -0.796 . . . . 5.81 108.85 171.333 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 604' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_endo -73.87 58.63 4.11 Favored 'Trans proline' 0 CA--C 1.533 0.448 0 C-N-CA 122.976 2.451 . . . . 6.24 113.999 -172.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 605' ' ' GLY . . . . . . . . . . . . . . . 60.61 63.23 5.16 Favored Glycine 0 N--CA 1.452 -0.236 0 CA-C-N 116.27 -0.423 . . . . 6.9 113.119 174.784 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 35.8 mmtp -106.87 12.23 29.13 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.663 0.268 . . . . 8.87 110.591 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 10.7 m120 61.55 -149.37 0.4 Allowed 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.877 -0.602 . . . . 9.21 110.519 178.238 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 59.0 t -81.61 -83.27 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.553 -0.294 . . . . 9.63 110.439 177.426 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -138.93 10.98 2.63 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-O 121.101 0.477 . . . . 9.47 110.589 176.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -159.14 167.25 29.63 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.808 -0.633 . . . . 9.11 109.83 -178.017 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 50.3 mm -79.29 93.52 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 109.564 -0.532 . . . . 8.31 109.564 176.578 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 612' ' ' ILE . . . . . . . . . . . . . 59.2 mt -118.0 78.7 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.601 -0.727 . . . . 8.86 109.322 178.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -139.03 -19.53 0.99 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.712 -0.676 . . . . 10.28 111.635 -171.246 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -77.71 -65.21 0.99 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.614 -0.266 . . . . 10.41 111.465 -173.3 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 615' ' ' ILE . . . . . . . . . . . . . 29.5 mt -77.48 138.67 20.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 109.6 -0.519 . . . . 8.61 109.6 -176.297 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 86.3 m-70 -81.81 -32.41 31.29 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.309 0.485 . . . . 6.75 112.309 -166.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 5.3 t -117.04 -1.89 11.83 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.251 -0.58 . . . . 6.99 112.236 -174.319 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 618' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -90.42 154.78 19.41 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 121.24 0.543 . . . . 9.26 111.529 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 91.5 mtt180 -90.86 27.05 1.9 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.416 -0.811 . . . . 12.9 110.039 -179.141 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 620' ' ' GLU . . . . . 0.421 ' O ' ' HB2' ' A' ' 621' ' ' ARG . 37.4 tt0 -165.62 148.86 7.87 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.223 -0.899 . . . . 11.34 108.813 -174.62 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 621' ' ' ARG . . . . . 0.617 ' NE ' ' HA ' ' A' ' 621' ' ' ARG . 2.7 mmp_? . . . . . 0 C--O 1.248 1.009 0 O-C-N 124.001 0.813 . . . . 11.46 111.586 -179.629 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.607 0 N-CA-C 112.029 -0.428 . . . . 6.72 112.029 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . -80.59 133.01 35.71 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.773 0.321 . . . . 5.43 110.824 -177.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -154.89 -179.22 7.83 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 108.873 -0.788 . . . . 6.23 108.873 177.061 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 513' ' ' ALA . . . . . 0.426 ' CB ' ' HB ' ' A' ' 548' ' ' THR . . . -85.57 -152.56 0.16 Allowed 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 116.753 -0.203 . . . . 2.28 110.887 -178.832 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 514' ' ' GLN . . . . . . . . . . . . . 9.6 mm100 60.57 91.51 0.05 Allowed 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 121.281 0.562 . . . . 5.14 110.595 -179.246 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 515' ' ' ARG . . . . . 0.519 ' NE ' ' HA ' ' A' ' 515' ' ' ARG . 4.3 mmp_? -84.39 -44.98 13.2 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.91 -0.586 . . . . 6.6 111.055 -174.556 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -99.24 157.33 16.46 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.459 -0.337 . . . . 5.25 110.101 177.338 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -77.8 58.39 3.86 Favored Glycine 0 N--CA 1.452 -0.255 0 CA-C-N 116.193 -0.458 . . . . 3.29 113.115 -175.011 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 518' ' ' ALA . . . . . . . . . . . . . . . -157.11 -86.51 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.665 0.269 . . . . 2.38 110.874 179.16 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 75.95 145.73 1.62 Allowed Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.898 -0.668 . . . . 1.58 111.808 -176.273 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 520' ' ' ARG . . . . . 0.43 ' HA ' ' O ' ' A' ' 597' ' ' LYS . 79.0 mtt180 -145.84 143.23 29.5 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.681 0.277 . . . . 2.39 110.555 177.752 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 521' ' ' VAL . . . . . 0.428 ' HB ' ' O ' ' A' ' 596' ' ' TYR . 78.3 t -96.4 135.18 31.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.851 -0.613 . . . . 0.44 110.814 178.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 522' ' ' VAL . . . . . . . . . . . . . 49.4 t -101.96 135.42 38.88 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-N 115.447 -0.797 . . . . 0.25 109.495 175.78 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 20.3 t-80 -105.35 116.67 32.34 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.048 0.451 . . . . 1.75 110.544 -176.755 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 524' ' ' ILE . . . . . 0.481 HD12 HG13 ' A' ' 537' ' ' VAL . 73.6 mt -108.64 123.73 64.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 115.483 -0.78 . . . . 0.28 109.773 177.808 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 525' ' ' CYS . . . . . 0.428 ' SG ' ' HG2' ' A' ' 558' ' ' GLN . 23.7 t -121.22 176.32 5.67 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.207 -0.451 . . . . 1.28 110.075 -177.611 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 68.1 30.81 5.7 Favored 'General case' 0 C--N 1.331 -0.229 0 O-C-N 123.775 0.672 . . . . 1.22 110.599 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 527' ' ' LEU . . . . . 0.433 HD21 HD13 ' A' ' 588' ' ' LEU . 87.4 mt -86.34 120.24 72.07 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 116.086 -0.506 . . . . 0.6 110.763 -178.306 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 528' ' ' PRO . . . . . 0.527 ' HD2' ' SG ' ' A' ' 532' ' ' CYS . 37.3 Cg_endo -69.74 130.45 19.39 Favored 'Trans proline' 0 C--O 1.237 0.453 0 C-N-CA 122.019 1.813 . . . . 0.62 111.766 175.344 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.57 139.34 53.7 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.178 -0.465 . . . . 2.98 110.797 177.799 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 82.17 -18.7 12.41 Favored Glycine 0 N--CA 1.449 -0.462 0 CA-C-N 115.795 -0.639 . . . . 0.94 113.262 177.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 17.2 m -99.6 -38.32 8.79 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 117.181 0.49 . . . . 1.17 110.676 179.038 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 532' ' ' CYS . . . . . 0.527 ' SG ' ' HD2' ' A' ' 528' ' ' PRO . 71.6 m -89.17 126.26 35.4 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.283 -0.417 . . . . 0.77 110.556 174.427 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 39.2 p -105.9 170.88 7.65 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.702 -0.481 . . . . 0.54 109.702 176.367 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 534' ' ' GLU . . . . . 0.519 ' HG2' ' CD1' ' A' ' 552' ' ' LEU . 34.1 mt-10 -53.07 -46.38 68.56 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.096 0.474 . . . . 1.32 110.468 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -62.98 -42.65 99.9 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.176 -0.92 . . . . 1.95 111.986 -174.337 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 536' ' ' ASP . . . . . 0.567 ' O ' ' HG ' ' A' ' 540' ' ' LEU . 48.2 m-20 -59.65 -46.06 90.15 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 120.845 0.355 . . . . 0.52 111.126 -175.411 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 537' ' ' VAL . . . . . 0.481 HG13 HD12 ' A' ' 524' ' ' ILE . 60.7 t -61.89 -42.78 95.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.812 -0.631 . . . . 0.25 110.183 -178.18 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 538' ' ' ILE . . . . . 0.444 ' O ' ' HG ' ' A' ' 542' ' ' LEU . 85.1 mt -66.1 -45.63 89.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.758 -0.655 . . . . 0.24 110.588 178.119 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -61.23 -28.37 69.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.611 -0.722 . . . . 1.07 111.85 -178.072 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 540' ' ' LEU . . . . . 0.567 ' HG ' ' O ' ' A' ' 536' ' ' ASP . 52.9 mt -73.84 -33.38 64.09 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 111.612 0.227 . . . . 0.36 111.612 179.125 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -78.9 -40.4 17.34 Favored Glycine 0 N--CA 1.453 -0.173 0 C-N-CA 120.366 -0.921 . . . . 0.22 112.565 -177.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 542' ' ' LEU . . . . . 0.591 ' HA ' ' O ' ' A' ' 545' ' ' GLY . 87.7 mt -47.65 -46.29 60.5 Favored Pre-proline 0 CA--C 1.546 0.81 0 N-CA-C 114.706 1.372 . . . . 0.25 114.706 -174.504 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -46.9 -34.48 16.33 Favored 'Trans proline' 0 C--N 1.361 1.186 0 C-N-CA 122.612 2.208 . . . . 0.19 115.59 -172.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 544' ' ' PHE . . . . . 0.513 ' HB2' ' CB ' ' A' ' 572' ' ' MET . 74.1 m-85 -111.83 -18.15 12.77 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.158 -0.617 . . . . 0.35 112.633 175.141 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 545' ' ' GLY . . . . . 0.591 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . -150.45 133.98 4.57 Favored Glycine 0 C--O 1.225 -0.435 0 C-N-CA 120.65 -0.786 . . . . 1.14 113.243 179.02 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -70.56 137.97 50.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.976 0.417 . . . . 1.56 111.386 179.376 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 91.1 t -94.69 136.27 26.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.276 -0.875 . . . . 0.25 110.89 -177.741 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 548' ' ' THR . . . . . 0.426 ' HB ' ' CB ' ' A' ' 513' ' ' ALA . 33.6 p -104.99 -42.06 5.43 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.043 -0.526 . . . . 0.37 112.133 178.181 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 67.6 m-80 -149.48 165.79 31.09 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.699 -0.482 . . . . 1.43 109.699 -177.719 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 33.3 p90 -148.96 149.48 31.25 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.11 0.481 . . . . 0.47 111.082 178.427 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 551' ' ' ILE . . . . . 0.471 HD12 HD22 ' A' ' 599' ' ' LEU . 15.7 mt -128.96 124.54 61.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 109.021 -0.733 . . . . 0.37 109.021 173.703 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 552' ' ' LEU . . . . . 0.519 ' CD1' ' HG2' ' A' ' 534' ' ' GLU . 85.1 mt -110.32 111.01 22.03 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 116.283 -0.417 . . . . 0.45 111.245 -176.282 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 65.1 mtt -107.58 84.31 1.94 Allowed 'General case' 0 N--CA 1.446 -0.64 0 CA-C-O 121.876 0.846 . . . . 1.18 108.741 173.778 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 30.1 mmtp -67.79 -29.2 68.33 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.488 -1.233 . . . . 1.45 110.508 -176.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 66.0 p -55.41 -32.46 62.68 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.519 -0.764 . . . . 1.11 111.049 176.792 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 556' ' ' THR . . . . . 0.501 ' O ' ' HG3' ' A' ' 558' ' ' GLN . 71.2 p -104.83 4.41 32.12 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.332 -0.394 . . . . 0.88 111.307 -179.313 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 18.2 m120 57.11 41.31 27.48 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 115.492 -0.776 . . . . 2.35 111.147 -176.136 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 558' ' ' GLN . . . . . 0.501 ' HG3' ' O ' ' A' ' 556' ' ' THR . 75.2 mt-30 -139.48 149.88 44.5 Favored 'General case' 0 N--CA 1.443 -0.819 0 CA-C-O 121.122 0.486 . . . . 2.07 111.184 -175.026 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -130.68 145.94 52.04 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.732 -0.667 . . . . 0.27 110.534 178.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 560' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 -116.45 125.25 51.72 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 109.037 -0.727 . . . . 0.33 109.037 175.475 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 14.8 tp -122.55 121.76 37.28 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 116.226 -0.443 . . . . 0.22 109.877 -173.315 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 562' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -99.64 137.82 37.59 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.732 0.301 . . . . 1.85 110.624 -174.605 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 563' ' ' MET . . . . . . . . . . . . . 17.5 mmt -113.75 145.02 42.0 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.929 -0.578 . . . . 0.96 111.266 -174.436 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -64.78 -21.57 66.8 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.029 -0.987 . . . . 0.36 112.179 -176.159 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 565' ' ' TYR . . . . . 0.489 ' OH ' ' HB3' ' A' ' 616' ' ' HIS . 34.2 m-85 -134.23 145.03 48.78 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.057 -0.519 . . . . 1.27 110.371 -176.559 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 5.9 t -63.11 -36.99 85.45 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.458 -0.792 . . . . 0.52 109.988 174.441 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -66.87 -37.49 84.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.085 -0.507 . . . . 1.91 111.021 175.608 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 568' ' ' ALA . . . . . 0.549 ' HB1' ' CA ' ' A' ' 545' ' ' GLY . . . -61.8 -46.09 91.03 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.063 -0.517 . . . . 0.28 110.404 -177.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 569' ' ' ALA . . . . . 0.461 ' HB1' ' HE1' ' A' ' 592' ' ' MET . . . -67.98 -45.81 73.11 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.627 -0.715 . . . . 0.19 111.56 -179.446 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 570' ' ' GLN . . . . . 0.504 ' O ' ' HG2' ' A' ' 574' ' ' GLN . 49.9 mt-30 -68.16 -45.84 72.41 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.476 -0.329 . . . . 1.21 111.541 -177.19 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -62.34 -42.96 99.81 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.66 -0.246 . . . . 0.31 111.223 -176.58 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 572' ' ' MET . . . . . 0.513 ' CB ' ' HB2' ' A' ' 544' ' ' PHE . 14.4 ptp -64.49 -45.15 88.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.39 -0.368 . . . . 0.62 110.23 -179.577 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 573' ' ' VAL . . . . . 0.736 HG13 ' HA ' ' A' ' 591' ' ' ARG . 61.6 t -66.91 -37.82 80.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 116.108 -0.497 . . . . 0.21 111.555 -176.816 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 574' ' ' GLN . . . . . 0.504 ' HG2' ' O ' ' A' ' 570' ' ' GLN . 83.4 mm-40 -59.44 -37.17 77.43 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.606 -0.516 . . . . 1.9 109.606 177.569 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 59.3 t80 -69.41 -50.14 48.7 Favored 'General case' 0 C--O 1.219 -0.521 0 CA-C-N 116.113 -0.494 . . . . 0.52 111.041 173.654 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 576' ' ' TYR . . . . . 0.457 ' CB ' ' HB ' ' A' ' 590' ' ' ILE . 19.8 m-85 -74.26 -16.76 60.94 Favored 'General case' 0 C--O 1.222 -0.378 0 N-CA-C 113.001 0.741 . . . . 0.34 113.001 -171.762 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 90.8 mt-30 -75.79 -28.92 58.57 Favored 'General case' 0 C--N 1.317 -0.822 0 C-N-CA 120.042 -0.663 . . . . 1.84 110.756 173.629 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -97.62 -38.31 9.58 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.041 0.448 . . . . 2.07 111.236 177.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 26.8 mmmt -129.47 81.46 69.9 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-O 121.265 0.555 . . . . 2.07 110.167 174.453 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -69.71 159.4 53.58 Favored 'Trans proline' 0 C--O 1.235 0.341 0 C-N-CA 123.532 2.822 . . . . 0.19 112.632 -176.228 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -92.76 147.6 22.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.972 -0.558 . . . . 0.2 110.553 -175.608 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 582' ' ' ILE . . . . . 0.422 HG12 ' HG2' ' A' ' 587' ' ' LYS . 54.3 mt -116.19 131.76 67.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 116.115 -0.493 . . . . 0.54 111.556 -170.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 583' ' ' ILE . . . . . 0.454 HD12 HD11 ' A' ' 588' ' ' LEU . 47.5 mt -121.23 117.33 52.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.149 -0.478 . . . . 0.73 110.131 172.482 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 13.5 m120 54.98 42.27 31.19 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.864 -0.607 . . . . 1.46 111.798 176.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 84.86 -2.64 88.09 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.708 -0.758 . . . . 0.67 113.205 176.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 -101.13 125.64 47.76 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.698 -0.482 . . . . 1.93 109.698 179.361 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 587' ' ' LYS . . . . . 0.422 ' HG2' HG12 ' A' ' 582' ' ' ILE . 53.3 mtpt -86.48 110.13 19.55 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.779 -0.452 . . . . 2.12 109.779 179.534 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 588' ' ' LEU . . . . . 0.454 HD11 HD12 ' A' ' 583' ' ' ILE . 41.0 mt -84.9 125.44 32.64 Favored 'General case' 0 CA--C 1.504 -0.812 0 N-CA-C 109.706 -0.479 . . . . 0.28 109.706 179.579 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 55.8 tp -82.33 107.86 15.32 Favored 'General case' 0 N--CA 1.434 -1.24 0 N-CA-C 107.768 -1.197 . . . . 0.38 107.768 172.087 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 590' ' ' ILE . . . . . 0.457 ' HB ' ' CB ' ' A' ' 576' ' ' TYR . 64.9 mt -95.42 115.07 33.45 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.908 0 N-CA-C 108.081 -1.081 . . . . 0.17 108.081 179.018 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 591' ' ' ARG . . . . . 0.736 ' HA ' HG13 ' A' ' 573' ' ' VAL . 14.8 ptt180 -141.95 162.24 35.98 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.022 0.439 . . . . 3.0 112.029 -171.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 592' ' ' MET . . . . . 0.617 ' HG2' HG11 ' A' ' 573' ' ' VAL . 0.1 OUTLIER -65.93 132.84 49.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.72 -0.673 . . . . 0.33 110.283 -176.804 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 32.1 t -80.93 127.11 32.2 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.022 0.439 . . . . 1.04 110.55 -178.427 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 8.8 t -97.63 5.7 49.03 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.53 0.681 . . . . 1.6 109.547 174.649 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 92.0 mtt180 -96.63 -41.15 8.66 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.639 -0.709 . . . . 2.94 110.165 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 596' ' ' TYR . . . . . 0.428 ' O ' ' HB ' ' A' ' 521' ' ' VAL . 33.4 m-85 -131.93 134.47 45.69 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.078 -0.51 . . . . 0.93 110.304 179.601 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 597' ' ' LYS . . . . . 0.43 ' O ' ' HA ' ' A' ' 520' ' ' ARG . 18.8 ptpt -90.54 -27.21 19.32 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.355 -0.609 . . . . 3.4 109.355 172.293 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -149.44 150.92 33.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.385 -0.825 . . . . 2.02 109.893 177.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 599' ' ' LEU . . . . . 0.471 HD22 HD12 ' A' ' 551' ' ' ILE . 96.1 mt -93.26 145.28 24.56 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.096 -0.502 . . . . 1.02 109.877 179.755 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -121.49 78.18 1.41 Allowed 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.193 0.521 . . . . 2.87 109.933 178.271 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 54.2 mt -74.66 143.28 44.34 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.578 -0.737 . . . . 1.47 110.929 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 26.7 tptp -86.76 -6.93 58.68 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 108.687 -0.857 . . . . 5.4 108.687 175.103 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -123.34 101.9 37.21 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 114.988 -1.005 . . . . 5.81 109.919 177.47 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 604' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -72.59 89.67 0.83 Allowed 'Trans proline' 0 N--CA 1.462 -0.352 0 C-N-CA 122.454 2.103 . . . . 6.24 112.072 -179.658 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 605' ' ' GLY . . . . . . . . . . . . . . . -85.09 42.43 3.15 Favored Glycine 0 N--CA 1.449 -0.438 0 CA-C-N 115.922 -0.581 . . . . 6.9 112.917 -177.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 606' ' ' LYS . . . . . 0.434 ' HD3' ' HA ' ' A' ' 606' ' ' LYS . 39.5 mmtm -140.29 51.72 1.67 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.321 0.581 . . . . 8.87 110.475 176.064 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -134.59 17.8 3.61 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.31 -0.859 . . . . 9.21 110.141 177.158 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 61.6 t -126.96 -54.71 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.854 -0.612 . . . . 9.63 111.14 -178.202 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -100.69 106.34 17.78 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 111.899 0.333 . . . . 9.47 111.899 -173.839 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . 61.24 94.17 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.214 -0.903 . . . . 9.11 112.516 175.827 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 37.1 mm -101.46 93.11 2.66 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 CA-C-N 115.438 -0.801 . . . . 8.31 109.515 179.291 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 612' ' ' ILE . . . . . 0.418 HD13 ' HA ' ' A' ' 617' ' ' SER . 46.2 mt -98.64 86.35 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.942 -0.572 . . . . 8.86 111.105 -174.141 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 64.8 mt-30 -95.3 -25.4 16.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.299 -0.41 . . . . 10.28 110.022 174.803 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -56.61 -47.47 79.57 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 115.684 -0.689 . . . . 10.41 110.764 -178.675 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 615' ' ' ILE . . . . . 0.546 HD11 ' O ' ' A' ' 618' ' ' GLN . 0.2 OUTLIER -138.85 -157.66 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.527 -0.76 . . . . 8.61 109.093 -179.303 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 616' ' ' HIS . . . . . 0.489 ' HB3' ' OH ' ' A' ' 565' ' ' TYR . 51.6 m80 -82.71 -65.01 1.06 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 117.72 0.236 . . . . 6.75 110.77 -179.722 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 617' ' ' SER . . . . . 0.418 ' HA ' HD13 ' A' ' 612' ' ' ILE . 52.7 p -158.85 61.83 0.42 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.035 0.445 . . . . 6.99 111.645 179.634 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 618' ' ' GLN . . . . . 0.546 ' O ' HD11 ' A' ' 615' ' ' ILE . 72.9 mt-30 -132.46 141.76 48.95 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.844 -0.428 . . . . 9.26 109.844 177.056 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 53.02 74.28 0.31 Allowed 'General case' 0 C--O 1.236 0.389 0 O-C-N 123.584 0.553 . . . . 12.9 110.758 178.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 620' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -84.8 -178.29 6.81 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.167 -0.47 . . . . 11.34 111.265 -175.749 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 78.6 mtp180 . . . . . 0 C--O 1.249 1.074 0 CA-C-N 115.493 -0.776 . . . . 11.46 110.796 179.117 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 510' ' ' GLY . . . . . 0.485 ' HA3' ' O ' ' A' ' 603' ' ' LYS . . . . . . . . 0 N--CA 1.481 1.634 0 N-CA-C 111.887 -0.485 . . . . 6.72 111.887 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 511' ' ' ALA . . . . . 0.466 ' HB3' ' H ' ' A' ' 606' ' ' LYS . . . -93.24 89.7 6.52 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.144 0.497 . . . . 5.43 111.172 -177.466 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 24.1 ttt -137.9 24.57 2.82 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.728 0.775 . . . . 6.23 109.303 175.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 513' ' ' ALA . . . . . 0.575 ' HB2' ' ND2' ' A' ' 549' ' ' ASN . . . -159.39 131.43 6.46 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.274 -0.875 . . . . 2.28 110.158 -179.658 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 514' ' ' GLN . . . . . 0.486 ' C ' ' H ' ' A' ' 516' ' ' LYS . 78.5 mm-40 -89.36 -24.74 21.88 Favored 'General case' 0 CA--C 1.512 -0.496 0 N-CA-C 109.426 -0.583 . . . . 5.14 109.426 174.393 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 515' ' ' ARG . . . . . 0.425 ' HB2' ' O ' ' A' ' 514' ' ' GLN . 62.4 mtm180 75.81 -24.96 0.21 Allowed 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 114.97 -1.014 . . . . 6.6 111.229 -178.121 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 516' ' ' LYS . . . . . 0.509 ' HB2' ' O ' ' A' ' 564' ' ' ALA . 41.7 mmtm 71.58 39.59 0.87 Allowed 'General case' 0 CA--C 1.513 -0.457 0 CA-C-N 114.9 -1.045 . . . . 5.25 109.269 178.675 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . 72.0 17.37 77.03 Favored Glycine 0 N--CA 1.445 -0.751 0 CA-C-N 114.954 -1.021 . . . . 3.29 112.085 -177.405 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 518' ' ' ALA . . . . . . . . . . . . . . . -152.5 -89.3 0.06 Allowed 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 111.824 0.305 . . . . 2.38 111.824 -178.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 81.72 115.87 0.42 Allowed Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.954 -0.641 . . . . 1.58 112.149 -176.101 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 57.8 mtt-85 -138.81 151.73 47.28 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.69 0.281 . . . . 2.39 110.454 177.364 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 521' ' ' VAL . . . . . 0.425 HG22 ' HG ' ' A' ' 599' ' ' LEU . 94.7 t -117.22 133.33 64.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 121.375 0.607 . . . . 0.44 111.086 -179.232 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 522' ' ' VAL . . . . . . . . . . . . . 96.8 t -106.85 134.72 47.68 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 CA-C-N 115.352 -0.84 . . . . 0.25 109.452 174.279 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 523' ' ' HIS . . . . . 0.525 ' HA ' ' O ' ' A' ' 559' ' ' ALA . 5.8 p-80 -110.14 134.26 52.38 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.259 0.552 . . . . 1.75 110.101 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 524' ' ' ILE . . . . . 0.521 HD12 HG13 ' A' ' 537' ' ' VAL . 97.2 mt -111.06 137.05 45.18 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-N 115.59 -0.732 . . . . 0.28 110.779 -176.154 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 62.3 m -117.8 175.13 5.8 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.016 -0.538 . . . . 1.28 111.234 -175.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 17.5 m120 68.87 26.29 5.92 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.31 -0.859 . . . . 1.22 111.098 176.55 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 527' ' ' LEU . . . . . 0.444 HD21 HD13 ' A' ' 588' ' ' LEU . 79.2 mt -87.9 119.42 70.49 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 116.152 -0.476 . . . . 0.6 111.423 -176.648 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 528' ' ' PRO . . . . . 0.504 ' HD2' ' SG ' ' A' ' 532' ' ' CYS . 36.7 Cg_endo -69.69 130.09 18.8 Favored 'Trans proline' 0 N--CA 1.46 -0.499 0 C-N-CA 121.7 1.6 . . . . 0.62 111.453 172.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -69.71 139.17 53.38 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.172 -0.467 . . . . 2.98 111.031 177.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 80.47 -17.95 9.5 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 121.019 -0.61 . . . . 0.94 113.647 175.392 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 14.0 t -98.72 -34.23 10.61 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.936 0.398 . . . . 1.17 110.698 -178.139 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 532' ' ' CYS . . . . . 0.504 ' SG ' ' HD2' ' A' ' 528' ' ' PRO . 59.3 m -80.35 142.09 34.78 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.35 -0.386 . . . . 0.77 110.217 178.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 52.7 p -105.42 165.91 10.8 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.862 -0.422 . . . . 0.54 109.862 176.544 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -62.93 -36.89 84.9 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.066 0.46 . . . . 1.32 109.785 177.822 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -62.33 -44.13 97.22 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.472 -0.786 . . . . 1.95 111.865 179.634 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 536' ' ' ASP . . . . . 0.538 ' O ' ' HG ' ' A' ' 540' ' ' LEU . 65.2 m-20 -61.53 -48.08 82.67 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 120.773 0.321 . . . . 0.52 111.489 -173.534 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 537' ' ' VAL . . . . . 0.521 HG13 HD12 ' A' ' 524' ' ' ILE . 86.1 t -65.0 -42.14 93.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.992 -0.549 . . . . 0.25 110.967 -176.047 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 83.2 mt -66.17 -43.75 91.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 121.23 0.538 . . . . 0.24 110.123 177.778 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 539' ' ' ASN . . . . . 0.467 ' O ' ' HD3' ' A' ' 543' ' ' PRO . 76.4 m-20 -62.71 -26.14 68.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.485 -0.779 . . . . 1.07 112.11 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 540' ' ' LEU . . . . . 0.538 ' HG ' ' O ' ' A' ' 536' ' ' ASP . 29.8 mt -69.91 -39.55 76.12 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.902 -0.319 . . . . 0.36 111.655 177.039 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -77.14 -41.14 22.74 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.306 -0.949 . . . . 0.22 112.449 -177.128 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 542' ' ' LEU . . . . . 0.512 ' HA ' ' O ' ' A' ' 545' ' ' GLY . 69.4 mt -48.36 -44.5 64.33 Favored Pre-proline 0 CA--C 1.549 0.906 0 N-CA-C 115.114 1.524 . . . . 0.25 115.114 -173.443 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 543' ' ' PRO . . . . . 0.467 ' HD3' ' O ' ' A' ' 539' ' ' ASN . 75.8 Cg_exo -51.16 -34.47 48.24 Favored 'Trans proline' 0 C--N 1.359 1.103 0 C-N-CA 122.558 2.172 . . . . 0.19 115.77 -173.017 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 544' ' ' PHE . . . . . 0.487 ' HB2' ' CB ' ' A' ' 572' ' ' MET . 96.1 m-85 -111.1 -18.41 13.02 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.038 -0.665 . . . . 0.35 112.379 177.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 545' ' ' GLY . . . . . 0.523 ' CA ' ' HB1' ' A' ' 568' ' ' ALA . . . -148.81 136.99 6.1 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.779 -0.724 . . . . 1.14 112.952 178.032 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 546' ' ' LYS . . . . . 0.41 ' O ' ' HA ' ' A' ' 563' ' ' MET . 23.6 tptm -69.09 143.36 54.22 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.744 0.307 . . . . 1.56 111.143 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 88.9 t -105.07 135.22 44.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.83 -0.623 . . . . 0.25 110.907 -179.102 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 28.4 p -104.69 -40.24 6.06 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.982 -0.554 . . . . 0.37 112.046 178.295 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 549' ' ' ASN . . . . . 0.575 ' ND2' ' HB2' ' A' ' 513' ' ' ALA . 67.6 m-80 -150.1 167.06 27.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.379 -0.373 . . . . 1.43 110.144 -178.064 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 38.9 p90 -148.82 150.48 33.1 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.883 0.373 . . . . 0.47 111.152 179.4 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 551' ' ' ILE . . . . . 0.433 HD12 HD22 ' A' ' 599' ' ' LEU . 29.2 mt -134.24 121.49 37.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 108.596 -0.89 . . . . 0.37 108.596 170.838 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 552' ' ' LEU . . . . . . . . . . . . . 83.0 mt -112.55 110.07 20.01 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 116.332 -0.395 . . . . 0.45 111.608 -174.413 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 63.8 mtt -109.72 82.41 1.59 Allowed 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.891 -0.781 . . . . 1.18 108.891 171.784 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 40.2 mttp -69.69 -30.69 68.4 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.425 -0.807 . . . . 1.45 110.903 -171.783 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 64.5 p -65.21 -22.57 66.91 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.796 -0.638 . . . . 1.11 111.602 -179.223 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 66.4 p -99.48 9.97 42.25 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 111.802 0.297 . . . . 0.88 111.802 178.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 56.87 41.79 27.41 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 121.507 0.67 . . . . 2.35 110.19 -178.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 21.4 mm-40 -146.69 149.37 33.32 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.91 -0.586 . . . . 2.07 110.425 -175.31 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 559' ' ' ALA . . . . . 0.525 ' O ' ' HA ' ' A' ' 523' ' ' HIS . . . -139.39 143.93 37.92 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 116.175 -0.466 . . . . 0.27 109.95 174.237 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 560' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -118.5 125.79 50.63 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 109.468 -0.567 . . . . 0.33 109.468 178.251 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 561' ' ' LEU . . . . . 0.502 ' HB3' ' HE1' ' A' ' 563' ' ' MET . 15.8 tp -125.75 131.21 52.56 Favored 'General case' 0 C--N 1.314 -0.952 0 N-CA-C 109.322 -0.621 . . . . 0.22 109.322 -175.748 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 562' ' ' GLU . . . . . 0.425 ' HB2' HD12 ' A' ' 599' ' ' LEU . 42.4 tt0 -100.48 134.08 43.96 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.887 0.375 . . . . 1.85 110.453 -176.519 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 563' ' ' MET . . . . . 0.613 ' HE2' ' SD ' ' A' ' 572' ' ' MET . 1.1 mpt? -109.55 139.61 44.35 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 121.505 0.669 . . . . 0.96 110.95 -177.829 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 564' ' ' ALA . . . . . 0.509 ' O ' ' HB2' ' A' ' 516' ' ' LYS . . . -60.97 -41.18 95.88 Favored 'General case' 0 C--O 1.22 -0.458 0 CA-C-N 114.139 -1.391 . . . . 0.36 111.93 -175.208 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 66.1 m-85 -115.22 147.13 40.73 Favored 'General case' 0 C--N 1.317 -0.827 0 C-N-CA 120.818 -0.353 . . . . 1.27 110.478 -175.706 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 6.2 t -58.39 -39.23 79.09 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.872 -0.604 . . . . 0.52 110.636 176.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -67.54 -33.61 75.4 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-N 116.091 -0.504 . . . . 1.91 111.198 177.172 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 568' ' ' ALA . . . . . 0.523 ' HB1' ' CA ' ' A' ' 545' ' ' GLY . . . -62.17 -46.05 90.68 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.206 -0.452 . . . . 0.28 110.764 -175.503 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 569' ' ' ALA . . . . . 0.494 ' HB2' ' HB2' ' A' ' 563' ' ' MET . . . -68.31 -47.23 68.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.19 111.584 -178.9 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 570' ' ' GLN . . . . . 0.571 ' O ' ' HG2' ' A' ' 574' ' ' GLN . 48.7 mt-30 -69.35 -45.65 68.91 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.139 -0.482 . . . . 1.21 111.588 -175.127 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -62.25 -44.14 97.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.341 -0.39 . . . . 0.31 111.431 -176.406 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 572' ' ' MET . . . . . 0.613 ' SD ' ' HE2' ' A' ' 563' ' ' MET . 14.0 ptp -63.37 -44.46 94.73 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.848 0.356 . . . . 0.62 110.463 -178.454 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 573' ' ' VAL . . . . . 0.635 HG13 ' HA ' ' A' ' 591' ' ' ARG . 70.0 t -67.27 -37.61 79.42 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.58 0 CA-C-N 116.313 -0.403 . . . . 0.21 111.762 -175.601 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 574' ' ' GLN . . . . . 0.571 ' HG2' ' O ' ' A' ' 570' ' ' GLN . 23.8 mm-40 -60.21 -35.84 76.32 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.401 -0.592 . . . . 1.9 109.401 178.02 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -67.7 -50.04 59.58 Favored 'General case' 0 C--O 1.217 -0.638 0 CA-C-N 115.736 -0.666 . . . . 0.52 110.607 172.421 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 576' ' ' TYR . . . . . 0.497 ' CB ' ' HB ' ' A' ' 590' ' ' ILE . 29.7 m-85 -74.14 -16.56 61.0 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 113.038 0.755 . . . . 0.34 113.038 -173.146 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -75.3 -30.3 60.33 Favored 'General case' 0 C--N 1.317 -0.806 0 O-C-N 121.905 -0.497 . . . . 1.84 110.546 174.74 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 -97.83 -39.31 9.08 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.117 0.484 . . . . 2.07 110.731 178.013 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 26.6 mtpp -128.65 82.47 68.59 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 115.674 -0.693 . . . . 2.07 109.932 176.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -70.49 160.16 50.45 Favored 'Trans proline' 0 CA--C 1.532 0.39 0 C-N-CA 123.599 2.866 . . . . 0.19 112.696 -176.178 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 581' ' ' ALA . . . . . 0.454 ' HB1' HD22 ' A' ' 540' ' ' LEU . . . -92.51 153.27 19.18 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.203 -0.453 . . . . 0.2 110.803 -173.685 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 67.2 mt -112.67 127.84 69.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 112.648 0.61 . . . . 0.54 112.648 -170.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 583' ' ' ILE . . . . . 0.495 HD12 HD11 ' A' ' 588' ' ' LEU . 17.9 mt -123.64 129.68 74.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.552 -0.749 . . . . 0.73 110.303 171.154 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 13.8 m120 59.11 33.84 23.05 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 116.032 -0.531 . . . . 1.46 111.093 177.785 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 76.82 8.83 86.65 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.885 -0.674 . . . . 0.67 112.906 179.646 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -117.36 130.87 56.79 Favored 'General case' 0 N--CA 1.441 -0.881 0 CA-C-O 120.859 0.362 . . . . 1.93 110.682 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -75.62 119.82 20.18 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.058 -0.519 . . . . 2.12 110.54 178.644 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 588' ' ' LEU . . . . . 0.495 HD11 HD12 ' A' ' 583' ' ' ILE . 52.6 mt -93.72 135.63 34.83 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.992 -0.549 . . . . 0.28 110.004 178.391 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 28.3 tp -84.73 108.91 17.67 Favored 'General case' 0 C--N 1.313 -1.006 0 N-CA-C 109.126 -0.694 . . . . 0.38 109.126 175.623 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 590' ' ' ILE . . . . . 0.497 ' HB ' ' CB ' ' A' ' 576' ' ' TYR . 44.5 mt -97.56 115.97 38.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 108.444 -0.947 . . . . 0.17 108.444 179.092 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 591' ' ' ARG . . . . . 0.635 ' HA ' HG13 ' A' ' 573' ' ' VAL . 20.1 ptt180 -140.89 160.36 40.23 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.862 0.69 . . . . 3.0 112.862 -172.823 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 592' ' ' MET . . . . . 0.578 ' HG2' HG11 ' A' ' 573' ' ' VAL . 0.1 OUTLIER -63.39 135.03 56.7 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.399 -0.818 . . . . 0.33 110.384 -175.275 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 15.7 t -88.25 128.39 35.47 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.92 0.39 . . . . 1.04 110.568 178.039 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 7.1 m -98.63 -20.94 16.71 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.895 -0.593 . . . . 1.6 109.701 175.191 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -74.45 -34.39 63.17 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 115.533 -0.758 . . . . 2.94 111.121 -177.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -120.49 134.1 55.32 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.992 0.425 . . . . 0.93 110.714 176.506 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -90.5 -39.87 12.33 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.75 -0.659 . . . . 3.4 109.309 173.577 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -147.44 149.86 33.52 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.031 -0.986 . . . . 2.02 109.21 178.705 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 599' ' ' LEU . . . . . 0.433 HD22 HD12 ' A' ' 551' ' ' ILE . 94.0 mt -93.81 104.03 16.13 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.26 0.553 . . . . 1.02 110.334 179.677 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -98.67 89.81 4.5 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 115.474 -0.785 . . . . 2.87 109.91 -178.091 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 81.6 mt -65.55 157.56 29.4 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.287 -0.869 . . . . 1.47 110.178 -179.461 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 602' ' ' LYS . . . . . 0.413 ' HD2' ' N ' ' A' ' 602' ' ' LYS . 11.9 mptt -86.98 32.27 0.68 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.665 0.745 . . . . 5.4 110.741 -176.215 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 603' ' ' LYS . . . . . 0.485 ' O ' ' HA3' ' A' ' 510' ' ' GLY . 31.8 mmmt -104.65 115.23 63.06 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-N 114.752 -1.113 . . . . 5.81 108.506 175.047 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 604' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 603' ' ' LYS . 18.0 Cg_endo -57.43 -40.7 79.22 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 123.275 2.65 . . . . 6.24 113.269 -173.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 605' ' ' GLY . . . . . . . . . . . . . . . 61.73 -113.2 5.49 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 121.091 -0.576 . . . . 6.9 112.396 179.777 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 606' ' ' LYS . . . . . 0.466 ' H ' ' HB3' ' A' ' 511' ' ' ALA . 34.8 mmtp 70.45 -60.35 0.5 Allowed 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.647 0.779 . . . . 8.87 111.529 178.149 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -65.77 -28.04 68.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.135 0.493 . . . . 9.21 110.27 178.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 38.3 t -88.94 -75.01 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.573 -0.739 . . . . 9.63 109.912 176.857 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -96.9 113.11 24.63 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.761 -0.654 . . . . 9.47 110.071 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -76.62 137.58 39.56 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.71 -0.677 . . . . 9.11 110.573 178.634 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 611' ' ' ILE . . . . . 0.437 HD11 ' HB2' ' A' ' 511' ' ' ALA . 40.1 mm -61.76 96.35 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.8 -0.636 . . . . 8.31 110.767 177.039 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 612' ' ' ILE . . . . . . . . . . . . . 65.5 mt -113.74 101.2 12.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 109.283 -0.636 . . . . 8.86 109.283 176.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -96.4 -32.09 12.52 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.102 -0.499 . . . . 10.28 112.099 -173.308 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -79.57 -53.6 6.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.024 0.44 . . . . 10.41 110.671 -178.315 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 615' ' ' ILE . . . . . . . . . . . . . 38.9 mt -90.79 157.06 2.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.639 -0.71 . . . . 8.61 109.844 -177.051 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 616' ' ' HIS . . . . . 0.434 ' HB2' ' OE1' ' A' ' 618' ' ' GLN . 0.8 OUTLIER -68.08 -76.41 0.09 Allowed 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 121.039 -0.264 . . . . 6.75 110.506 -179.474 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 47.0 m -157.11 6.58 0.16 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.49 -0.323 . . . . 6.99 111.036 175.822 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 618' ' ' GLN . . . . . 0.434 ' OE1' ' HB2' ' A' ' 616' ' ' HIS . 22.6 mp0 -64.11 -67.56 0.42 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.727 0.299 . . . . 9.26 110.876 -177.089 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 91.5 mtt180 -83.31 75.38 9.97 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.067 0.461 . . . . 12.9 109.977 179.343 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 620' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -70.73 145.21 50.63 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.72 -0.673 . . . . 11.34 110.254 179.702 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 621' ' ' ARG . . . . . 0.483 ' HE ' ' HA ' ' A' ' 621' ' ' ARG . 1.5 mmp_? . . . . . 0 C--O 1.247 0.943 0 CA-C-O 118.483 -0.77 . . . . 11.46 110.09 -177.301 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.736 0 N-CA-C 111.662 -0.575 . . . . 6.72 111.662 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . -133.73 123.98 25.87 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.841 0.353 . . . . 5.43 110.856 -179.118 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 66.3 mtt -103.75 -59.14 1.77 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.163 0.506 . . . . 6.23 109.706 176.751 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 513' ' ' ALA . . . . . 0.41 ' HB1' ' HB ' ' A' ' 548' ' ' THR . . . -157.57 -165.92 1.89 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.54 -0.755 . . . . 2.28 109.981 179.744 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 514' ' ' GLN . . . . . 0.436 ' H ' HG21 ' A' ' 548' ' ' THR . 49.1 mt-30 55.59 75.7 0.31 Allowed 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 121.392 0.615 . . . . 5.14 109.599 -177.574 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 34.7 mmt180 -70.22 -41.16 73.97 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.0 -1.0 . . . . 6.6 111.895 -170.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 50.9 mtpt -103.99 146.38 28.78 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.297 -0.41 . . . . 5.25 110.538 177.478 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -77.69 61.52 3.63 Favored Glycine 0 N--CA 1.452 -0.276 0 CA-C-N 115.947 -0.57 . . . . 3.29 112.681 -175.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 518' ' ' ALA . . . . . . . . . . . . . . . -158.76 -86.53 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.651 -0.5 . . . . 2.38 109.651 179.018 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 71.72 155.83 2.35 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 121.269 -0.491 . . . . 1.58 113.235 176.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 59.0 mtp180 -146.63 149.17 32.98 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.365 -0.606 . . . . 2.39 109.365 174.12 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 76.6 t -98.11 136.05 30.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 121.026 0.441 . . . . 0.44 110.056 178.099 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 522' ' ' VAL . . . . . 0.442 HG22 ' HE3' ' A' ' 592' ' ' MET . 48.1 t -101.61 134.05 43.19 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.047 0 N-CA-C 109.136 -0.69 . . . . 0.25 109.136 177.138 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 3.7 p-80 -111.26 139.58 46.53 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 120.545 -0.462 . . . . 1.75 109.801 -178.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 524' ' ' ILE . . . . . 0.521 HD12 HG13 ' A' ' 537' ' ' VAL . 90.2 mt -115.59 127.84 73.03 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.976 0 CA-C-N 115.775 -0.648 . . . . 0.28 110.178 -179.817 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 6.3 p -115.9 175.27 5.61 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.716 -0.675 . . . . 1.28 110.366 -178.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 40.2 m-80 69.17 27.97 5.08 Favored 'General case' 0 N--CA 1.466 0.367 0 O-C-N 123.707 0.629 . . . . 1.22 110.796 -178.807 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 527' ' ' LEU . . . . . 0.409 HD21 HD13 ' A' ' 588' ' ' LEU . 80.4 mt -86.71 122.15 71.72 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 115.997 -0.547 . . . . 0.6 111.437 -177.083 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 528' ' ' PRO . . . . . 0.43 ' HD2' ' SG ' ' A' ' 532' ' ' CYS . 40.9 Cg_endo -69.38 130.75 20.37 Favored 'Trans proline' 0 N--CA 1.46 -0.481 0 C-N-CA 122.195 1.93 . . . . 0.62 112.093 173.543 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 529' ' ' GLU . . . . . 0.458 ' HG3' ' ND2' ' A' ' 557' ' ' ASN . 35.9 mt-10 -68.62 125.59 27.01 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.047 -0.524 . . . . 2.98 111.028 176.657 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 92.32 -18.37 54.61 Favored Glycine 0 N--CA 1.45 -0.415 0 CA-C-N 116.02 -0.536 . . . . 0.94 113.619 174.722 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 17.4 m -94.84 -35.34 12.11 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 117.42 0.61 . . . . 1.17 111.329 -177.2 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 532' ' ' CYS . . . . . 0.43 ' SG ' ' HD2' ' A' ' 528' ' ' PRO . 84.5 m -86.03 133.3 33.91 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.727 0.299 . . . . 0.77 110.827 179.026 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 44.0 p -105.66 170.54 7.83 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 109.844 -0.428 . . . . 0.54 109.844 176.749 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -56.41 -46.62 80.09 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.892 0.377 . . . . 1.32 110.457 179.385 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -59.8 -44.06 94.16 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.646 -0.706 . . . . 1.95 111.622 -176.629 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 536' ' ' ASP . . . . . 0.578 ' O ' ' HG ' ' A' ' 540' ' ' LEU . 39.8 m-20 -60.05 -47.61 85.13 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-O 120.789 0.328 . . . . 0.52 110.967 -176.17 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 537' ' ' VAL . . . . . 0.521 HG13 HD12 ' A' ' 524' ' ' ILE . 60.1 t -66.56 -45.01 89.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.677 -0.692 . . . . 0.25 110.857 -176.225 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 85.6 mt -65.29 -41.97 92.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.156 -0.475 . . . . 0.24 110.67 179.101 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 539' ' ' ASN . . . . . 0.538 ' O ' ' HD3' ' A' ' 543' ' ' PRO . 85.9 m-20 -62.57 -28.01 69.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.903 -0.59 . . . . 1.07 111.752 179.473 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 540' ' ' LEU . . . . . 0.578 ' HG ' ' O ' ' A' ' 536' ' ' ASP . 25.2 mt -68.31 -39.4 82.04 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 111.991 0.367 . . . . 0.36 111.991 -179.43 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -78.45 -35.13 33.88 Favored Glycine 0 N--CA 1.453 -0.197 0 C-N-CA 120.288 -0.958 . . . . 0.22 112.579 -177.253 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 542' ' ' LEU . . . . . . . . . . . . . 39.8 mt -50.36 -47.73 82.47 Favored Pre-proline 0 CA--C 1.548 0.882 0 N-CA-C 115.352 1.612 . . . . 0.25 115.352 -174.098 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 543' ' ' PRO . . . . . 0.538 ' HD3' ' O ' ' A' ' 539' ' ' ASN . 86.0 Cg_exo -51.11 -33.18 42.49 Favored 'Trans proline' 0 C--N 1.357 0.986 0 C-N-CA 122.463 2.109 . . . . 0.19 116.555 -168.671 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 59.4 m-85 -109.2 -18.27 13.66 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 118.878 0.763 . . . . 0.35 112.878 -179.164 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 545' ' ' GLY . . . . . 0.478 ' HA3' ' HE2' ' A' ' 572' ' ' MET . . . -125.04 -142.34 5.84 Favored Glycine 0 C--N 1.318 -0.443 0 C-N-CA 121.207 -0.52 . . . . 1.14 112.657 176.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 546' ' ' LYS . . . . . 0.423 ' O ' ' HA ' ' A' ' 563' ' ' MET . 56.0 tptt -152.77 129.85 11.12 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.624 -0.288 . . . . 1.56 110.475 174.106 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 95.4 t -91.61 135.01 28.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.978 -0.556 . . . . 0.25 111.706 -176.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 548' ' ' THR . . . . . 0.436 HG21 ' H ' ' A' ' 514' ' ' GLN . 27.6 p -108.91 -41.03 4.85 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.954 -0.566 . . . . 0.37 112.289 175.468 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 66.5 m-80 -148.0 166.33 28.04 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.767 -0.457 . . . . 1.43 109.767 -177.156 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 28.1 p90 -148.44 150.82 34.15 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.935 0.398 . . . . 0.47 111.408 -179.053 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 551' ' ' ILE . . . . . 0.483 HD12 HD22 ' A' ' 599' ' ' LEU . 29.1 mt -134.23 121.85 38.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 108.784 -0.821 . . . . 0.37 108.784 171.053 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 552' ' ' LEU . . . . . . . . . . . . . 79.8 mt -112.95 110.38 20.41 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.226 -0.443 . . . . 0.45 111.396 -175.434 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 65.2 mtt -107.37 83.22 1.78 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.598 0.713 . . . . 1.18 109.105 175.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -69.97 -29.66 66.83 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.102 -0.954 . . . . 1.45 110.735 -177.409 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 67.8 p -59.4 -27.13 65.73 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.204 -0.453 . . . . 1.11 111.37 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 556' ' ' THR . . . . . 0.481 ' O ' ' HG2' ' A' ' 558' ' ' GLN . 69.9 p -106.65 11.63 30.19 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.471 -0.331 . . . . 0.88 111.129 178.81 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 557' ' ' ASN . . . . . 0.458 ' ND2' ' HG3' ' A' ' 529' ' ' GLU . 15.8 m120 57.04 41.34 27.66 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 115.743 -0.662 . . . . 2.35 110.898 -177.542 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 558' ' ' GLN . . . . . 0.481 ' HG2' ' O ' ' A' ' 556' ' ' THR . 12.5 mm100 -137.1 157.05 47.57 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.168 0.509 . . . . 2.07 111.625 -172.367 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -143.67 145.6 32.57 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.976 -0.556 . . . . 0.27 110.647 176.802 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 560' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -128.41 128.29 44.19 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.847 -0.615 . . . . 0.33 109.418 178.149 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 14.2 tp -126.33 128.49 47.17 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.34 -0.391 . . . . 0.22 110.278 -173.547 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 562' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -99.87 138.0 37.56 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-O 120.735 0.303 . . . . 1.85 110.435 -175.172 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 563' ' ' MET . . . . . 0.423 ' HA ' ' O ' ' A' ' 546' ' ' LYS . 19.8 mmt -114.24 144.33 43.39 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.963 -0.562 . . . . 0.96 111.261 -174.571 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -64.42 -26.75 68.59 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-N 115.139 -0.937 . . . . 0.36 111.735 -177.408 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 565' ' ' TYR . . . . . 0.447 ' HB3' ' OE2' ' A' ' 567' ' ' GLU . 75.0 m-85 -132.41 138.49 47.69 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.547 -0.752 . . . . 1.27 109.095 -177.87 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 566' ' ' THR . . . . . 0.56 ' O ' ' HG3' ' A' ' 570' ' ' GLN . 7.1 t -66.03 -37.48 85.98 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.042 -0.526 . . . . 0.52 109.785 179.066 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 567' ' ' GLU . . . . . 0.447 ' OE2' ' HB3' ' A' ' 565' ' ' TYR . 1.4 pm0 -66.88 -33.02 74.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.115 -0.493 . . . . 1.91 110.643 176.3 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 568' ' ' ALA . . . . . 0.411 ' HB2' ' HB2' ' A' ' 565' ' ' TYR . . . -64.03 -42.49 97.06 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.089 0.471 . . . . 0.28 109.886 176.703 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -67.44 -45.76 75.1 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.667 -0.697 . . . . 0.19 111.029 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 570' ' ' GLN . . . . . 0.56 ' HG3' ' O ' ' A' ' 566' ' ' THR . 72.0 mt-30 -65.29 -45.61 83.72 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.306 -0.406 . . . . 1.21 110.789 -178.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -62.3 -45.58 92.6 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-N 116.029 -0.532 . . . . 0.31 111.617 -176.041 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 572' ' ' MET . . . . . 0.478 ' HE2' ' HA3' ' A' ' 545' ' ' GLY . 17.7 ptp -63.42 -42.78 98.72 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.067 0.461 . . . . 0.62 109.996 -178.726 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 573' ' ' VAL . . . . . 0.721 HG13 ' HA ' ' A' ' 591' ' ' ARG . 54.0 t -66.57 -35.95 76.1 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.763 0 CA-C-N 115.607 -0.724 . . . . 0.21 111.294 -178.05 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 574' ' ' GLN . . . . . 0.541 ' HG3' ' O ' ' A' ' 570' ' ' GLN . 80.5 mt-30 -58.57 -37.98 76.89 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.557 -0.534 . . . . 1.9 109.557 177.872 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 575' ' ' TYR . . . . . 0.473 ' HD2' ' CD2' ' A' ' 576' ' ' TYR . 89.7 t80 -69.55 -50.24 46.74 Favored 'General case' 0 C--O 1.221 -0.439 0 CA-C-N 116.051 -0.522 . . . . 0.52 111.201 173.462 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 576' ' ' TYR . . . . . 0.54 ' CB ' ' HB ' ' A' ' 590' ' ' ILE . 21.5 m-85 -73.67 -17.38 61.15 Favored 'General case' 0 N--CA 1.467 0.375 0 N-CA-C 112.729 0.64 . . . . 0.34 112.729 -171.692 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -77.23 -29.85 54.28 Favored 'General case' 0 C--N 1.318 -0.764 0 C-N-CA 120.577 -0.449 . . . . 1.84 110.913 174.506 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -96.76 -39.21 9.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.933 0.397 . . . . 2.07 111.094 179.282 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -130.47 78.06 74.85 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-N 115.925 -0.579 . . . . 2.07 109.862 178.695 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_exo -69.83 160.45 49.65 Favored 'Trans proline' 0 CA--C 1.532 0.399 0 C-N-CA 123.886 3.057 . . . . 0.19 113.249 -172.809 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 581' ' ' ALA . . . . . 0.477 ' HB1' HD22 ' A' ' 540' ' ' LEU . . . -93.27 153.3 18.66 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.819 -0.628 . . . . 0.2 111.064 -173.786 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 582' ' ' ILE . . . . . 0.444 HG12 ' HG2' ' A' ' 587' ' ' LYS . 57.2 mt -114.5 132.76 62.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.058 0.456 . . . . 0.54 112.223 -171.546 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 583' ' ' ILE . . . . . 0.415 HD12 HD11 ' A' ' 588' ' ' LEU . 30.5 mt -126.27 120.66 57.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 115.919 -0.582 . . . . 0.73 110.262 172.545 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 59.29 35.13 23.24 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 116.125 -0.489 . . . . 1.46 111.302 177.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 83.13 3.34 90.34 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.802 -0.714 . . . . 0.67 113.027 178.151 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -107.47 127.01 53.22 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.922 0.391 . . . . 1.93 110.44 179.614 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 587' ' ' LYS . . . . . 0.444 ' HG2' HG12 ' A' ' 582' ' ' ILE . 52.9 mtmt -81.32 107.58 14.22 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.9 -0.591 . . . . 2.12 109.897 -179.018 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 588' ' ' LEU . . . . . 0.415 HD11 HD12 ' A' ' 583' ' ' ILE . 65.5 mt -86.89 129.98 34.65 Favored 'General case' 0 CA--C 1.507 -0.709 0 CA-C-N 115.887 -0.597 . . . . 0.28 110.594 -177.586 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 39.8 tp -83.5 109.14 17.13 Favored 'General case' 0 C--N 1.311 -1.072 0 N-CA-C 109.024 -0.732 . . . . 0.38 109.024 174.03 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 590' ' ' ILE . . . . . 0.54 ' HB ' ' CB ' ' A' ' 576' ' ' TYR . 44.9 mt -96.74 115.09 35.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 107.894 -1.15 . . . . 0.17 107.894 177.519 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 591' ' ' ARG . . . . . 0.721 ' HA ' HG13 ' A' ' 573' ' ' VAL . 8.1 ptp180 -146.02 165.69 28.28 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 112.668 0.618 . . . . 3.0 112.668 -174.592 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 592' ' ' MET . . . . . 0.599 ' HG2' HG11 ' A' ' 573' ' ' VAL . 0.1 OUTLIER -62.53 140.83 58.64 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.176 -0.92 . . . . 0.33 110.42 -175.555 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 86.0 p -83.26 128.88 34.87 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.641 -0.424 . . . . 1.04 110.086 176.114 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 6.8 p -95.56 31.89 1.92 Allowed 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.278 0.561 . . . . 1.6 110.095 175.018 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -137.47 -40.65 0.57 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.565 -0.743 . . . . 2.94 110.957 -176.298 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 83.3 m-85 -110.16 135.22 51.29 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.963 0.411 . . . . 0.93 111.521 -173.76 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 18.2 tppt? -90.3 -40.9 11.85 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.045 -0.724 . . . . 3.4 109.045 169.501 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -152.41 156.09 38.83 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.216 -0.902 . . . . 2.02 109.471 178.094 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 599' ' ' LEU . . . . . 0.483 HD22 HD12 ' A' ' 551' ' ' ILE . 97.1 mt -92.56 108.54 20.05 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.196 0.522 . . . . 1.02 110.588 -178.387 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -80.45 79.64 7.02 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.656 -0.702 . . . . 2.87 111.396 -175.019 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 68.8 mt -88.23 147.98 24.58 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.865 -0.607 . . . . 1.47 110.335 175.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 602' ' ' LYS . . . . . 0.434 ' HD2' ' HG3' ' A' ' 603' ' ' LYS . 0.0 OUTLIER -95.7 5.53 51.19 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.61 0.719 . . . . 5.4 109.226 172.97 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 603' ' ' LYS . . . . . 0.434 ' HG3' ' HD2' ' A' ' 602' ' ' LYS . 28.6 mtpp -120.53 116.21 32.1 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 114.777 -1.102 . . . . 5.81 109.376 174.014 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 604' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_exo -59.36 103.95 0.2 Allowed 'Trans proline' 0 C--O 1.234 0.301 0 C-N-CA 122.238 1.958 . . . . 6.24 111.07 174.178 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 605' ' ' GLY . . . . . . . . . . . . . . . -56.14 -53.76 40.35 Favored Glycine 0 C--N 1.335 0.481 0 CA-C-N 115.21 -0.904 . . . . 6.9 113.846 -174.196 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -125.1 91.58 3.46 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 117.18 0.49 . . . . 8.87 110.461 -179.514 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 607' ' ' ASN . . . . . 0.595 ' HA ' ' NH2' ' A' ' 621' ' ' ARG . 49.0 t30 -119.16 -159.43 0.77 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.056 -0.52 . . . . 9.21 110.351 -176.583 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 57.6 t 67.52 -82.8 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.298 0 C-N-CA 123.076 0.55 . . . . 9.63 110.867 -178.209 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -130.76 3.24 4.49 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-O 120.593 0.235 . . . . 9.47 110.618 178.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . 63.91 174.32 0.18 Allowed 'General case' 0 C--O 1.233 0.2 0 CA-C-N 115.676 -0.693 . . . . 9.11 110.581 -175.775 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 611' ' ' ILE . . . . . 0.434 HG22 ' HG2' ' A' ' 613' ' ' GLN . 52.7 mt -103.64 98.23 6.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 N-CA-C 109.207 -0.664 . . . . 8.31 109.207 174.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 612' ' ' ILE . . . . . . . . . . . . . 54.9 mt -95.73 89.58 2.31 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 115.536 -0.756 . . . . 8.86 110.84 -173.074 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 613' ' ' GLN . . . . . 0.434 ' HG2' HG22 ' A' ' 611' ' ' ILE . 11.9 mm100 -104.01 -37.34 7.41 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.289 0.566 . . . . 10.28 110.009 177.027 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -143.18 98.16 3.22 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-O 121.68 0.752 . . . . 10.41 109.188 177.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 615' ' ' ILE . . . . . . . . . . . . . 49.8 mt -59.74 136.99 22.78 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.415 0 CA-C-N 114.103 -1.408 . . . . 8.61 111.255 -178.794 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 54.8 m80 -133.04 133.64 43.33 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.797 -0.638 . . . . 6.75 110.068 177.368 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 18.2 m 59.93 26.52 15.78 Favored 'General case' 0 CA--C 1.533 0.311 0 O-C-N 123.767 0.667 . . . . 6.99 111.818 178.326 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 618' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 64.34 5.73 2.71 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 113.101 0.778 . . . . 9.26 113.101 175.615 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 35.3 mmt180 -87.05 71.31 10.23 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.381 0.61 . . . . 12.9 111.244 -177.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 620' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -102.92 45.89 0.94 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.345 -0.843 . . . . 11.34 110.275 -179.667 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 621' ' ' ARG . . . . . 0.595 ' NH2' ' HA ' ' A' ' 607' ' ' ASN . 12.5 mmt180 . . . . . 0 C--O 1.249 1.03 0 CA-C-N 115.075 -0.966 . . . . 11.46 110.964 -176.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.681 0 N-CA-C 111.591 -0.604 . . . . 6.72 111.591 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . -129.86 -7.79 4.48 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.887 0.343 . . . . 5.43 111.402 -178.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 512' ' ' MET . . . . . 0.543 ' O ' ' HB ' ' A' ' 548' ' ' THR . 94.8 mmm -91.0 66.85 5.91 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.1 0.476 . . . . 6.23 111.182 -177.842 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 513' ' ' ALA . . . . . 0.448 ' HA ' ' HB ' ' A' ' 548' ' ' THR . . . -81.04 93.54 6.4 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.263 -0.643 . . . . 2.28 109.263 174.688 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 514' ' ' GLN . . . . . 0.526 ' HB3' ' CG ' ' A' ' 516' ' ' LYS . 86.4 mm-40 -49.16 -53.99 18.44 Favored 'General case' 0 CA--C 1.506 -0.723 0 CA-C-N 114.238 -1.346 . . . . 5.14 112.653 -175.182 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 515' ' ' ARG . . . . . 0.422 ' HB2' ' O ' ' A' ' 514' ' ' GLN . 51.9 mtt85 69.6 -67.51 0.22 Allowed 'General case' 0 N--CA 1.454 -0.236 0 O-C-N 124.231 0.957 . . . . 6.6 108.845 -170.103 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 516' ' ' LYS . . . . . 0.526 ' CG ' ' HB3' ' A' ' 514' ' ' GLN . 33.4 mmtp 39.1 45.93 1.11 Allowed 'General case' 0 N--CA 1.475 0.776 0 O-C-N 124.127 0.892 . . . . 5.25 113.364 166.589 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 517' ' ' GLY . . . . . 0.442 ' HA2' ' O ' ' A' ' 616' ' ' HIS . . . 136.97 -41.74 1.38 Allowed Glycine 0 N--CA 1.434 -1.481 0 C-N-CA 119.681 -1.247 . . . . 3.29 110.887 -173.202 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 518' ' ' ALA . . . . . 0.545 ' HB3' ' HB ' ' A' ' 566' ' ' THR . . . -173.67 -49.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.385 -0.407 . . . . 2.38 111.192 178.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 62.94 94.71 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 119.831 -1.176 . . . . 1.58 110.373 -165.356 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 57.8 mtp180 -121.34 145.19 48.14 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.863 0.364 . . . . 2.39 110.507 -177.371 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 521' ' ' VAL . . . . . 0.487 HG22 ' HG ' ' A' ' 599' ' ' LEU . 59.5 t -94.67 134.9 30.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.658 -0.701 . . . . 0.44 111.814 -173.611 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 522' ' ' VAL . . . . . 0.446 HG22 ' HE3' ' A' ' 592' ' ' MET . 93.4 t -105.19 134.14 47.47 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-N 115.099 -0.955 . . . . 0.25 109.414 172.857 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 7.2 p-80 -106.67 136.13 47.01 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.614 -0.513 . . . . 1.75 109.614 179.355 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 524' ' ' ILE . . . . . 0.532 HD12 HG13 ' A' ' 537' ' ' VAL . 77.6 mt -109.65 127.68 66.27 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.987 0 CA-C-N 116.131 -0.486 . . . . 0.28 109.976 178.525 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 8.3 p -120.73 171.65 8.44 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.715 -0.675 . . . . 1.28 110.906 -175.089 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 67.79 33.94 4.59 Favored 'General case' 0 N--CA 1.464 0.239 0 O-C-N 123.915 0.759 . . . . 1.22 110.277 -177.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 84.0 mt -88.01 120.36 70.7 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-N 115.871 -0.604 . . . . 0.6 111.301 -176.629 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 528' ' ' PRO . . . . . 0.512 ' HD2' ' SG ' ' A' ' 532' ' ' CYS . 35.8 Cg_endo -68.58 131.96 24.18 Favored 'Trans proline' 0 C--O 1.237 0.462 0 C-N-CA 122.361 2.041 . . . . 0.62 111.97 172.877 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -68.86 131.0 44.41 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.003 -0.544 . . . . 2.98 111.295 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 83.78 -18.7 19.2 Favored Glycine 0 N--CA 1.45 -0.392 0 CA-C-N 116.084 -0.507 . . . . 0.94 113.41 175.713 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 531' ' ' SER . . . . . 0.405 ' HB3' ' ND2' ' A' ' 584' ' ' ASN . 12.9 m -92.14 -36.21 13.43 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.99 0.395 . . . . 1.17 110.907 -178.459 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 532' ' ' CYS . . . . . 0.512 ' SG ' ' HD2' ' A' ' 528' ' ' PRO . 67.0 m -86.31 129.55 34.81 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.309 -0.405 . . . . 0.77 110.358 178.485 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 29.5 p -104.19 167.32 9.83 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.744 -0.465 . . . . 0.54 109.744 -178.569 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -59.76 -44.4 93.87 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.558 -0.534 . . . . 1.32 109.558 178.274 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 49.5 m-80 -61.86 -44.19 97.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.427 -0.806 . . . . 1.95 111.623 -177.164 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 536' ' ' ASP . . . . . 0.54 ' O ' ' HG ' ' A' ' 540' ' ' LEU . 34.4 m-20 -66.72 -44.62 81.13 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 120.56 0.219 . . . . 0.52 111.506 -175.45 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 537' ' ' VAL . . . . . 0.532 HG13 HD12 ' A' ' 524' ' ' ILE . 94.7 t -61.68 -41.92 92.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.002 0.429 . . . . 0.25 110.394 -178.131 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 86.1 mt -67.3 -40.95 85.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.89 -0.596 . . . . 0.24 110.659 177.061 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 539' ' ' ASN . . . . . 0.505 ' O ' ' HD3' ' A' ' 543' ' ' PRO . 71.5 m-20 -61.96 -30.56 71.01 Favored 'General case' 0 C--O 1.224 -0.251 0 CA-C-N 115.929 -0.578 . . . . 1.07 111.884 -178.093 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 540' ' ' LEU . . . . . 0.54 ' HG ' ' O ' ' A' ' 536' ' ' ASP . 41.3 mt -69.42 -39.04 78.13 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 111.667 0.247 . . . . 0.36 111.667 -176.844 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -76.37 -36.8 38.08 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.475 -0.869 . . . . 0.22 112.425 -177.662 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 542' ' ' LEU . . . . . 0.525 ' HA ' ' O ' ' A' ' 545' ' ' GLY . 82.3 mt -48.04 -47.32 65.12 Favored Pre-proline 0 CA--C 1.545 0.776 0 N-CA-C 114.92 1.452 . . . . 0.25 114.92 -173.584 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 543' ' ' PRO . . . . . 0.505 ' HD3' ' O ' ' A' ' 539' ' ' ASN . 65.1 Cg_exo -49.08 -34.71 30.79 Favored 'Trans proline' 0 C--N 1.357 0.995 0 C-N-CA 122.346 2.03 . . . . 0.19 115.579 -171.653 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 544' ' ' PHE . . . . . 0.457 ' HB2' ' CB ' ' A' ' 572' ' ' MET . 87.0 m-85 -110.43 -17.52 13.44 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.141 -0.624 . . . . 0.35 112.677 178.43 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 545' ' ' GLY . . . . . 0.525 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . -149.84 138.96 7.07 Favored Glycine 0 C--O 1.226 -0.401 0 C-N-CA 120.754 -0.736 . . . . 1.14 112.984 177.086 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 546' ' ' LYS . . . . . 0.477 ' O ' ' HA ' ' A' ' 563' ' ' MET . 23.3 tptm -77.17 143.83 38.8 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.85 0.357 . . . . 1.56 111.379 -178.645 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 547' ' ' VAL . . . . . 0.567 ' HA ' ' O ' ' A' ' 562' ' ' GLU . 99.5 t -98.71 136.31 30.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.407 -0.815 . . . . 0.25 110.646 179.116 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 548' ' ' THR . . . . . 0.543 ' HB ' ' O ' ' A' ' 512' ' ' MET . 47.5 p -102.89 -38.21 7.49 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.016 0.436 . . . . 0.37 110.56 178.65 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -159.72 167.66 27.79 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 108.968 -0.752 . . . . 1.43 108.968 178.376 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 39.4 p90 -142.53 151.61 41.79 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.679 -0.408 . . . . 0.47 111.569 -178.352 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 551' ' ' ILE . . . . . 0.467 HD12 HD22 ' A' ' 599' ' ' LEU . 54.9 mt -127.3 122.73 60.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 108.999 -0.741 . . . . 0.37 108.999 173.067 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 552' ' ' LEU . . . . . . . . . . . . . 41.7 mt -112.05 111.65 22.72 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 116.128 -0.487 . . . . 0.45 111.43 -175.805 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 67.0 mtt -108.52 86.21 2.25 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.505 0.669 . . . . 1.18 110.187 177.306 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -67.31 -30.19 69.97 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.155 -0.93 . . . . 1.45 110.308 -179.306 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 59.5 p -63.57 -27.44 69.25 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.66 -0.7 . . . . 1.11 111.907 -179.581 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 76.0 p -104.21 8.53 36.21 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.836 -0.346 . . . . 0.88 111.057 178.635 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 12.3 m120 57.24 42.21 25.66 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 115.747 -0.66 . . . . 2.35 110.889 -179.287 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -142.31 153.81 44.17 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.888 0.375 . . . . 2.07 110.977 -174.217 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -130.49 142.97 50.48 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.108 -0.496 . . . . 0.27 110.125 176.074 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 560' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -126.87 128.37 46.4 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.916 0.388 . . . . 0.33 109.991 -179.091 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 561' ' ' LEU . . . . . 0.562 ' HB3' ' HE1' ' A' ' 563' ' ' MET . 15.2 tp -125.51 134.85 51.87 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.869 -0.605 . . . . 0.22 109.888 -173.055 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 562' ' ' GLU . . . . . 0.577 ' HB2' HD12 ' A' ' 599' ' ' LEU . 10.7 tp10 -101.01 137.87 38.82 Favored 'General case' 0 N--CA 1.465 0.298 0 O-C-N 123.077 0.235 . . . . 1.85 111.026 -176.207 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 563' ' ' MET . . . . . 0.661 ' HE2' ' SD ' ' A' ' 572' ' ' MET . 0.8 OUTLIER -113.82 139.35 49.22 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.943 0.877 . . . . 0.96 111.998 -175.916 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -62.7 -31.84 72.82 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-N 114.295 -1.321 . . . . 0.36 112.691 -173.582 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -130.18 154.63 47.34 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.423 -0.353 . . . . 1.27 110.106 -179.142 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 566' ' ' THR . . . . . 0.545 ' HB ' ' HB3' ' A' ' 518' ' ' ALA . 9.3 t -61.98 -37.11 83.57 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.131 0.491 . . . . 0.52 110.251 176.641 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -66.57 -34.55 78.16 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.773 -0.649 . . . . 1.91 110.687 177.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 568' ' ' ALA . . . . . 0.47 ' HB1' ' CA ' ' A' ' 545' ' ' GLY . . . -62.4 -46.11 90.09 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.905 -0.588 . . . . 0.28 110.858 -178.065 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 569' ' ' ALA . . . . . 0.43 ' HB2' ' HB2' ' A' ' 563' ' ' MET . . . -68.28 -47.28 68.11 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.951 -0.568 . . . . 0.19 111.647 -178.216 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 570' ' ' GLN . . . . . 0.554 ' O ' ' HG3' ' A' ' 574' ' ' GLN . 48.3 mt-30 -69.76 -46.28 66.17 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.3 -0.409 . . . . 1.21 111.516 -176.144 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -62.0 -41.11 97.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.353 -0.385 . . . . 0.31 111.548 -174.79 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 572' ' ' MET . . . . . 0.661 ' SD ' ' HE2' ' A' ' 563' ' ' MET . 15.4 ptp -66.43 -46.24 77.13 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.836 -0.345 . . . . 0.62 110.808 -177.214 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 573' ' ' VAL . . . . . 0.582 HG11 ' HG2' ' A' ' 592' ' ' MET . 90.5 t -66.81 -36.9 78.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.337 -0.392 . . . . 0.21 111.412 -175.047 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 574' ' ' GLN . . . . . 0.554 ' HG3' ' O ' ' A' ' 570' ' ' GLN . 78.6 mt-30 -59.42 -37.32 77.74 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.653 -0.499 . . . . 1.9 109.653 178.128 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 72.5 t80 -69.78 -49.89 48.51 Favored 'General case' 0 C--O 1.222 -0.395 0 CA-C-N 116.062 -0.517 . . . . 0.52 110.955 172.615 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 576' ' ' TYR . . . . . 0.496 ' CE1' ' HB2' ' A' ' 572' ' ' MET . 21.2 m-85 -71.99 -16.54 62.07 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 112.691 0.626 . . . . 0.34 112.691 -172.652 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -76.68 -30.8 56.89 Favored 'General case' 0 C--N 1.318 -0.797 0 C-N-CA 120.562 -0.455 . . . . 1.84 110.438 174.259 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -95.86 -39.73 9.67 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.007 -0.542 . . . . 2.07 110.669 -178.583 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -129.97 78.78 74.33 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 115.74 -0.664 . . . . 2.07 109.554 176.234 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -68.16 159.63 52.31 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 123.381 2.721 . . . . 0.19 112.596 -174.524 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 581' ' ' ALA . . . . . 0.454 ' HB1' HD22 ' A' ' 540' ' ' LEU . . . -91.88 152.88 19.88 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.007 -0.542 . . . . 0.2 110.487 -173.217 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 582' ' ' ILE . . . . . 0.46 HG12 ' HG2' ' A' ' 587' ' ' LYS . 57.2 mt -114.55 127.81 71.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 121.143 0.497 . . . . 0.54 112.334 -169.603 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 583' ' ' ILE . . . . . 0.435 HD12 HD11 ' A' ' 588' ' ' LEU . 36.9 mt -122.45 124.99 72.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.739 -0.664 . . . . 0.73 109.938 171.312 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 584' ' ' ASN . . . . . 0.405 ' ND2' ' HB3' ' A' ' 531' ' ' SER . 4.8 m-20 59.3 33.91 22.73 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.213 -0.449 . . . . 1.46 111.562 178.791 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 80.74 3.9 90.33 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.988 -0.625 . . . . 0.67 112.456 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -106.84 127.45 53.42 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.87 0.367 . . . . 1.93 110.774 -178.813 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 587' ' ' LYS . . . . . 0.46 ' HG2' HG12 ' A' ' 582' ' ' ILE . 30.4 mtpp -80.35 109.6 15.0 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.183 -0.462 . . . . 2.12 109.989 179.331 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 588' ' ' LEU . . . . . 0.435 HD11 HD12 ' A' ' 583' ' ' ILE . 69.4 mt -86.14 127.45 34.71 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.926 -0.579 . . . . 0.28 110.301 179.604 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 589' ' ' LEU . . . . . 0.434 ' HG ' ' HG3' ' A' ' 591' ' ' ARG . 26.4 tp -83.6 109.31 17.31 Favored 'General case' 0 N--CA 1.438 -1.052 0 N-CA-C 108.714 -0.847 . . . . 0.38 108.714 176.209 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 590' ' ' ILE . . . . . 0.412 ' O ' HG13 ' A' ' 573' ' ' VAL . 52.5 mt -95.36 116.6 37.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 108.519 -0.919 . . . . 0.17 108.519 -179.823 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 591' ' ' ARG . . . . . 0.434 ' HG3' ' HG ' ' A' ' 589' ' ' LEU . 29.1 mtp85 -129.78 157.69 41.48 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 113.014 0.746 . . . . 3.0 113.014 -170.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 592' ' ' MET . . . . . 0.582 ' HG2' HG11 ' A' ' 573' ' ' VAL . 0.1 OUTLIER -66.63 135.39 54.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.278 -0.873 . . . . 0.33 110.02 179.283 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 43.2 t -87.63 126.14 34.78 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.932 -0.307 . . . . 1.04 110.269 176.727 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 12.6 t -99.53 -15.36 18.67 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.149 0.5 . . . . 1.6 109.78 172.357 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 70.5 mtp180 -76.82 -39.14 52.39 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.823 -0.626 . . . . 2.94 110.643 -179.274 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -110.29 132.93 53.74 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.933 -0.395 . . . . 0.93 109.933 177.627 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -91.69 -26.04 18.83 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.148 -0.478 . . . . 3.4 109.745 172.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -159.98 143.65 14.21 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 108.806 -0.813 . . . . 2.02 108.806 -174.67 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 599' ' ' LEU . . . . . 0.577 HD12 ' HB2' ' A' ' 562' ' ' GLU . 42.8 mt -86.69 121.98 29.95 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.86 -0.422 . . . . 1.02 109.86 175.532 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 27.6 mm-40 -122.62 107.23 11.73 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 121.009 0.433 . . . . 2.87 110.518 177.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 62.9 mt -79.11 -167.63 1.22 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.506 -0.77 . . . . 1.47 109.236 175.787 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 46.9 mmtm -53.0 -37.15 61.19 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.019 -0.734 . . . . 5.4 109.019 169.265 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -87.71 120.69 71.04 Favored Pre-proline 0 N--CA 1.449 -0.479 0 CA-C-N 115.054 -0.976 . . . . 5.81 109.271 172.233 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 604' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -76.57 35.52 0.47 Allowed 'Trans proline' 0 CA--C 1.531 0.358 0 C-N-CA 122.825 2.35 . . . . 6.24 113.288 -176.605 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 605' ' ' GLY . . . . . . . . . . . . . . . 59.9 54.8 34.46 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.99 -0.624 . . . . 6.9 111.583 -177.403 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp 65.37 -79.56 0.03 OUTLIER 'General case' 0 C--O 1.231 0.108 0 C-N-CA 123.233 0.613 . . . . 8.87 111.148 -175.554 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 31.1 t-20 52.7 45.52 28.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.639 0.733 . . . . 9.21 109.684 -177.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 48.7 t -83.57 -52.63 12.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.509 -0.769 . . . . 9.63 109.007 178.076 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -151.08 158.28 43.85 Favored 'General case' 0 N--CA 1.438 -1.07 0 CA-C-N 114.875 -1.057 . . . . 9.47 108.851 177.222 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -61.87 123.77 18.92 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.178 -0.464 . . . . 9.11 110.167 176.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 61.2 mt -78.98 75.27 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.645 0.736 . . . . 8.31 109.929 -177.322 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 612' ' ' ILE . . . . . . . . . . . . . 46.4 mt -88.9 60.91 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.638 0 CA-C-O 121.774 0.797 . . . . 8.86 110.554 -176.383 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -90.53 -12.71 36.35 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 107.589 -1.263 . . . . 10.28 107.589 170.187 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 18.6 t70 177.2 119.52 0.03 OUTLIER 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 113.317 -1.765 . . . . 10.41 106.609 174.121 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 615' ' ' ILE . . . . . . . . . . . . . 66.2 mt -38.46 -60.58 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.928 0 O-C-N 124.876 1.36 . . . . 8.61 113.043 -170.041 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 616' ' ' HIS . . . . . 0.442 ' O ' ' HA2' ' A' ' 517' ' ' GLY . 51.5 m80 52.99 51.49 15.73 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 120.713 0.292 . . . . 6.75 110.946 -178.473 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 13.8 t 71.53 -14.83 0.46 Allowed 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 115.933 -0.576 . . . . 6.99 112.109 177.709 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 618' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -76.28 85.24 3.07 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.086 -0.709 . . . . 9.26 109.086 175.678 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 93.5 mtt180 -76.57 69.03 2.94 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.795 -0.638 . . . . 12.9 111.615 -171.709 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 620' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 54.67 70.32 0.63 Allowed 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.505 -0.77 . . . . 11.34 111.393 176.123 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 14.9 ptm180 . . . . . 0 C--O 1.248 0.976 0 CA-C-O 118.162 -0.923 . . . . 11.46 110.375 179.602 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.622 0 N-CA-C 111.942 -0.463 . . . . 6.72 111.942 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . 66.07 -1.71 1.1 Allowed 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 123.306 0.642 . . . . 5.43 112.292 178.602 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 21.3 mmt 67.32 178.35 0.23 Allowed 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 123.181 0.592 . . . . 6.23 110.873 -179.575 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 513' ' ' ALA . . . . . 0.462 ' HA ' ' ND2' ' A' ' 549' ' ' ASN . . . -179.15 -158.02 0.03 OUTLIER 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.548 -0.296 . . . . 2.28 110.668 179.741 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 514' ' ' GLN . . . . . 0.417 ' HG3' ' HA3' ' A' ' 519' ' ' GLY . 1.2 mp0 -58.48 -20.5 45.98 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 121.305 0.574 . . . . 5.14 110.571 -178.84 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 63.0 mtt180 -47.12 -30.15 2.64 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 114.622 -1.172 . . . . 6.6 112.508 -179.736 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 516' ' ' LYS . . . . . 0.446 ' O ' ' HB3' ' A' ' 616' ' ' HIS . 34.8 mmtp -52.43 -30.37 29.15 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.677 -0.692 . . . . 5.25 112.325 177.671 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . 172.83 -76.89 0.09 OUTLIER Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.405 -0.902 . . . . 3.29 112.312 179.742 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 518' ' ' ALA . . . . . . . . . . . . . . . -107.56 -64.19 1.23 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.373 0.13 . . . . 2.38 110.895 -178.649 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 519' ' ' GLY . . . . . 0.488 ' HA2' ' O ' ' A' ' 563' ' ' MET . . . 80.38 109.23 0.28 Allowed Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.527 -0.844 . . . . 1.58 112.556 -177.411 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 520' ' ' ARG . . . . . 0.555 ' HA ' ' O ' ' A' ' 597' ' ' LYS . 67.6 mtp180 -143.07 143.14 31.74 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.965 -0.384 . . . . 2.39 109.965 177.925 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 521' ' ' VAL . . . . . 0.425 HG23 ' HA ' ' A' ' 598' ' ' GLU . 90.2 t -94.86 134.74 31.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 121.735 0.779 . . . . 0.44 111.999 -174.918 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 522' ' ' VAL . . . . . . . . . . . . . 88.0 t -104.63 136.47 38.02 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 114.496 -1.229 . . . . 0.25 109.048 171.695 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 4.6 p-80 -104.26 137.51 42.07 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.594 -0.521 . . . . 1.75 109.594 -177.652 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 524' ' ' ILE . . . . . 0.51 HD12 HG13 ' A' ' 537' ' ' VAL . 78.9 mt -117.11 126.96 74.77 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.898 0 CA-C-N 115.913 -0.585 . . . . 0.28 109.976 178.768 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 525' ' ' CYS . . . . . 0.404 ' SG ' ' HB3' ' A' ' 589' ' ' LEU . 7.7 p -122.25 174.84 6.73 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.637 -0.71 . . . . 1.28 110.79 -174.728 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 66.08 26.8 10.68 Favored 'General case' 0 N--CA 1.466 0.355 0 O-C-N 123.679 0.612 . . . . 1.22 110.879 -178.669 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 81.0 mt -78.2 121.28 83.68 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 116.086 -0.506 . . . . 0.6 111.166 -176.754 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 528' ' ' PRO . . . . . 0.4 ' HG2' ' HB2' ' A' ' 531' ' ' SER . 29.8 Cg_endo -67.41 131.37 24.59 Favored 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 121.998 1.798 . . . . 0.62 111.873 176.473 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -69.13 132.13 46.08 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.567 -0.742 . . . . 2.98 111.434 -179.069 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 80.37 -18.54 8.22 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 121.186 -0.531 . . . . 0.94 113.273 176.992 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 531' ' ' SER . . . . . 0.4 ' HB2' ' HG2' ' A' ' 528' ' ' PRO . 3.8 m -86.88 -34.54 19.4 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.018 0.437 . . . . 1.17 110.689 -178.693 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 35.5 m -85.81 130.0 34.67 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.93 -0.577 . . . . 0.77 111.364 -176.057 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 69.2 p -105.93 170.73 7.73 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.906 -0.776 . . . . 0.54 108.906 171.862 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -56.17 -43.73 78.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.022 0.439 . . . . 1.32 110.187 179.73 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -59.51 -43.59 93.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.413 -0.812 . . . . 1.95 112.174 -176.546 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 536' ' ' ASP . . . . . 0.72 ' O ' ' HG ' ' A' ' 540' ' ' LEU . 42.3 m-20 -61.55 -48.12 82.44 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-O 120.884 0.373 . . . . 0.52 110.917 -174.998 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 537' ' ' VAL . . . . . 0.51 HG13 HD12 ' A' ' 524' ' ' ILE . 80.0 t -63.91 -43.99 97.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.8 -0.636 . . . . 0.25 110.827 -176.329 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 87.9 mt -67.04 -46.04 85.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.142 0.496 . . . . 0.24 110.673 179.222 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 539' ' ' ASN . . . . . 0.513 ' O ' ' HD3' ' A' ' 543' ' ' PRO . 6.2 m-20 -63.28 -27.01 69.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.582 -0.735 . . . . 1.07 112.519 -177.22 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 540' ' ' LEU . . . . . 0.72 ' HG ' ' O ' ' A' ' 536' ' ' ASP . 46.0 mt -71.19 -39.16 71.97 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.936 -0.305 . . . . 0.36 111.648 178.993 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -79.46 -35.42 29.39 Favored Glycine 0 CA--C 1.516 0.149 0 C-N-CA 120.496 -0.859 . . . . 0.22 112.352 -178.255 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 542' ' ' LEU . . . . . 0.464 ' HA ' ' O ' ' A' ' 545' ' ' GLY . 29.3 mt -47.89 -46.84 63.87 Favored Pre-proline 0 CA--C 1.544 0.72 0 N-CA-C 115.184 1.549 . . . . 0.25 115.184 -175.899 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 543' ' ' PRO . . . . . 0.513 ' HD3' ' O ' ' A' ' 539' ' ' ASN . 64.1 Cg_exo -49.09 -34.09 28.98 Favored 'Trans proline' 0 C--N 1.357 0.993 0 C-N-CA 122.323 2.015 . . . . 0.19 115.632 -171.219 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -110.0 -17.52 13.58 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.9 0.704 . . . . 0.35 112.9 179.888 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 545' ' ' GLY . . . . . 0.464 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . -149.53 143.39 10.76 Favored Glycine 0 CA--C 1.519 0.308 0 C-N-CA 120.921 -0.657 . . . . 1.14 112.537 176.193 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 24.0 tptm -76.32 137.77 40.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.258 0.551 . . . . 1.56 111.458 -177.603 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 91.1 t -97.24 137.68 24.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.203 -0.908 . . . . 0.25 110.796 179.639 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 548' ' ' THR . . . . . 0.466 ' OG1' ' HG3' ' A' ' 562' ' ' GLU . 54.9 p -107.98 -39.69 5.45 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.824 0.345 . . . . 0.37 111.089 176.247 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 549' ' ' ASN . . . . . 0.462 ' ND2' ' HA ' ' A' ' 513' ' ' ALA . 33.3 m-80 -146.88 166.93 25.23 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 110.221 -0.288 . . . . 1.43 110.221 -173.35 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 52.6 p90 -149.92 150.65 32.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.98 0.419 . . . . 0.47 111.442 178.019 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 551' ' ' ILE . . . . . 0.42 ' CD1' HD22 ' A' ' 599' ' ' LEU . 25.7 mt -128.66 123.2 58.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 108.617 -0.883 . . . . 0.37 108.617 170.45 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 552' ' ' LEU . . . . . . . . . . . . . 86.8 mt -111.98 113.2 25.36 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.409 -0.36 . . . . 0.45 111.522 -175.234 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 26.2 mmt -108.11 84.94 2.03 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.409 -0.589 . . . . 1.18 109.409 173.414 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -68.51 -32.63 72.73 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.466 -0.788 . . . . 1.45 111.379 -175.129 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 64.2 p -65.48 -22.73 66.77 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.176 -0.465 . . . . 1.11 111.706 -178.464 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 556' ' ' THR . . . . . 0.496 ' O ' ' HG2' ' A' ' 558' ' ' GLN . 69.2 p -107.59 4.91 26.47 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.529 -0.305 . . . . 0.88 111.499 -179.884 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 16.3 m120 56.72 41.93 27.55 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 115.826 -0.625 . . . . 2.35 111.088 -177.629 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 558' ' ' GLN . . . . . 0.496 ' HG2' ' O ' ' A' ' 556' ' ' THR . 20.8 mm-40 -139.76 148.57 42.44 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.313 -0.403 . . . . 2.07 110.275 -175.147 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -140.31 145.36 37.12 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.997 0.427 . . . . 0.27 110.855 179.144 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 560' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -122.06 126.14 47.8 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.547 -0.751 . . . . 0.33 109.181 178.06 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 561' ' ' LEU . . . . . 0.491 ' HB3' ' HE1' ' A' ' 563' ' ' MET . 15.5 tp -121.13 132.82 55.09 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 116.1 -0.5 . . . . 0.22 109.681 -173.479 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 562' ' ' GLU . . . . . 0.467 ' HB2' HD12 ' A' ' 599' ' ' LEU . 10.7 tp10 -101.82 134.48 44.92 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.825 0.345 . . . . 1.85 111.07 -174.932 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 563' ' ' MET . . . . . 0.598 ' HE2' ' SD ' ' A' ' 572' ' ' MET . 0.4 OUTLIER -112.47 144.84 41.25 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.704 0.764 . . . . 0.96 111.498 -174.779 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -65.36 -28.6 69.39 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 114.751 -1.113 . . . . 0.36 112.171 -175.703 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 34.6 m-85 -136.59 146.35 45.98 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.902 -0.407 . . . . 1.27 109.902 -175.022 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 5.7 t -61.05 -38.59 86.71 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.166 -0.47 . . . . 0.52 110.167 176.5 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -66.47 -36.0 81.66 Favored 'General case' 0 C--O 1.226 -0.153 0 CA-C-N 116.189 -0.46 . . . . 1.91 110.805 177.891 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 568' ' ' ALA . . . . . . . . . . . . . . . -63.09 -45.9 89.89 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.273 -0.421 . . . . 0.28 110.76 179.569 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 569' ' ' ALA . . . . . 0.464 ' O ' ' HG2' ' A' ' 572' ' ' MET . . . -67.73 -46.89 70.85 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.881 -0.6 . . . . 0.19 111.625 -177.302 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 570' ' ' GLN . . . . . 0.595 ' O ' ' HG2' ' A' ' 574' ' ' GLN . 10.8 pt20 -69.08 -44.18 73.08 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.306 -0.406 . . . . 1.21 111.133 -176.722 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -62.15 -40.71 96.89 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.386 -0.37 . . . . 0.31 111.526 -177.438 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 572' ' ' MET . . . . . 0.598 ' SD ' ' HE2' ' A' ' 563' ' ' MET . 13.1 ptp -65.83 -44.44 85.56 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 110.026 -0.361 . . . . 0.62 110.026 -179.55 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 573' ' ' VAL . . . . . 0.689 HG13 ' HA ' ' A' ' 591' ' ' ARG . 78.7 t -66.49 -36.3 76.98 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.603 0 CA-C-N 116.098 -0.501 . . . . 0.21 111.123 -177.74 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 574' ' ' GLN . . . . . 0.595 ' HG2' ' O ' ' A' ' 570' ' ' GLN . 29.5 mm-40 -58.23 -38.15 76.28 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.596 -0.52 . . . . 1.9 109.596 177.653 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -69.65 -50.39 44.58 Favored 'General case' 0 C--O 1.219 -0.528 0 CA-C-N 116.121 -0.49 . . . . 0.52 111.053 173.605 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 576' ' ' TYR . . . . . 0.419 ' CB ' ' HB ' ' A' ' 590' ' ' ILE . 20.8 m-85 -72.2 -16.62 61.95 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 112.771 0.656 . . . . 0.34 112.771 -172.389 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -71.82 -34.3 69.22 Favored 'General case' 0 C--N 1.318 -0.778 0 C-N-CA 120.727 -0.389 . . . . 1.84 110.673 173.24 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -96.92 -39.67 9.27 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.103 0.478 . . . . 2.07 110.835 179.696 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -126.48 79.77 70.47 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 115.647 -0.706 . . . . 2.07 110.017 177.838 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -70.15 161.35 46.33 Favored 'Trans proline' 0 C--O 1.235 0.327 0 C-N-CA 123.726 2.951 . . . . 0.19 112.483 -176.238 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 581' ' ' ALA . . . . . 0.47 ' HB1' HD22 ' A' ' 540' ' ' LEU . . . -92.27 152.69 19.69 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.199 -0.455 . . . . 0.2 110.522 -175.76 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 66.7 mt -120.55 133.99 65.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-O 120.94 0.4 . . . . 0.54 112.026 -170.537 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 583' ' ' ILE . . . . . 0.548 HD12 HD11 ' A' ' 588' ' ' LEU . 39.8 mt -121.53 116.36 49.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.961 -0.563 . . . . 0.73 110.168 171.51 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 58.44 39.27 25.32 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 116.093 -0.503 . . . . 1.46 111.789 175.847 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 84.57 0.87 89.32 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.983 -0.627 . . . . 0.67 112.885 178.076 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -105.07 126.74 52.4 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.856 0.36 . . . . 1.93 110.389 179.823 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 60.3 mtpt -83.49 113.4 20.76 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.977 -0.556 . . . . 2.12 110.366 -178.838 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 588' ' ' LEU . . . . . 0.548 HD11 HD12 ' A' ' 583' ' ' ILE . 54.3 mt -87.38 127.4 35.21 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.993 -0.549 . . . . 0.28 109.863 177.929 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 589' ' ' LEU . . . . . 0.404 ' HB3' ' SG ' ' A' ' 525' ' ' CYS . 37.8 tp -83.69 107.93 16.44 Favored 'General case' 0 C--N 1.309 -1.17 0 N-CA-C 108.655 -0.869 . . . . 0.38 108.655 173.725 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 590' ' ' ILE . . . . . 0.419 ' HB ' ' CB ' ' A' ' 576' ' ' TYR . 40.8 mt -96.43 115.59 36.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 108.432 -0.951 . . . . 0.17 108.432 177.056 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 591' ' ' ARG . . . . . 0.689 ' HA ' HG13 ' A' ' 573' ' ' VAL . 73.7 mtt180 -139.04 165.04 28.18 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.324 0.49 . . . . 3.0 112.324 -173.787 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 592' ' ' MET . . . . . 0.602 ' HG2' HG11 ' A' ' 573' ' ' VAL . 0.1 OUTLIER -62.95 134.71 56.61 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.623 -0.717 . . . . 0.33 109.43 -178.629 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 23.0 t -81.8 130.78 35.18 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.047 0.451 . . . . 1.04 110.759 -176.482 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 22.2 p -99.12 -25.14 14.63 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.521 -0.763 . . . . 1.6 110.304 175.145 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 81.8 mtp180 -74.52 -39.53 62.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.386 -0.825 . . . . 2.94 110.801 -179.574 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 66.3 m-85 -124.25 133.63 53.45 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.333 -0.394 . . . . 0.93 110.308 177.273 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 597' ' ' LYS . . . . . 0.555 ' O ' ' HA ' ' A' ' 520' ' ' ARG . 83.2 tttt -91.27 -39.63 11.97 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.866 -0.606 . . . . 3.4 109.524 174.568 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 598' ' ' GLU . . . . . 0.425 ' HA ' HG23 ' A' ' 521' ' ' VAL . 8.7 pt-20 -148.71 144.62 27.22 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.938 -1.028 . . . . 2.02 109.589 -179.17 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 599' ' ' LEU . . . . . 0.467 HD12 ' HB2' ' A' ' 562' ' ' GLU . 42.9 mt -84.63 104.82 14.95 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.348 0.594 . . . . 1.02 110.266 178.02 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -98.03 60.45 1.46 Allowed 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 115.221 -0.899 . . . . 2.87 109.848 -175.868 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 75.3 mt -61.38 146.53 47.95 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.258 -0.883 . . . . 1.47 110.143 -179.02 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -78.24 67.7 4.11 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.368 0.604 . . . . 5.4 110.966 -174.916 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 33.4 mtmm -116.48 104.04 52.09 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 115.736 -0.665 . . . . 5.81 109.356 176.359 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 604' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -54.45 -35.96 86.57 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 123.063 2.509 . . . . 6.24 112.897 -176.395 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 605' ' ' GLY . . . . . . . . . . . . . . . 69.04 -152.79 52.52 Favored Glycine 0 N--CA 1.444 -0.782 0 CA-C-N 115.836 -0.62 . . . . 6.9 112.049 -179.095 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 13.1 mmmm -121.71 109.29 14.55 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.482 -0.562 . . . . 8.87 109.482 179.284 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 21.1 p30 -91.58 -26.03 18.92 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 121.057 -0.257 . . . . 9.21 111.52 -177.059 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 41.1 t -78.16 -64.0 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 109.677 -0.49 . . . . 9.63 109.677 177.414 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -83.45 94.6 8.04 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.076 -0.713 . . . . 9.47 109.076 174.738 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -51.34 130.81 27.78 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.254 -0.884 . . . . 9.11 112.235 -173.7 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 42.4 mm -74.98 86.54 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.803 -0.635 . . . . 8.31 109.875 177.855 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 612' ' ' ILE . . . . . . . . . . . . . 77.2 mt -115.74 102.64 14.02 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.732 0 CA-C-N 115.657 -0.701 . . . . 8.86 109.678 178.077 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 87.8 mm-40 -85.03 21.64 1.58 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.744 -0.662 . . . . 10.28 111.405 -175.877 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 24.0 t70 73.09 -49.11 0.69 Allowed 'General case' 0 N--CA 1.467 0.421 0 O-C-N 123.88 0.738 . . . . 10.41 111.228 179.133 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 615' ' ' ILE . . . . . 0.414 ' O ' HD12 ' A' ' 615' ' ' ILE . 1.2 pp -110.04 111.25 35.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 121.213 0.53 . . . . 8.61 111.664 177.538 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 616' ' ' HIS . . . . . 0.446 ' HB3' ' O ' ' A' ' 516' ' ' LYS . 57.5 m80 65.27 80.2 0.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.372 -0.831 . . . . 6.75 111.906 174.927 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 56.3 m -150.83 93.22 1.92 Allowed 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.384 -0.826 . . . . 6.99 109.564 176.024 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 618' ' ' GLN . . . . . . . . . . . . . 11.3 mm100 -80.0 53.96 1.8 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.008 0.432 . . . . 9.26 111.079 -174.978 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 30.7 mmm180 -132.96 42.12 3.09 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.982 -0.553 . . . . 12.9 109.683 -179.518 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 620' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -68.34 137.94 55.03 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.619 -0.719 . . . . 11.34 111.645 -175.115 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 30.3 mtp180 . . . . . 0 C--O 1.247 0.967 0 CA-C-O 118.497 -0.763 . . . . 11.46 109.782 172.759 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.896 0 N-CA-C 112.138 -0.385 . . . . 6.72 112.138 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . -84.97 -1.88 57.28 Favored 'General case' 0 C--N 1.328 -0.353 0 O-C-N 122.849 -0.206 . . . . 5.43 111.351 -176.942 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 512' ' ' MET . . . . . 0.418 ' HG2' HG23 ' A' ' 611' ' ' ILE . 56.3 mtt -61.84 -30.35 70.78 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.978 0.418 . . . . 6.23 110.742 179.561 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 513' ' ' ALA . . . . . 0.484 ' CB ' ' HB ' ' A' ' 548' ' ' THR . . . -159.94 -158.56 0.65 Allowed 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.724 -0.671 . . . . 2.28 110.164 -176.989 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 514' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 57.63 76.52 0.32 Allowed 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 121.406 0.622 . . . . 5.14 111.017 -178.791 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 25.5 mmt180 -82.46 -54.66 5.02 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.458 -0.792 . . . . 6.6 110.011 -177.082 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -81.56 115.65 20.95 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.597 -0.729 . . . . 5.25 109.649 179.089 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -71.89 71.52 0.92 Allowed Glycine 0 N--CA 1.451 -0.342 0 N-CA-C 111.707 -0.557 . . . . 3.29 111.707 179.502 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 518' ' ' ALA . . . . . 0.412 ' C ' ' HB ' ' A' ' 566' ' ' THR . . . 176.02 -15.73 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 123.332 0.653 . . . . 2.38 110.218 -171.327 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -43.68 133.22 6.03 Favored Glycine 0 C--N 1.343 0.945 0 O-C-N 123.736 0.648 . . . . 1.58 112.393 177.156 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -105.98 156.24 18.58 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.866 0.365 . . . . 2.39 111.207 -172.603 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 74.5 t -94.22 132.58 37.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.5 -0.773 . . . . 0.44 109.635 175.871 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 522' ' ' VAL . . . . . 0.467 HG21 ' SD ' ' A' ' 572' ' ' MET . 61.0 t -103.45 133.25 47.85 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.982 0 CA-C-N 115.755 -0.657 . . . . 0.25 109.424 177.202 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 5.8 p-80 -109.38 139.43 44.35 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.144 0.497 . . . . 1.75 110.007 -177.95 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 524' ' ' ILE . . . . . 0.467 HD12 HG13 ' A' ' 537' ' ' VAL . 78.2 mt -115.98 129.78 71.77 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.881 0 CA-C-N 115.673 -0.694 . . . . 0.28 110.172 179.231 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 16.4 p -120.56 175.02 6.2 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.889 -0.596 . . . . 1.28 110.5 -176.909 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 67.87 29.07 6.81 Favored 'General case' 0 N--CA 1.466 0.341 0 O-C-N 123.567 0.542 . . . . 1.22 110.361 179.147 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 79.8 mt -82.57 122.34 78.61 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 115.603 -0.726 . . . . 0.6 111.082 -175.917 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 528' ' ' PRO . . . . . 0.506 ' HD2' ' SG ' ' A' ' 532' ' ' CYS . 38.1 Cg_endo -69.01 129.53 18.57 Favored 'Trans proline' 0 N--CA 1.459 -0.539 0 C-N-CA 121.379 1.386 . . . . 0.62 111.025 174.093 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -70.4 125.73 27.62 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.972 -0.558 . . . . 2.98 111.701 -177.333 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 84.95 -18.4 26.99 Favored Glycine 0 N--CA 1.45 -0.405 0 CA-C-N 115.887 -0.597 . . . . 0.94 112.994 177.393 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 50.9 m -86.15 -34.46 20.57 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.805 0.336 . . . . 1.17 111.318 -176.699 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 532' ' ' CYS . . . . . 0.506 ' SG ' ' HD2' ' A' ' 528' ' ' PRO . 57.2 m -85.34 149.31 25.54 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.365 -0.379 . . . . 0.77 110.212 179.372 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 533' ' ' THR . . . . . 0.434 ' O ' HG23 ' A' ' 537' ' ' VAL . 30.1 p -106.46 165.92 10.92 Favored 'General case' 0 C--N 1.319 -0.761 0 N-CA-C 109.125 -0.695 . . . . 0.54 109.125 173.932 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -62.63 -45.28 93.56 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.05 -0.722 . . . . 1.32 109.05 176.744 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -62.41 -43.57 98.5 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.096 -0.956 . . . . 1.95 111.793 -177.016 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 536' ' ' ASP . . . . . 0.686 ' O ' ' HG ' ' A' ' 540' ' ' LEU . 8.8 m-20 -61.15 -45.85 92.97 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 120.908 -0.317 . . . . 0.52 111.45 -179.069 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 537' ' ' VAL . . . . . 0.467 HG13 HD12 ' A' ' 524' ' ' ILE . 70.9 t -61.66 -42.05 92.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.101 0.477 . . . . 0.25 110.508 -178.986 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 86.3 mt -67.13 -45.83 85.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.768 -0.651 . . . . 0.24 110.743 177.301 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 539' ' ' ASN . . . . . 0.534 ' O ' ' HD3' ' A' ' 543' ' ' PRO . 79.0 m-20 -61.79 -27.15 68.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.564 -0.744 . . . . 1.07 112.056 -178.341 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 540' ' ' LEU . . . . . 0.686 ' HG ' ' O ' ' A' ' 536' ' ' ASP . 41.0 mt -64.24 -39.49 94.07 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 121.094 -0.242 . . . . 0.36 111.287 178.74 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -80.01 -36.87 23.73 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.71 -0.757 . . . . 0.22 112.772 -177.562 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 542' ' ' LEU . . . . . 0.642 ' HA ' ' O ' ' A' ' 545' ' ' GLY . 68.5 mt -48.07 -42.81 52.39 Favored Pre-proline 0 CA--C 1.545 0.776 0 N-CA-C 115.343 1.609 . . . . 0.25 115.343 -173.218 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 543' ' ' PRO . . . . . 0.534 ' HD3' ' O ' ' A' ' 539' ' ' ASN . 80.3 Cg_exo -50.79 -34.4 44.54 Favored 'Trans proline' 0 C--N 1.357 1.003 0 C-N-CA 121.849 1.699 . . . . 0.19 115.138 -174.706 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 69.2 m-85 -110.6 -18.98 13.05 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 113.039 0.755 . . . . 0.35 113.039 177.778 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 545' ' ' GLY . . . . . 0.642 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . -145.35 149.66 21.81 Favored Glycine 0 CA--C 1.52 0.351 0 C-N-CA 120.266 -0.968 . . . . 1.14 113.529 178.443 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 546' ' ' LYS . . . . . 0.497 ' O ' ' HA ' ' A' ' 563' ' ' MET . 56.2 tptt -86.72 127.67 34.98 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.774 0.321 . . . . 1.56 111.674 -177.926 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 547' ' ' VAL . . . . . 0.601 ' HA ' ' O ' ' A' ' 562' ' ' GLU . 84.4 t -87.98 135.71 24.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.473 -0.785 . . . . 0.25 110.535 177.017 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 548' ' ' THR . . . . . 0.484 ' HB ' ' CB ' ' A' ' 513' ' ' ALA . 81.5 p -101.27 -39.59 7.55 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.084 0.469 . . . . 0.37 110.523 177.188 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 549' ' ' ASN . . . . . 0.471 ' HB2' HD11 ' A' ' 601' ' ' LEU . 8.3 p30 -157.98 168.46 27.06 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.647 -0.706 . . . . 1.43 109.941 179.423 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 33.4 p90 -141.24 151.15 43.48 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.982 0.42 . . . . 0.47 110.885 -177.756 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 551' ' ' ILE . . . . . 0.53 HD12 HD22 ' A' ' 599' ' ' LEU . 29.9 mt -130.73 123.73 55.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.643 -0.708 . . . . 0.37 109.148 174.997 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 552' ' ' LEU . . . . . . . . . . . . . 46.5 mt -110.68 111.22 22.27 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.289 -0.414 . . . . 0.45 111.526 -174.507 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 63.4 mtt -108.93 86.02 2.21 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.411 0.624 . . . . 1.18 110.033 174.417 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 32.7 mmtm -67.74 -30.09 69.48 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.386 -0.824 . . . . 1.45 110.461 -177.031 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 65.1 p -58.88 -36.85 75.33 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.603 -0.726 . . . . 1.11 111.602 -178.011 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 556' ' ' THR . . . . . 0.409 ' O ' ' HG2' ' A' ' 558' ' ' GLN . 69.2 p -101.07 11.43 39.56 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.297 -0.41 . . . . 0.88 111.601 -178.895 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 56.34 43.23 26.64 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.93 -0.577 . . . . 2.35 110.737 -179.806 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 558' ' ' GLN . . . . . 0.409 ' HG2' ' O ' ' A' ' 556' ' ' THR . 74.6 mm-40 -140.23 149.02 42.37 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.132 0.492 . . . . 2.07 110.85 -175.61 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -130.13 142.56 50.58 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 115.944 -0.571 . . . . 0.27 109.527 175.498 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 560' ' ' PHE . . . . . 0.518 ' HB3' HD21 ' A' ' 599' ' ' LEU . 76.6 m-85 -120.05 126.79 51.66 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 109.666 -0.494 . . . . 0.33 109.666 179.348 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 14.8 tp -124.19 128.09 48.7 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.735 -0.666 . . . . 0.22 109.559 -174.232 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 562' ' ' GLU . . . . . 0.601 ' O ' ' HA ' ' A' ' 547' ' ' VAL . 7.4 tp10 -99.35 138.45 36.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.69 -0.232 . . . . 1.85 111.327 -172.321 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 563' ' ' MET . . . . . 0.497 ' HA ' ' O ' ' A' ' 546' ' ' LYS . 14.8 mmt -115.96 135.07 54.32 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.337 0.589 . . . . 0.96 111.43 -176.2 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -66.26 -25.99 67.13 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.332 -0.849 . . . . 0.36 111.556 -177.155 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -126.12 134.41 51.35 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.423 -0.808 . . . . 1.27 109.12 -178.826 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 566' ' ' THR . . . . . 0.412 ' HB ' ' C ' ' A' ' 518' ' ' ALA . 7.1 t -69.37 -30.81 68.89 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.71 0.291 . . . . 0.52 110.246 178.675 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -66.94 -35.88 80.99 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-O 121.055 0.455 . . . . 1.91 110.062 174.705 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 568' ' ' ALA . . . . . 0.622 ' HB1' ' CA ' ' A' ' 545' ' ' GLY . . . -62.54 -46.16 89.64 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 115.52 -0.764 . . . . 0.28 109.519 176.854 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 569' ' ' ALA . . . . . 0.87 ' HA ' ' SD ' ' A' ' 572' ' ' MET . . . -64.29 -45.48 87.83 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.507 -0.769 . . . . 0.19 111.567 -179.631 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 570' ' ' GLN . . . . . 0.555 ' O ' ' HG2' ' A' ' 574' ' ' GLN . 46.9 mt-30 -65.86 -47.15 75.9 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.26 -0.427 . . . . 1.21 111.149 -179.251 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -68.82 -37.93 79.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.552 -0.294 . . . . 0.31 111.547 -176.349 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 572' ' ' MET . . . . . 0.87 ' SD ' ' HA ' ' A' ' 569' ' ' ALA . 3.0 ptm -63.58 -47.69 80.44 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.674 -0.491 . . . . 0.62 109.674 -179.509 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 573' ' ' VAL . . . . . 0.688 HG13 ' HA ' ' A' ' 591' ' ' ARG . 50.6 t -67.24 -37.42 79.1 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.611 0 CA-C-N 116.399 -0.364 . . . . 0.21 111.235 -177.743 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 574' ' ' GLN . . . . . 0.555 ' HG2' ' O ' ' A' ' 570' ' ' GLN . 15.8 mm100 -59.1 -36.83 75.83 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.619 -0.432 . . . . 1.9 110.001 177.597 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 575' ' ' TYR . . . . . 0.414 ' HD2' ' CD2' ' A' ' 576' ' ' TYR . 82.5 t80 -69.67 -50.69 41.54 Favored 'General case' 0 C--O 1.219 -0.537 0 C-N-CA 120.729 -0.389 . . . . 0.52 111.277 172.958 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 576' ' ' TYR . . . . . 0.54 ' CB ' ' HB ' ' A' ' 590' ' ' ILE . 20.4 m-85 -74.7 -19.41 60.26 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 112.34 0.496 . . . . 0.34 112.34 -170.996 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 15.9 mm-40 -71.11 -30.54 66.64 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 120.904 0.383 . . . . 1.84 110.74 172.641 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 36.1 mm-40 -97.58 -39.93 8.87 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.115 0.483 . . . . 2.07 111.286 -179.819 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 13.1 mmmm -128.9 84.47 62.99 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-N 115.938 -0.574 . . . . 2.07 109.641 175.009 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_exo -73.37 159.62 46.36 Favored 'Trans proline' 0 CA--C 1.529 0.229 0 C-N-CA 123.396 2.731 . . . . 0.19 112.284 -176.282 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 581' ' ' ALA . . . . . 0.518 ' HB1' HD22 ' A' ' 540' ' ' LEU . . . -93.62 153.16 18.54 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.826 0.346 . . . . 0.2 111.193 -172.88 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 582' ' ' ILE . . . . . 0.514 ' HA ' ' O ' ' A' ' 586' ' ' GLU . 61.8 mt -111.33 133.05 58.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.105 0.479 . . . . 0.54 112.166 -173.06 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 583' ' ' ILE . . . . . . . . . . . . . 34.3 mm -120.51 113.57 40.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 115.366 -0.834 . . . . 0.73 110.543 173.493 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 52.91 40.61 31.22 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 122.87 0.468 . . . . 1.46 111.759 178.314 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 85.76 4.49 85.03 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.739 -0.743 . . . . 0.67 112.644 179.28 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 586' ' ' GLU . . . . . 0.514 ' O ' ' HA ' ' A' ' 582' ' ' ILE . 56.3 mm-40 -101.83 125.42 48.5 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 110.093 -0.336 . . . . 1.93 110.093 178.443 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -86.83 107.42 18.3 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.39 -0.596 . . . . 2.12 109.39 177.217 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 588' ' ' LEU . . . . . . . . . . . . . 77.4 mt -92.43 125.86 37.26 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.833 -0.622 . . . . 0.28 110.451 -177.764 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 32.2 tp -82.55 109.4 16.72 Favored 'General case' 0 N--CA 1.44 -0.969 0 N-CA-C 108.573 -0.899 . . . . 0.38 108.573 175.119 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 590' ' ' ILE . . . . . 0.54 ' HB ' ' CB ' ' A' ' 576' ' ' TYR . 49.2 mt -94.96 116.02 35.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 N-CA-C 108.42 -0.955 . . . . 0.17 108.42 -179.859 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 591' ' ' ARG . . . . . 0.688 ' HA ' HG13 ' A' ' 573' ' ' VAL . 27.0 ptt180 -144.73 163.97 32.42 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.985 0.735 . . . . 3.0 112.985 -172.69 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 592' ' ' MET . . . . . 0.577 ' HG2' HG11 ' A' ' 573' ' ' VAL . 0.7 OUTLIER -63.61 139.59 58.78 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.248 -0.887 . . . . 0.33 110.549 -173.563 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 23.1 t -87.85 126.63 35.14 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.772 -0.455 . . . . 1.04 109.772 174.835 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 15.1 p -95.38 -14.02 24.21 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.201 0.524 . . . . 1.6 109.895 173.472 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -81.45 -37.08 28.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.594 -0.73 . . . . 2.94 110.792 179.737 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -115.09 132.9 56.45 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.041 0.448 . . . . 0.93 111.109 176.317 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 62.0 mttp -91.58 -39.96 11.61 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.421 -0.808 . . . . 3.4 109.356 172.722 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -143.33 148.2 35.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.04 -0.982 . . . . 2.02 109.209 178.226 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 599' ' ' LEU . . . . . 0.53 HD22 HD12 ' A' ' 551' ' ' ILE . 59.3 mt -87.63 109.03 19.36 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.239 0.543 . . . . 1.02 110.311 175.131 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -93.5 94.59 8.75 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 115.535 -0.757 . . . . 2.87 109.054 177.398 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 601' ' ' LEU . . . . . 0.471 HD11 ' HB2' ' A' ' 549' ' ' ASN . 90.7 mt -61.91 102.98 0.31 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.154 -0.475 . . . . 1.47 110.856 -178.838 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 602' ' ' LYS . . . . . 0.507 ' HD3' ' H ' ' A' ' 602' ' ' LYS . 0.0 OUTLIER -79.39 -8.02 58.79 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.41 0.624 . . . . 5.4 109.436 174.08 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 603' ' ' LYS . . . . . 0.402 ' O ' ' HE3' ' A' ' 606' ' ' LYS . 75.2 mmtt -76.78 127.88 83.0 Favored Pre-proline 0 N--CA 1.448 -0.526 0 CA-C-N 115.26 -0.882 . . . . 5.81 110.145 178.725 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 604' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -75.87 1.04 8.58 Favored 'Trans proline' 0 CA--C 1.529 0.267 0 C-N-CA 122.827 2.352 . . . . 6.24 113.055 -178.714 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 605' ' ' GLY . . . . . . . . . . . . . . . -67.36 -61.01 5.4 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.925 -0.655 . . . . 6.9 112.219 179.626 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 606' ' ' LYS . . . . . 0.402 ' HE3' ' O ' ' A' ' 603' ' ' LYS . 34.1 mmtp 63.55 -174.71 0.16 Allowed 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 122.99 0.516 . . . . 8.87 111.264 178.574 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 607' ' ' ASN . . . . . 0.447 ' OD1' HG13 ' A' ' 611' ' ' ILE . 12.6 t30 56.15 73.87 0.42 Allowed 'General case' 0 N--CA 1.466 0.375 0 CA-C-O 121.38 0.61 . . . . 9.21 110.804 -177.595 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 79.5 t -79.45 -65.16 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.178 -0.465 . . . . 9.63 109.955 176.606 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -90.84 -56.53 3.14 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.921 -0.581 . . . . 9.47 109.817 174.857 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -168.21 154.31 7.22 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.76 -0.655 . . . . 9.11 109.758 178.604 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 611' ' ' ILE . . . . . 0.447 HG13 ' OD1' ' A' ' 607' ' ' ASN . 58.1 mt -86.35 77.4 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 121.476 0.655 . . . . 8.31 109.493 176.503 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 612' ' ' ILE . . . . . . . . . . . . . 61.3 mt -83.27 124.95 40.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.594 -0.73 . . . . 8.86 109.744 -179.557 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -113.99 -20.93 10.83 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.286 0.476 . . . . 10.28 112.286 -174.214 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -108.02 -68.16 0.92 Allowed 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.5 0.555 . . . . 10.41 112.5 -173.45 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 615' ' ' ILE . . . . . 0.432 ' H ' HG13 ' A' ' 615' ' ' ILE . 2.8 pp -79.7 170.92 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 112.023 0.379 . . . . 8.61 112.023 -173.633 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 39.8 m80 -75.59 -65.68 0.87 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.671 0.272 . . . . 6.75 110.59 -177.01 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 12.3 p -133.94 -68.58 0.56 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.211 -0.45 . . . . 6.99 110.748 -178.649 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 618' ' ' GLN . . . . . . . . . . . . . 87.1 mm-40 54.91 -165.42 0.1 Allowed 'General case' 0 C--O 1.236 0.366 0 CA-C-O 121.467 0.651 . . . . 9.26 111.602 178.612 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 619' ' ' ARG . . . . . 0.534 ' NE ' ' HA ' ' A' ' 619' ' ' ARG . 4.0 mmp_? -81.35 105.45 12.54 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 108.915 -0.772 . . . . 12.9 108.915 171.145 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 620' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -61.68 136.09 57.87 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.198 -0.91 . . . . 11.34 111.156 -176.365 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 86.5 mtm180 . . . . . 0 C--O 1.247 0.967 0 CA-C-O 118.309 -0.853 . . . . 11.46 110.325 -177.284 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.562 0 N-CA-C 111.929 -0.468 . . . . 6.72 111.929 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . -115.24 28.31 8.78 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.195 0.522 . . . . 5.43 110.67 -179.776 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.7 -27.93 28.65 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.958 -0.565 . . . . 6.23 110.723 -180.0 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -109.24 -159.98 0.7 Allowed 'General case' 0 CA--C 1.511 -0.524 0 CA-C-O 121.482 0.658 . . . . 2.28 111.17 -176.585 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 514' ' ' GLN . . . . . 0.458 ' CG ' HG22 ' A' ' 548' ' ' THR . 85.5 mm-40 -79.51 -36.73 38.09 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.134 -0.939 . . . . 5.14 110.231 172.933 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 16.2 mmm180 -142.97 -90.49 0.13 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.268 -0.423 . . . . 6.6 111.67 -172.904 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp -104.28 -7.49 19.99 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.355 -0.384 . . . . 5.25 111.192 -177.233 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 517' ' ' GLY . . . . . 0.448 ' C ' ' H ' ' A' ' 519' ' ' GLY . . . 72.02 29.96 66.16 Favored Glycine 0 N--CA 1.446 -0.635 0 N-CA-C 109.391 -1.483 . . . . 3.29 109.391 -167.589 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 518' ' ' ALA . . . . . 0.437 ' O ' ' HB ' ' A' ' 566' ' ' THR . . . 70.62 -40.02 0.46 Allowed 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 114.073 -1.064 . . . . 2.38 111.785 -174.377 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 519' ' ' GLY . . . . . 0.448 ' H ' ' C ' ' A' ' 517' ' ' GLY . . . 95.04 -7.06 69.59 Favored Glycine 0 C--N 1.312 -0.753 0 N-CA-C 110.121 -1.192 . . . . 1.58 110.121 -170.715 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 520' ' ' ARG . . . . . 0.547 ' HD2' HE22 ' A' ' 570' ' ' GLN . 92.8 mtt180 -146.78 140.91 26.18 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 114.516 -0.842 . . . . 2.39 109.66 176.791 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 68.8 t -104.1 138.55 28.21 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.966 0 CA-C-N 116.08 -0.509 . . . . 0.44 109.72 174.469 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 522' ' ' VAL . . . . . . . . . . . . . 49.3 t -98.99 128.94 50.09 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 N-CA-C 109.531 -0.544 . . . . 0.25 109.531 -179.624 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 523' ' ' HIS . . . . . 0.438 ' CE1' ' HG3' ' A' ' 591' ' ' ARG . 5.0 p-80 -106.43 136.72 45.69 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.407 -0.517 . . . . 1.75 109.913 -179.447 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 524' ' ' ILE . . . . . 0.496 HD12 HG13 ' A' ' 537' ' ' VAL . 74.7 mt -110.77 130.47 64.1 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.953 0 CA-C-N 115.517 -0.765 . . . . 0.28 110.135 -178.936 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 525' ' ' CYS . . . . . 0.595 ' SG ' ' HB3' ' A' ' 589' ' ' LEU . 2.9 p -123.45 175.0 7.01 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.93 -0.577 . . . . 1.28 111.0 -177.106 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 69.55 26.34 5.11 Favored 'General case' 0 N--CA 1.469 0.487 0 O-C-N 124.027 0.829 . . . . 1.22 110.312 -174.824 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 79.6 mt -83.43 121.67 76.73 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 115.981 -0.554 . . . . 0.6 111.164 -177.572 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 528' ' ' PRO . . . . . 0.768 ' HD2' ' SG ' ' A' ' 532' ' ' CYS . 17.3 Cg_exo -68.17 132.26 25.59 Favored 'Trans proline' 0 C--O 1.238 0.496 0 C-N-CA 122.474 2.116 . . . . 0.62 111.596 171.696 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -68.07 131.64 45.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.845 0.355 . . . . 2.98 111.509 -179.679 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 77.36 -19.64 3.68 Favored Glycine 0 C--O 1.228 -0.223 0 CA-C-N 115.96 -0.564 . . . . 0.94 113.834 174.583 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 531' ' ' SER . . . . . 0.499 ' HB2' ' HB2' ' A' ' 528' ' ' PRO . 16.1 m -85.46 -32.17 22.43 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 117.139 0.469 . . . . 1.17 110.605 -179.556 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 532' ' ' CYS . . . . . 0.768 ' SG ' ' HD2' ' A' ' 528' ' ' PRO . 36.4 m -85.24 136.11 33.65 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.893 -0.594 . . . . 0.77 109.952 178.27 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 69.9 p -105.93 168.61 9.01 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.523 -0.547 . . . . 0.54 109.523 176.52 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -59.93 -40.67 89.69 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.502 0.668 . . . . 1.32 109.348 179.603 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -62.5 -43.49 98.68 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 114.798 -1.092 . . . . 1.95 112.105 -175.653 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 536' ' ' ASP . . . . . 0.459 ' O ' ' HG ' ' A' ' 540' ' ' LEU . 63.9 m-20 -63.75 -47.42 81.09 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 120.956 0.408 . . . . 0.52 110.898 -175.874 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 537' ' ' VAL . . . . . 0.496 HG13 HD12 ' A' ' 524' ' ' ILE . 59.5 t -62.57 -42.58 96.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.443 -0.799 . . . . 0.25 110.857 -176.53 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 97.8 mt -66.74 -45.58 87.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.012 -0.54 . . . . 0.24 110.978 179.298 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 539' ' ' ASN . . . . . 0.562 ' O ' ' HD3' ' A' ' 543' ' ' PRO . 21.5 m-80 -63.47 -28.31 69.87 Favored 'General case' 0 CA--C 1.518 -0.254 0 N-CA-C 112.563 0.579 . . . . 1.07 112.563 -179.849 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 540' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' A' ' 536' ' ' ASP . 28.7 mt -68.39 -33.51 74.38 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.67 -0.412 . . . . 0.36 111.669 178.804 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -79.25 -33.86 34.5 Favored Glycine 0 CA--C 1.518 0.264 0 C-N-CA 120.22 -0.99 . . . . 0.22 112.674 -178.281 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 542' ' ' LEU . . . . . 0.548 HD12 ' HA ' ' A' ' 539' ' ' ASN . 87.8 mt -52.04 -48.1 89.49 Favored Pre-proline 0 CA--C 1.548 0.873 0 N-CA-C 115.531 1.678 . . . . 0.25 115.531 -175.019 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 543' ' ' PRO . . . . . 0.562 ' HD3' ' O ' ' A' ' 539' ' ' ASN . 17.2 Cg_exo -43.24 -33.53 3.83 Favored 'Trans proline' 0 N--CA 1.484 0.953 0 C-N-CA 123.259 2.639 . . . . 0.19 117.273 -167.27 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 544' ' ' PHE . . . . . 0.495 ' HB2' ' CA ' ' A' ' 572' ' ' MET . 79.0 m-85 -110.02 -17.44 13.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 121.16 -0.963 . . . . 0.35 112.362 179.719 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -128.77 -140.33 4.92 Favored Glycine 0 C--N 1.32 -0.359 0 CA-C-N 116.094 -0.503 . . . . 1.14 112.741 -179.348 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 546' ' ' LYS . . . . . 0.472 ' O ' ' HA ' ' A' ' 563' ' ' MET . 29.9 tptp -151.41 138.73 19.37 Favored 'General case' 0 C--N 1.312 -1.038 0 N-CA-C 109.147 -0.686 . . . . 1.56 109.147 173.369 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 92.3 t -91.88 134.38 30.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 O-C-N 123.229 0.331 . . . . 0.25 110.469 179.461 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 548' ' ' THR . . . . . 0.492 ' CG2' ' HA ' ' A' ' 564' ' ' ALA . 37.4 p -107.33 -40.57 5.34 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.023 -0.535 . . . . 0.37 111.031 176.908 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 72.3 m-20 -147.81 165.65 29.92 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.988 -0.551 . . . . 1.43 109.93 -176.694 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 550' ' ' TYR . . . . . 0.539 ' O ' HD21 ' A' ' 601' ' ' LEU . 11.8 p90 -150.04 150.03 31.17 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 110.139 -0.319 . . . . 0.47 110.139 178.057 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 551' ' ' ILE . . . . . 0.444 HD12 HD22 ' A' ' 599' ' ' LEU . 21.0 mt -137.74 124.07 27.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 109.299 -0.63 . . . . 0.37 109.299 173.407 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 552' ' ' LEU . . . . . . . . . . . . . 84.5 mt -105.09 110.83 23.37 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 116.009 -0.542 . . . . 0.45 110.97 -177.098 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 24.9 mmt -101.47 81.82 2.23 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.782 -0.822 . . . . 1.18 108.782 174.597 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -70.55 -30.18 66.83 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.002 -0.999 . . . . 1.45 110.951 -175.286 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 65.3 p -64.27 -25.92 68.27 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.899 -0.591 . . . . 1.11 111.174 178.914 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 76.6 p -105.96 9.38 32.64 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.3 -0.409 . . . . 0.88 111.367 179.785 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 4.1 t30 56.85 42.64 26.21 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 115.821 -0.627 . . . . 2.35 110.823 -179.337 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 85.8 mm-40 -143.37 149.72 38.1 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.009 0.433 . . . . 2.07 111.369 -174.554 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -130.49 143.8 50.99 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.143 -0.48 . . . . 0.27 110.271 176.083 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 560' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -120.61 129.09 53.59 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.011 -0.54 . . . . 0.33 110.062 178.791 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 15.2 tp -124.29 126.32 45.84 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.013 -0.54 . . . . 0.22 110.123 -175.525 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 562' ' ' GLU . . . . . 0.429 ' HB2' HD12 ' A' ' 599' ' ' LEU . 39.2 tt0 -100.65 138.95 37.01 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.253 -0.431 . . . . 1.85 110.075 -176.945 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 563' ' ' MET . . . . . 0.472 ' HA ' ' O ' ' A' ' 546' ' ' LYS . 21.6 mmt -109.61 164.09 12.86 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.108 -0.496 . . . . 0.96 111.274 -174.402 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 564' ' ' ALA . . . . . 0.492 ' HA ' ' CG2' ' A' ' 548' ' ' THR . . . -65.1 -46.78 79.64 Favored 'General case' 0 C--O 1.237 0.427 0 N-CA-C 111.958 0.355 . . . . 0.36 111.958 -178.35 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -133.61 161.16 35.4 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.878 -0.601 . . . . 1.27 109.545 -178.547 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 566' ' ' THR . . . . . 0.591 ' O ' ' HG2' ' A' ' 570' ' ' GLN . 14.7 t -63.64 -36.9 85.35 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 120.367 -0.533 . . . . 0.52 110.134 179.175 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -65.18 -31.77 73.12 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-O 120.877 0.37 . . . . 1.91 110.651 177.244 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 568' ' ' ALA . . . . . . . . . . . . . . . -62.2 -47.13 85.83 Favored 'General case' 0 N--CA 1.447 -0.625 0 N-CA-C 108.576 -0.898 . . . . 0.28 108.576 172.992 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 569' ' ' ALA . . . . . 0.55 ' HA ' ' SD ' ' A' ' 572' ' ' MET . . . -67.76 -39.29 84.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.042 -0.981 . . . . 0.19 112.028 -177.865 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 570' ' ' GLN . . . . . 0.591 ' HG2' ' O ' ' A' ' 566' ' ' THR . 23.4 mm-40 -62.51 -46.11 89.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.224 0.535 . . . . 1.21 110.055 178.422 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -62.22 -47.78 82.89 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.283 -0.871 . . . . 0.31 113.011 -167.228 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 572' ' ' MET . . . . . 0.55 ' SD ' ' HA ' ' A' ' 569' ' ' ALA . 0.5 OUTLIER -71.31 -41.84 69.41 Favored 'General case' 0 CA--C 1.518 -0.266 0 C-N-CA 119.902 -0.719 . . . . 0.62 110.544 -177.892 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 573' ' ' VAL . . . . . 0.615 HG13 ' HA ' ' A' ' 591' ' ' ARG . 91.3 t -67.37 -37.17 78.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.912 -0.585 . . . . 0.21 112.079 -174.968 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 574' ' ' GLN . . . . . 0.532 ' HG2' ' O ' ' A' ' 570' ' ' GLN . 11.5 mm-40 -59.48 -36.74 76.59 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.693 -0.403 . . . . 1.9 109.944 176.736 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -68.71 -48.61 63.42 Favored 'General case' 0 C--O 1.215 -0.757 0 CA-C-N 116.17 -0.468 . . . . 0.52 110.499 172.113 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 576' ' ' TYR . . . . . 0.47 ' CB ' ' HB ' ' A' ' 590' ' ' ILE . 25.0 m-85 -76.01 -16.87 59.89 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 113.859 1.059 . . . . 0.34 113.859 -171.141 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -78.74 -28.48 44.9 Favored 'General case' 0 C--N 1.315 -0.895 0 C-N-CA 119.655 -0.818 . . . . 1.84 110.179 173.721 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -96.83 -39.76 9.26 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.783 -0.644 . . . . 2.07 111.446 -179.392 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -133.51 80.48 57.09 Favored Pre-proline 0 C--N 1.322 -0.61 0 N-CA-C 108.96 -0.755 . . . . 2.07 108.96 176.406 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_exo -66.89 160.61 46.11 Favored 'Trans proline' 0 CA--C 1.531 0.356 0 C-N-CA 123.788 2.992 . . . . 0.19 113.445 -172.172 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -91.82 153.18 19.74 Favored 'General case' 0 CA--C 1.52 -0.174 0 CA-C-N 115.846 -0.615 . . . . 0.2 110.623 -173.194 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 582' ' ' ILE . . . . . 0.419 HG12 ' HG2' ' A' ' 587' ' ' LYS . 70.0 mt -114.53 134.92 55.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 112.844 0.683 . . . . 0.54 112.844 -169.85 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 583' ' ' ILE . . . . . 0.461 HD12 HD11 ' A' ' 588' ' ' LEU . 16.5 mt -122.37 126.9 74.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.58 -0.736 . . . . 0.73 109.505 168.282 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 59.23 35.75 23.57 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.078 -0.51 . . . . 1.46 111.647 177.351 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 76.8 7.28 86.08 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 121.108 -0.568 . . . . 0.67 113.092 177.207 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -120.75 135.83 55.04 Favored 'General case' 0 N--CA 1.442 -0.836 0 N-CA-C 109.832 -0.432 . . . . 1.93 109.832 179.864 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 587' ' ' LYS . . . . . 0.419 ' HG2' HG12 ' A' ' 582' ' ' ILE . 43.7 mtmt -82.4 127.28 33.11 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.08 -0.509 . . . . 2.12 111.969 -171.348 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 588' ' ' LEU . . . . . 0.461 HD11 HD12 ' A' ' 583' ' ' ILE . 38.4 mt -95.99 137.4 35.11 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.577 -0.738 . . . . 0.28 109.392 175.001 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 589' ' ' LEU . . . . . 0.595 ' HB3' ' SG ' ' A' ' 525' ' ' CYS . 46.6 tp -89.86 109.91 20.89 Favored 'General case' 0 C--N 1.311 -1.07 0 C-N-CA 119.724 -0.79 . . . . 0.38 108.958 173.012 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 590' ' ' ILE . . . . . 0.47 ' HB ' ' CB ' ' A' ' 576' ' ' TYR . 43.0 mt -97.52 115.63 37.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 108.199 -1.037 . . . . 0.17 108.199 177.758 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 591' ' ' ARG . . . . . 0.615 ' HA ' HG13 ' A' ' 573' ' ' VAL . 15.2 ptm180 -146.57 159.29 43.63 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.287 0.565 . . . . 3.0 112.406 -173.17 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 592' ' ' MET . . . . . 0.499 ' HG2' HG11 ' A' ' 573' ' ' VAL . 1.2 mmt -64.19 134.58 55.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.235 -0.893 . . . . 0.33 110.55 -175.331 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 32.3 t -87.9 134.01 33.79 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.07 0.462 . . . . 1.04 110.835 176.786 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 17.3 p -95.96 -0.29 50.89 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.663 0.744 . . . . 1.6 109.781 173.651 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 72.2 mtp180 -95.0 -36.69 11.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.194 -0.912 . . . . 2.94 111.345 -176.913 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 47.6 m-85 -122.22 132.48 54.46 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.721 0.296 . . . . 0.93 111.018 -178.784 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -92.07 -36.58 13.27 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.924 -0.58 . . . . 3.4 109.872 171.171 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -147.67 147.53 30.07 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.371 -0.831 . . . . 2.02 110.218 -179.856 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 599' ' ' LEU . . . . . 0.444 HD22 HD12 ' A' ' 551' ' ' ILE . 92.9 mt -92.49 122.63 35.11 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.021 -0.536 . . . . 1.02 110.417 -179.494 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -99.17 98.12 9.15 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.001 -0.545 . . . . 2.87 110.156 -179.485 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 601' ' ' LEU . . . . . 0.539 HD21 ' O ' ' A' ' 550' ' ' TYR . 34.4 mt -86.69 141.1 29.16 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.558 0.694 . . . . 1.47 111.659 -177.02 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 7.2 tmtm? -72.3 -22.42 61.2 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 114.457 -1.247 . . . . 5.4 109.466 174.152 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -82.97 157.58 66.07 Favored Pre-proline 0 C--N 1.323 -0.556 0 CA-C-N 115.168 -0.923 . . . . 5.81 109.939 178.673 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 604' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -58.14 144.39 95.23 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 122.31 2.007 . . . . 6.24 111.172 174.541 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 605' ' ' GLY . . . . . . . . . . . . . . . -76.04 54.65 3.08 Favored Glycine 0 CA--C 1.521 0.44 0 N-CA-C 114.291 0.477 . . . . 6.9 114.291 -171.102 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 606' ' ' LYS . . . . . 0.434 ' N ' ' HD2' ' A' ' 606' ' ' LYS . 1.1 mptm? 62.64 179.04 0.14 Allowed 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 121.502 0.668 . . . . 8.87 112.614 173.863 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -171.32 -33.49 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.081 -0.963 . . . . 9.21 109.574 176.713 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 42.9 t 63.97 -80.2 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.211 0 CA-C-N 115.449 -0.796 . . . . 9.63 111.366 178.638 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -131.15 -45.77 1.01 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.367 -0.379 . . . . 9.47 110.412 179.223 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -144.18 151.59 39.71 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.073 -0.512 . . . . 9.11 110.34 -179.752 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 48.5 mm -78.62 84.1 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.286 0.565 . . . . 8.31 110.031 179.223 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 612' ' ' ILE . . . . . 0.439 ' CD1' ' HA ' ' A' ' 620' ' ' GLU . 79.1 mt -113.04 95.2 3.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.661 -0.7 . . . . 8.86 109.475 177.842 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -81.2 56.78 2.96 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.918 -0.583 . . . . 10.28 111.144 -175.56 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -146.29 -67.87 0.28 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.683 -0.689 . . . . 10.41 110.365 177.294 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 615' ' ' ILE . . . . . . . . . . . . . 66.7 mt 65.72 -67.12 0.16 Allowed 'Isoleucine or valine' 0 CA--C 1.528 0.103 0 CA-C-N 115.629 -0.714 . . . . 8.61 111.861 -177.808 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -92.89 64.64 4.01 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.28 0.562 . . . . 6.75 109.879 179.378 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 36.0 t 173.61 -43.83 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 114.55 -1.204 . . . . 6.99 108.51 -176.361 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 618' ' ' GLN . . . . . . . . . . . . . 17.0 mm-40 -127.56 129.34 47.16 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.025 -0.989 . . . . 9.26 109.37 176.254 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 619' ' ' ARG . . . . . 0.524 ' NE ' ' HA ' ' A' ' 619' ' ' ARG . 3.2 mmp_? -69.82 141.45 53.3 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.127 0.489 . . . . 12.9 111.318 -177.353 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 620' ' ' GLU . . . . . 0.439 ' HA ' ' CD1' ' A' ' 612' ' ' ILE . 11.5 pt-20 -79.71 129.36 34.41 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.627 -0.715 . . . . 11.34 110.364 178.455 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.854 -0.593 . . . . 11.46 110.871 -177.266 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.648 0 N-CA-C 112.142 -0.383 . . . . 6.72 112.142 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . -143.69 -46.68 0.28 Allowed 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 110.473 -0.195 . . . . 5.43 110.473 -179.065 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 1.3 mpt? 57.95 44.7 19.33 Favored 'General case' 0 C--O 1.239 0.52 0 CA-C-O 121.531 0.682 . . . . 6.23 110.4 -179.263 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -96.85 169.36 9.9 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.011 -0.995 . . . . 2.28 110.266 -179.909 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 514' ' ' GLN . . . . . 0.462 ' HB3' ' O ' ' A' ' 518' ' ' ALA . 45.9 mt-30 63.53 -91.22 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.188 0 O-C-N 123.773 0.67 . . . . 5.14 110.369 -176.779 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 27.5 mmm180 65.91 179.42 0.2 Allowed 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.788 -0.642 . . . . 6.6 111.32 177.703 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 516' ' ' LYS . . . . . 0.585 ' N ' ' HE2' ' A' ' 516' ' ' LYS . 0.4 OUTLIER 62.24 23.14 13.66 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 116.137 -0.483 . . . . 5.25 111.0 -178.985 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . 88.57 -31.04 5.04 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.881 -0.675 . . . . 3.29 113.1 177.436 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 518' ' ' ALA . . . . . 0.462 ' O ' ' HB3' ' A' ' 514' ' ' GLN . . . -125.7 -87.32 0.61 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 111.766 0.284 . . . . 2.38 111.766 -175.84 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 76.92 140.22 1.12 Allowed Glycine 0 CA--C 1.52 0.349 0 C-N-CA 120.839 -0.696 . . . . 1.58 112.026 -174.812 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 82.0 mtt180 -147.1 150.77 35.66 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 122.558 -0.378 . . . . 2.39 110.943 -179.462 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 71.8 t -100.61 134.09 41.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.992 -0.549 . . . . 0.44 110.454 175.475 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 522' ' ' VAL . . . . . . . . . . . . . 58.5 t -109.31 134.27 51.88 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 N-CA-C 109.128 -0.693 . . . . 0.25 109.128 174.978 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 11.6 p-80 -110.73 140.35 45.2 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.357 0.599 . . . . 1.75 110.831 -178.447 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 524' ' ' ILE . . . . . 0.535 HD12 HG13 ' A' ' 537' ' ' VAL . 79.0 mt -112.95 130.03 67.54 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.876 0 CA-C-N 115.285 -0.87 . . . . 0.28 110.735 -177.153 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 45.9 m -114.12 174.44 5.94 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.845 -0.616 . . . . 1.28 110.432 -178.337 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 68.8 27.64 5.68 Favored 'General case' 0 N--CA 1.468 0.441 0 O-C-N 123.593 0.558 . . . . 1.22 111.131 178.192 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 527' ' ' LEU . . . . . 0.508 HD21 HD13 ' A' ' 588' ' ' LEU . 79.2 mt -84.51 120.26 74.0 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 116.217 -0.447 . . . . 0.6 111.107 -177.864 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 528' ' ' PRO . . . . . 0.504 ' HD2' ' SG ' ' A' ' 532' ' ' CYS . 37.1 Cg_endo -69.1 132.88 25.37 Favored 'Trans proline' 0 C--O 1.238 0.485 0 C-N-CA 122.566 2.178 . . . . 0.62 112.059 174.383 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -68.73 132.09 46.26 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.575 -0.739 . . . . 2.98 111.371 -179.386 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 79.38 -18.28 6.98 Favored Glycine 0 CA--C 1.517 0.191 0 CA-C-N 116.172 -0.467 . . . . 0.94 113.594 175.815 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 531' ' ' SER . . . . . 0.535 ' HB3' ' ND2' ' A' ' 584' ' ' ASN . 15.6 m -89.29 -34.33 16.63 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.889 0.375 . . . . 1.17 110.952 -177.757 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 532' ' ' CYS . . . . . 0.504 ' SG ' ' HD2' ' A' ' 528' ' ' PRO . 55.5 m -86.02 137.24 32.85 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.253 -0.43 . . . . 0.77 110.821 -179.934 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 69.6 p -105.78 170.39 7.93 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.677 -0.49 . . . . 0.54 109.677 175.974 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -60.19 -43.42 95.91 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.313 0.578 . . . . 1.32 109.599 178.298 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -59.77 -43.52 94.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 114.932 -1.031 . . . . 1.95 111.661 -177.418 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 536' ' ' ASP . . . . . 0.555 ' O ' ' HG ' ' A' ' 540' ' ' LEU . 38.6 m-20 -59.56 -48.56 81.2 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 120.848 0.356 . . . . 0.52 111.237 -176.283 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 537' ' ' VAL . . . . . 0.535 HG13 HD12 ' A' ' 524' ' ' ILE . 45.7 t -63.01 -45.72 98.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.774 -0.648 . . . . 0.25 110.537 -176.041 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 88.0 mt -66.91 -42.74 89.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.732 -0.667 . . . . 0.24 110.651 -179.812 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 539' ' ' ASN . . . . . 0.522 ' O ' ' HD3' ' A' ' 543' ' ' PRO . 4.8 m-20 -65.36 -28.3 69.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.074 -0.512 . . . . 1.07 112.132 -178.488 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 540' ' ' LEU . . . . . 0.555 ' HG ' ' O ' ' A' ' 536' ' ' ASP . 55.7 mt -73.58 -34.49 65.13 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.856 -0.338 . . . . 0.36 111.817 -179.538 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -77.22 -39.93 25.6 Favored Glycine 0 N--CA 1.453 -0.186 0 C-N-CA 120.287 -0.959 . . . . 0.22 112.329 -179.531 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 542' ' ' LEU . . . . . 0.634 ' HA ' ' O ' ' A' ' 545' ' ' GLY . 81.0 mt -49.01 -44.11 70.33 Favored Pre-proline 0 CA--C 1.546 0.793 0 N-CA-C 115.106 1.521 . . . . 0.25 115.106 -174.28 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 543' ' ' PRO . . . . . 0.522 ' HD3' ' O ' ' A' ' 539' ' ' ASN . 34.3 Cg_exo -47.98 -34.27 22.42 Favored 'Trans proline' 0 C--N 1.358 1.071 0 C-N-CA 122.501 2.134 . . . . 0.19 115.792 -173.553 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 544' ' ' PHE . . . . . 0.521 ' HB2' ' CB ' ' A' ' 572' ' ' MET . 95.5 m-85 -111.44 -18.74 12.8 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 119.824 -0.751 . . . . 0.35 112.854 177.367 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 545' ' ' GLY . . . . . 0.634 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . -148.43 149.61 21.67 Favored Glycine 0 C--O 1.224 -0.482 0 C-N-CA 120.821 -0.704 . . . . 1.14 113.104 178.713 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 546' ' ' LYS . . . . . 0.546 ' HG2' ' O ' ' A' ' 616' ' ' HIS . 23.5 tptm -85.7 137.18 33.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.012 0.434 . . . . 1.56 111.598 -177.937 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 547' ' ' VAL . . . . . 0.522 ' HA ' ' O ' ' A' ' 562' ' ' GLU . 97.4 t -90.1 136.66 23.25 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 CA-C-N 115.182 -0.917 . . . . 0.25 111.215 179.687 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 548' ' ' THR . . . . . 0.53 HG22 ' CG ' ' A' ' 616' ' ' HIS . 26.5 p -104.38 -41.58 5.71 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.75 -0.659 . . . . 0.37 112.044 176.46 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 61.8 m-80 -147.81 165.21 31.25 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.267 -0.642 . . . . 1.43 109.267 -178.231 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 550' ' ' TYR . . . . . 0.481 ' O ' HD21 ' A' ' 601' ' ' LEU . 12.1 p90 -145.16 149.0 34.2 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.706 -0.397 . . . . 0.47 110.859 176.58 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 551' ' ' ILE . . . . . 0.42 HD12 HD22 ' A' ' 599' ' ' LEU . 23.7 mt -136.45 123.54 32.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 109.135 -0.691 . . . . 0.37 109.135 174.215 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 552' ' ' LEU . . . . . . . . . . . . . 84.1 mt -106.64 111.31 23.8 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 116.028 -0.533 . . . . 0.45 111.387 -176.484 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 26.2 mmt -107.93 83.89 1.87 Allowed 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.39 -0.596 . . . . 1.18 109.39 174.121 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -68.32 -30.75 69.81 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.524 -0.762 . . . . 1.45 110.597 -176.591 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 68.4 p -60.65 -31.52 70.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.966 -0.561 . . . . 1.11 111.261 179.144 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 70.8 p -98.39 9.23 43.57 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.073 0.463 . . . . 0.88 110.984 178.371 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 58.4 m-20 55.11 40.37 31.83 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 115.195 -0.911 . . . . 2.35 111.116 178.045 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -148.86 162.13 40.44 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.009 0.433 . . . . 2.07 110.601 -176.55 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -137.63 144.47 41.92 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.973 -0.558 . . . . 0.27 110.347 179.943 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 560' ' ' PHE . . . . . 0.424 ' HB3' HD21 ' A' ' 599' ' ' LEU . 90.6 m-85 -114.45 126.84 55.42 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.181 -0.463 . . . . 0.33 109.856 178.239 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 15.3 tp -126.27 126.44 44.0 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.366 -0.605 . . . . 0.22 109.366 -176.126 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 562' ' ' GLU . . . . . 0.522 ' O ' ' HA ' ' A' ' 547' ' ' VAL . 36.0 tt0 -99.45 138.76 36.08 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.555 0.217 . . . . 1.85 110.921 -173.013 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 563' ' ' MET . . . . . 0.468 ' HA ' ' O ' ' A' ' 546' ' ' LYS . 15.7 mmt -113.62 137.16 51.98 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.018 -0.537 . . . . 0.96 110.71 -176.1 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -65.7 -29.78 70.37 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-N 115.155 -0.93 . . . . 0.36 111.965 -176.546 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 565' ' ' TYR . . . . . 0.437 ' CE2' ' HG2' ' A' ' 516' ' ' LYS . 54.4 m-85 -121.62 141.87 50.68 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 116.119 -0.491 . . . . 1.27 109.819 -176.437 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 566' ' ' THR . . . . . 0.448 ' O ' ' HG3' ' A' ' 570' ' ' GLN . 8.0 t -64.33 -35.53 81.16 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.542 -0.54 . . . . 0.52 109.542 175.649 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -66.15 -38.6 88.5 Favored 'General case' 0 CA--C 1.515 -0.398 0 CA-C-N 115.879 -0.6 . . . . 1.91 110.496 175.973 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 568' ' ' ALA . . . . . 0.586 ' HB1' ' CA ' ' A' ' 545' ' ' GLY . . . -62.18 -44.39 96.71 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.652 -0.704 . . . . 0.28 110.422 179.469 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 569' ' ' ALA . . . . . 0.442 ' HB1' ' HE1' ' A' ' 592' ' ' MET . . . -67.75 -46.44 72.09 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.69 -0.686 . . . . 0.19 111.509 -179.313 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 570' ' ' GLN . . . . . 0.517 ' O ' ' HG2' ' A' ' 574' ' ' GLN . 76.3 mt-30 -68.14 -46.0 72.03 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.415 -0.357 . . . . 1.21 111.545 -176.828 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -62.25 -42.17 99.09 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-N 116.309 -0.405 . . . . 0.31 111.602 -174.301 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 572' ' ' MET . . . . . 0.521 ' CB ' ' HB2' ' A' ' 544' ' ' PHE . 15.8 ptp -65.88 -45.06 83.47 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 116.341 -0.39 . . . . 0.62 110.307 -178.978 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 573' ' ' VAL . . . . . 0.647 HG13 ' HA ' ' A' ' 591' ' ' ARG . 98.1 t -66.94 -36.84 78.15 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.513 0 CA-C-N 116.246 -0.433 . . . . 0.21 111.504 -177.059 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 574' ' ' GLN . . . . . 0.517 ' HG2' ' O ' ' A' ' 570' ' ' GLN . 15.9 mm100 -58.85 -38.12 78.01 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.511 -0.552 . . . . 1.9 109.511 178.127 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 72.5 t80 -69.38 -49.65 53.45 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.794 -0.639 . . . . 0.52 111.079 172.984 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 576' ' ' TYR . . . . . 0.476 ' CE1' ' HB2' ' A' ' 572' ' ' MET . 20.6 m-85 -73.4 -16.73 61.32 Favored 'General case' 0 C--O 1.222 -0.36 0 N-CA-C 113.012 0.745 . . . . 0.34 113.012 -172.109 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 577' ' ' GLN . . . . . 0.434 ' OE1' ' HB3' ' A' ' 591' ' ' ARG . 15.3 mm100 -76.14 -29.26 57.73 Favored 'General case' 0 C--N 1.319 -0.723 0 O-C-N 121.872 -0.517 . . . . 1.84 110.747 173.909 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -98.06 -39.54 8.87 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.86 0.362 . . . . 2.07 111.258 178.622 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 59.2 mtpt -130.0 80.57 70.84 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-N 116.166 -0.47 . . . . 2.07 110.125 177.112 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_exo -71.2 160.1 50.02 Favored 'Trans proline' 0 C--O 1.233 0.266 0 C-N-CA 123.553 2.836 . . . . 0.19 112.195 -176.005 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -92.31 152.58 19.72 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.353 -0.385 . . . . 0.2 110.188 -175.432 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 60.7 mt -119.6 129.67 75.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 N-CA-C 111.991 0.367 . . . . 0.54 111.991 -170.327 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 583' ' ' ILE . . . . . 0.588 HD12 HD11 ' A' ' 588' ' ' LEU . 31.7 mt -121.66 120.63 62.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.052 -0.522 . . . . 0.73 110.582 174.544 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 584' ' ' ASN . . . . . 0.535 ' ND2' ' HB3' ' A' ' 531' ' ' SER . 3.9 m-20 59.32 34.28 22.85 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 116.245 -0.434 . . . . 1.46 111.162 177.602 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 81.78 4.39 90.34 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.785 -0.722 . . . . 0.67 112.606 179.682 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 42.2 mm-40 -102.45 125.9 49.31 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.999 -0.371 . . . . 1.93 109.999 178.095 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 61.4 mttp -79.62 112.32 16.77 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.936 -0.394 . . . . 2.12 109.936 178.521 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 588' ' ' LEU . . . . . 0.588 HD11 HD12 ' A' ' 583' ' ' ILE . 22.9 mt -85.82 121.06 27.94 Favored 'General case' 0 CA--C 1.501 -0.91 0 CA-C-N 115.799 -0.637 . . . . 0.28 109.767 179.402 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 24.9 tp -84.65 107.34 16.81 Favored 'General case' 0 N--CA 1.43 -1.428 0 N-CA-C 108.128 -1.064 . . . . 0.38 108.128 174.747 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 590' ' ' ILE . . . . . 0.436 ' HB ' ' CB ' ' A' ' 576' ' ' TYR . 34.8 mt -96.3 116.12 37.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 108.286 -1.005 . . . . 0.17 108.286 179.697 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 591' ' ' ARG . . . . . 0.647 ' HA ' HG13 ' A' ' 573' ' ' VAL . 26.6 ptt180 -142.37 158.97 43.13 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 113.775 1.028 . . . . 3.0 113.775 -172.143 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 592' ' ' MET . . . . . 0.622 ' HG2' HG11 ' A' ' 573' ' ' VAL . 0.1 OUTLIER -65.34 131.85 47.51 Favored 'General case' 0 N--CA 1.461 0.113 0 CA-C-N 114.315 -1.311 . . . . 0.33 111.286 -174.736 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 20.6 m -87.64 128.65 35.28 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.77 0.319 . . . . 1.04 111.078 176.32 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 11.6 p -98.89 -17.77 18.21 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.166 0.508 . . . . 1.6 109.974 171.531 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 76.2 mtp180 -79.32 -41.98 26.75 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.717 -0.674 . . . . 2.94 111.133 -179.874 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -109.88 129.69 55.62 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.903 -0.319 . . . . 0.93 110.673 -178.011 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp -95.17 -39.71 9.96 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.077 -0.51 . . . . 3.4 110.284 168.33 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 598' ' ' GLU . . . . . 0.435 ' HB3' ' CD ' ' A' ' 514' ' ' GLN . 0.0 OUTLIER -134.63 145.79 48.94 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.545 -0.752 . . . . 2.02 111.536 -175.778 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 599' ' ' LEU . . . . . 0.424 HD21 ' HB3' ' A' ' 560' ' ' PHE . 94.8 mt -95.35 103.61 15.48 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.664 -0.698 . . . . 1.02 110.084 171.225 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -86.36 83.95 7.56 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 116.122 -0.49 . . . . 2.87 110.43 -177.261 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 601' ' ' LEU . . . . . 0.481 HD21 ' O ' ' A' ' 550' ' ' TYR . 58.1 mt -66.64 97.72 0.47 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.86 -0.609 . . . . 1.47 110.634 178.505 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.54 -10.38 56.06 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.782 -0.644 . . . . 5.4 109.739 177.104 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 47.3 mtmt -80.75 131.34 60.86 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 115.449 -0.796 . . . . 5.81 109.858 175.758 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 604' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -73.23 104.24 1.75 Allowed 'Trans proline' 0 N--CA 1.461 -0.431 0 C-N-CA 122.46 2.107 . . . . 6.24 111.672 176.444 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 605' ' ' GLY . . . . . . . . . . . . . . . -85.71 -97.29 0.75 Allowed Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.758 -0.734 . . . . 6.9 112.177 -179.431 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 30.9 mmtp 57.83 88.73 0.06 Allowed 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 121.409 0.623 . . . . 8.87 111.526 179.644 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -95.08 165.77 12.26 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.384 -0.826 . . . . 9.21 109.977 -178.919 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 46.2 t -50.14 -46.85 24.87 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 CA-C-O 121.088 0.471 . . . . 9.63 109.893 174.585 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -72.18 110.61 6.75 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 109.015 -0.735 . . . . 9.47 109.015 173.345 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -46.15 107.24 0.1 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.317 1.011 . . . . 9.11 113.261 -172.97 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 61.3 mt -79.29 96.64 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 N-CA-C 108.495 -0.928 . . . . 8.31 108.495 171.82 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 612' ' ' ILE . . . . . 0.49 HD11 ' HG3' ' A' ' 621' ' ' ARG . 34.5 mt -81.42 102.87 7.73 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.732 0 CA-C-N 116.089 -0.505 . . . . 8.86 110.243 -174.168 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -85.37 -16.67 39.11 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.754 -0.657 . . . . 10.28 110.422 -178.598 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -82.46 -77.99 0.22 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.025 -0.534 . . . . 10.41 110.04 177.269 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 615' ' ' ILE . . . . . . . . . . . . . 68.5 mt -77.32 108.46 10.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 121.059 0.457 . . . . 8.61 110.161 177.547 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 616' ' ' HIS . . . . . 0.546 ' O ' ' HG2' ' A' ' 546' ' ' LYS . 65.7 m-70 -95.64 0.78 53.15 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.393 -0.367 . . . . 6.75 111.275 -179.522 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 5.6 m -83.23 170.48 14.62 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.724 -0.473 . . . . 6.99 109.724 175.602 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 618' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 63.47 -171.44 0.17 Allowed 'General case' 0 CA--C 1.53 0.202 0 CA-C-O 121.258 0.551 . . . . 9.26 111.707 175.748 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 24.5 mmt85 -121.89 84.01 2.18 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.702 -0.681 . . . . 12.9 109.321 177.641 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 620' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 64.26 -177.01 0.16 Allowed 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.702 -0.681 . . . . 11.34 110.49 -174.356 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 621' ' ' ARG . . . . . 0.49 ' HG3' HD11 ' A' ' 612' ' ' ILE . 81.2 mtt180 . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.833 -0.603 . . . . 11.46 109.887 179.769 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.624 0 N-CA-C 111.752 -0.539 . . . . 6.72 111.752 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . -78.37 88.79 4.37 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.897 0.379 . . . . 5.43 110.278 179.917 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 19.7 ptp -154.49 172.04 18.43 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.992 -0.549 . . . . 6.23 110.253 -178.046 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -98.47 -137.11 0.29 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.335 -0.393 . . . . 2.28 111.47 -177.67 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 514' ' ' GLN . . . . . 0.623 ' HG2' ' O ' ' A' ' 518' ' ' ALA . 25.9 mt-30 69.29 7.33 6.17 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 123.377 0.671 . . . . 5.14 110.782 -175.944 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 32.6 mmt180 -66.56 -40.05 88.82 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.786 -0.643 . . . . 6.6 110.764 -178.181 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 516' ' ' LYS . . . . . 0.59 ' HB2' ' O ' ' A' ' 564' ' ' ALA . 12.7 mptt -85.66 -0.41 55.07 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.644 -0.707 . . . . 5.25 111.075 178.624 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . 136.62 -91.13 0.22 Allowed Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.306 -0.949 . . . . 3.29 113.041 177.964 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 518' ' ' ALA . . . . . 0.623 ' O ' ' HG2' ' A' ' 514' ' ' GLN . . . -74.59 -65.44 0.86 Allowed 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 111.991 0.367 . . . . 2.38 111.991 -173.313 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 72.1 101.4 0.06 OUTLIER Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.524 -0.846 . . . . 1.58 111.206 -172.848 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 520' ' ' ARG . . . . . 0.668 ' HA ' ' O ' ' A' ' 597' ' ' LYS . 58.9 mtp180 -136.1 141.33 44.18 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.965 0.412 . . . . 2.39 110.405 -178.532 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 521' ' ' VAL . . . . . 0.538 HG22 ' HG ' ' A' ' 599' ' ' LEU . 65.4 t -95.21 134.44 32.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.657 -0.701 . . . . 0.44 111.715 -174.312 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 522' ' ' VAL . . . . . . . . . . . . . 95.7 t -104.68 134.37 46.24 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-N 114.954 -1.021 . . . . 0.25 108.939 172.596 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 523' ' ' HIS . . . . . 0.421 ' CE1' ' HG3' ' A' ' 591' ' ' ARG . 5.8 p-80 -108.5 136.89 47.36 Favored 'General case' 0 C--N 1.318 -0.765 0 C-N-CA 120.185 -0.606 . . . . 1.75 109.709 179.582 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 524' ' ' ILE . . . . . 0.568 HD12 HG13 ' A' ' 537' ' ' VAL . 76.0 mt -113.99 132.32 63.37 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.949 0 CA-C-N 115.859 -0.61 . . . . 0.28 110.293 -179.237 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 10.9 p -126.63 176.6 7.09 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.704 -0.68 . . . . 1.28 110.426 -176.943 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 69.61 26.69 4.96 Favored 'General case' 0 N--CA 1.466 0.348 0 O-C-N 123.78 0.675 . . . . 1.22 110.381 -177.501 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 87.7 mt -85.54 120.9 73.46 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 115.774 -0.648 . . . . 0.6 110.844 -176.289 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 528' ' ' PRO . . . . . 0.656 ' HD2' ' SG ' ' A' ' 532' ' ' CYS . 16.9 Cg_exo -68.67 131.08 22.0 Favored 'Trans proline' 0 C--O 1.236 0.412 0 C-N-CA 122.214 1.942 . . . . 0.62 111.512 172.295 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -69.4 134.93 49.6 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.847 -0.615 . . . . 2.98 111.433 179.844 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 84.6 -18.34 25.48 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 121.16 -0.543 . . . . 0.94 112.954 176.781 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 5.8 m -94.51 -35.29 12.35 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.108 0.48 . . . . 1.17 110.871 -179.198 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 532' ' ' CYS . . . . . 0.656 ' SG ' ' HD2' ' A' ' 528' ' ' PRO . 35.9 m -86.19 130.32 34.56 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.854 -0.612 . . . . 0.77 110.894 -177.998 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 80.6 p -108.19 169.99 8.29 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.556 -0.535 . . . . 0.54 109.556 174.586 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 534' ' ' GLU . . . . . 0.428 ' HG3' ' N ' ' A' ' 535' ' ' ASN . 7.9 pt-20 -61.37 -37.9 85.07 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.936 -0.765 . . . . 1.32 108.936 174.15 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 535' ' ' ASN . . . . . 0.428 ' N ' ' HG3' ' A' ' 534' ' ' GLU . 4.4 m-20 -59.31 -44.61 92.53 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.148 -0.933 . . . . 1.95 110.712 179.612 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 536' ' ' ASP . . . . . 0.686 ' O ' ' HG ' ' A' ' 540' ' ' LEU . 30.3 m-20 -68.23 -48.07 66.11 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.514 -0.474 . . . . 0.52 111.121 -177.586 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 537' ' ' VAL . . . . . 0.568 HG13 HD12 ' A' ' 524' ' ' ILE . 77.2 t -63.56 -46.01 96.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.146 -0.479 . . . . 0.25 110.901 -176.717 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 97.7 mt -67.49 -45.35 85.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.01 -0.541 . . . . 0.24 111.25 -179.805 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 539' ' ' ASN . . . . . 0.555 ' O ' ' HD3' ' A' ' 543' ' ' PRO . 79.8 m-20 -62.77 -27.63 69.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.29 -0.414 . . . . 1.07 112.036 -178.461 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 540' ' ' LEU . . . . . 0.686 ' HG ' ' O ' ' A' ' 536' ' ' ASP . 45.5 mt -71.17 -35.65 71.71 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 111.992 0.367 . . . . 0.36 111.992 -179.631 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -79.25 -34.36 33.07 Favored Glycine 0 N--CA 1.455 -0.069 0 C-N-CA 120.336 -0.935 . . . . 0.22 112.199 -179.12 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 542' ' ' LEU . . . . . 0.553 ' HA ' ' O ' ' A' ' 545' ' ' GLY . 62.2 mt -48.33 -46.4 67.96 Favored Pre-proline 0 CA--C 1.545 0.783 0 N-CA-C 114.87 1.433 . . . . 0.25 114.87 -176.164 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 543' ' ' PRO . . . . . 0.555 ' HD3' ' O ' ' A' ' 539' ' ' ASN . 41.7 Cg_exo -47.51 -34.05 19.01 Favored 'Trans proline' 0 C--N 1.357 1.021 0 C-N-CA 122.498 2.132 . . . . 0.19 115.79 -172.9 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 544' ' ' PHE . . . . . 0.436 ' HB2' ' CB ' ' A' ' 572' ' ' MET . 95.7 m-85 -111.12 -17.81 13.15 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 113.059 0.762 . . . . 0.35 113.059 178.527 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 545' ' ' GLY . . . . . 0.553 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . -150.76 144.32 11.67 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.952 -0.642 . . . . 1.14 112.295 176.153 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 55.8 tttp -81.74 143.98 31.44 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.129 0.49 . . . . 1.56 111.499 -177.408 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 83.3 t -97.06 136.68 26.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 114.998 -1.001 . . . . 0.25 110.883 -178.553 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 548' ' ' THR . . . . . 0.591 ' OG1' ' HG3' ' A' ' 562' ' ' GLU . 75.9 p -106.15 -38.52 6.25 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.218 -0.446 . . . . 0.37 110.978 177.83 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 46.7 m-80 -147.64 166.61 26.89 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 109.65 -0.5 . . . . 1.43 109.65 -176.546 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 10.1 p90 -152.05 151.47 31.16 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.895 -0.322 . . . . 0.47 111.05 179.282 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 551' ' ' ILE . . . . . 0.526 HD12 HD22 ' A' ' 599' ' ' LEU . 19.7 mt -136.22 124.22 35.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.12 -0.491 . . . . 0.37 109.691 174.043 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 552' ' ' LEU . . . . . . . . . . . . . 68.5 mt -109.02 111.67 23.44 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.828 0.347 . . . . 0.45 111.333 -179.371 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 62.1 mtt -108.89 86.96 2.38 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.235 0.54 . . . . 1.18 110.123 175.09 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 554' ' ' LYS . . . . . 0.417 ' HD2' ' H ' ' A' ' 554' ' ' LYS . 0.1 OUTLIER -68.22 -30.08 69.06 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.862 -0.608 . . . . 1.45 110.397 -177.133 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 70.1 p -63.32 -34.76 78.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.704 -0.68 . . . . 1.11 111.783 -178.488 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 556' ' ' THR . . . . . 0.401 ' O ' ' HG3' ' A' ' 558' ' ' GLN . 76.0 p -98.06 3.51 49.3 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.999 0.428 . . . . 0.88 110.832 -178.729 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 57.87 42.4 23.19 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.117 -0.947 . . . . 2.35 110.728 -178.121 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 558' ' ' GLN . . . . . 0.401 ' HG3' ' O ' ' A' ' 556' ' ' THR . 49.1 mt-30 -141.87 148.97 39.62 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.207 -0.451 . . . . 2.07 110.557 -176.803 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -129.93 143.56 50.87 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 116.304 -0.407 . . . . 0.27 110.085 176.946 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 560' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -120.79 126.4 50.03 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.198 -0.455 . . . . 0.33 109.871 -179.974 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 14.2 tp -121.84 125.41 46.4 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.847 -0.615 . . . . 0.22 109.776 -175.696 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 562' ' ' GLU . . . . . 0.591 ' HG3' ' OG1' ' A' ' 548' ' ' THR . 8.8 tp10 -100.01 137.73 38.06 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.092 -0.504 . . . . 1.85 110.326 -174.201 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 563' ' ' MET . . . . . . . . . . . . . 19.3 mmt -113.38 161.71 16.96 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.252 0.549 . . . . 0.96 111.795 -169.901 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 564' ' ' ALA . . . . . 0.59 ' O ' ' HB2' ' A' ' 516' ' ' LYS . . . -75.88 -46.71 28.73 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.743 -0.662 . . . . 0.36 111.642 -179.11 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -120.71 155.76 33.2 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.434 -0.348 . . . . 1.27 110.157 -176.558 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 566' ' ' THR . . . . . 0.613 ' HB ' ' CB ' ' A' ' 518' ' ' ALA . 11.4 t -63.49 -39.59 94.86 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 110.108 -0.33 . . . . 0.52 110.108 175.163 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -66.43 -33.81 76.55 Favored 'General case' 0 C--O 1.224 -0.284 0 CA-C-N 116.32 -0.4 . . . . 1.91 110.665 178.278 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 568' ' ' ALA . . . . . 0.4 ' HB1' ' CA ' ' A' ' 545' ' ' GLY . . . -62.04 -45.65 92.63 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.013 0.435 . . . . 0.28 110.191 179.446 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -68.29 -46.45 70.3 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.535 -0.757 . . . . 0.19 111.62 -178.965 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 570' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -68.2 -45.97 71.92 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.61 -0.268 . . . . 1.21 111.403 -177.373 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -62.31 -42.16 99.14 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-N 116.308 -0.405 . . . . 0.31 111.386 -175.636 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 572' ' ' MET . . . . . 0.496 ' HG3' ' N ' ' A' ' 573' ' ' VAL . 16.3 ptp -66.76 -46.31 75.77 Favored 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 120.618 -0.433 . . . . 0.62 110.043 179.367 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 573' ' ' VAL . . . . . 0.784 HG13 ' HA ' ' A' ' 591' ' ' ARG . 45.8 t -66.93 -42.66 89.14 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.527 0 N-CA-C 112.175 0.435 . . . . 0.21 112.175 -173.985 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -61.35 -35.41 77.35 Favored 'General case' 0 C--N 1.319 -0.728 0 C-N-CA 120.266 -0.574 . . . . 1.9 110.042 178.039 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 55.9 t80 -66.43 -46.39 76.63 Favored 'General case' 0 C--O 1.216 -0.681 0 CA-C-N 116.018 -0.537 . . . . 0.52 110.299 172.971 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 576' ' ' TYR . . . . . 0.454 ' CE1' ' HB2' ' A' ' 572' ' ' MET . 21.1 m-85 -76.72 -17.34 59.15 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 112.629 0.603 . . . . 0.34 112.629 -175.59 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -78.51 -27.22 46.07 Favored 'General case' 0 C--N 1.32 -0.709 0 O-C-N 121.86 -0.525 . . . . 1.84 110.217 175.307 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -97.74 -39.15 9.19 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.997 -0.547 . . . . 2.07 110.873 177.429 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -130.61 82.42 64.92 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 115.732 -0.667 . . . . 2.07 109.519 176.918 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_exo -72.45 160.64 46.31 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 123.68 2.92 . . . . 0.19 113.223 -172.89 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 581' ' ' ALA . . . . . 0.451 ' HB1' HD22 ' A' ' 540' ' ' LEU . . . -92.49 152.9 19.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.796 -0.638 . . . . 0.2 110.415 -175.356 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 582' ' ' ILE . . . . . 0.439 HG12 ' HG2' ' A' ' 587' ' ' LYS . 33.9 mt -120.93 133.0 69.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 112.512 0.56 . . . . 0.54 112.512 -168.212 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 583' ' ' ILE . . . . . 0.452 HD12 HD11 ' A' ' 588' ' ' LEU . 42.2 mt -122.19 119.55 58.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 115.993 -0.549 . . . . 0.73 110.055 171.248 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 56.16 35.6 25.97 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 112.132 0.419 . . . . 1.46 112.132 177.396 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 85.71 3.48 86.03 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.611 -0.804 . . . . 0.67 112.751 178.364 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 586' ' ' GLU . . . . . 0.403 ' O ' ' HA ' ' A' ' 582' ' ' ILE . 20.0 mm-40 -102.14 125.69 48.9 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.718 -0.475 . . . . 1.93 109.718 177.402 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 587' ' ' LYS . . . . . 0.439 ' HG2' HG12 ' A' ' 582' ' ' ILE . 38.1 mtmm -86.09 107.61 17.91 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.809 -0.441 . . . . 2.12 109.809 179.189 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 588' ' ' LEU . . . . . 0.452 HD11 HD12 ' A' ' 583' ' ' ILE . 38.8 mt -81.83 131.4 35.26 Favored 'General case' 0 CA--C 1.505 -0.762 0 CA-C-N 116.022 -0.535 . . . . 0.28 110.113 -178.027 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 34.6 tp -83.64 107.62 16.2 Favored 'General case' 0 N--CA 1.434 -1.24 0 N-CA-C 108.414 -0.958 . . . . 0.38 108.414 171.53 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 590' ' ' ILE . . . . . . . . . . . . . 59.6 mt -95.88 115.18 34.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 N-CA-C 107.791 -1.188 . . . . 0.17 107.791 176.141 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 591' ' ' ARG . . . . . 0.784 ' HA ' HG13 ' A' ' 573' ' ' VAL . 20.4 ptt180 -143.88 161.39 38.81 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.708 0.633 . . . . 3.0 112.708 -171.871 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 592' ' ' MET . . . . . 0.657 ' HG2' HG11 ' A' ' 573' ' ' VAL . 0.3 OUTLIER -63.28 139.27 58.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.377 -0.828 . . . . 0.33 110.63 -174.429 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 31.3 t -87.16 127.05 35.15 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 110.053 -0.351 . . . . 1.04 110.053 177.373 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 21.1 p -93.71 -18.25 22.32 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.114 -0.494 . . . . 1.6 110.761 178.076 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -84.04 -41.81 16.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.044 -0.525 . . . . 2.94 110.972 -178.309 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -108.06 133.39 52.42 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 110.032 -0.358 . . . . 0.93 110.032 -179.44 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 597' ' ' LYS . . . . . 0.668 ' O ' ' HA ' ' A' ' 520' ' ' ARG . 12.2 ttpp -91.85 -41.64 10.52 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.402 -0.592 . . . . 3.4 109.402 172.568 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 598' ' ' GLU . . . . . 0.446 ' HA ' ' OE2' ' A' ' 562' ' ' GLU . 0.0 OUTLIER -146.19 149.9 34.83 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.575 -0.739 . . . . 2.02 110.419 179.682 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 599' ' ' LEU . . . . . 0.538 ' HG ' HG22 ' A' ' 521' ' ' VAL . 37.0 mt -92.37 115.39 28.05 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.192 0.52 . . . . 1.02 112.196 -177.778 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 70.0 mt-30 -102.97 103.34 13.44 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 107.736 -1.209 . . . . 2.87 107.736 168.371 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 44.2 mt -63.93 143.15 58.08 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.399 0.619 . . . . 1.47 111.86 -171.279 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 55.3 mttm -100.89 6.4 43.66 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.111 -0.95 . . . . 5.4 109.702 179.819 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 28.6 mtpp -108.47 148.45 37.7 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-N 115.464 -0.789 . . . . 5.81 109.831 -178.45 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 604' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -74.72 64.49 5.78 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.992 2.461 . . . . 6.24 113.179 -176.728 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 605' ' ' GLY . . . . . 0.436 ' O ' ' HB2' ' A' ' 606' ' ' LYS . . . -154.87 171.9 33.22 Favored Glycine 0 N--CA 1.447 -0.615 0 N-CA-C 111.038 -0.825 . . . . 6.9 111.038 176.896 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 606' ' ' LYS . . . . . 0.436 ' HB2' ' O ' ' A' ' 605' ' ' GLY . 68.8 mmtt 71.56 143.89 0.06 Allowed 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 121.421 0.629 . . . . 8.87 112.535 178.522 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 5.7 t30 60.95 80.66 0.21 Allowed 'General case' 0 C--O 1.233 0.234 0 CA-C-N 114.832 -1.076 . . . . 9.21 111.776 173.818 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 59.1 t -69.71 -49.12 60.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 108.975 -0.75 . . . . 9.63 108.975 172.997 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -130.61 -60.25 0.99 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.25 -0.887 . . . . 9.47 109.243 171.395 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -171.86 127.32 0.6 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.504 -0.771 . . . . 9.11 110.206 176.826 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 37.2 mm -80.19 77.49 0.93 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.505 0 CA-C-O 121.237 0.541 . . . . 8.31 109.738 177.62 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 612' ' ' ILE . . . . . . . . . . . . . 82.7 mt -122.48 96.71 4.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.77 -0.65 . . . . 8.86 110.706 -178.735 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -109.01 -8.66 15.16 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.134 -0.484 . . . . 10.28 109.969 178.285 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 36.5 m-20 -150.72 109.07 3.77 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 108.252 -1.018 . . . . 10.41 108.252 -179.353 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 615' ' ' ILE . . . . . . . . . . . . . 42.6 mm -59.91 100.97 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.29 0 CA-C-N 115.05 -0.977 . . . . 8.61 111.462 -178.659 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 57.8 m-70 -119.25 -1.87 10.76 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.411 -0.359 . . . . 6.75 110.851 175.093 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 33.3 t -171.74 -66.53 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.922 0.391 . . . . 6.99 110.704 -179.394 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 618' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -85.26 146.57 26.99 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.127 -0.488 . . . . 9.26 110.554 -179.561 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 619' ' ' ARG . . . . . 0.562 ' HD2' ' N ' ' A' ' 619' ' ' ARG . 4.2 mpt_? -83.36 145.21 29.16 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.933 -0.576 . . . . 12.9 110.112 177.007 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 620' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -68.24 156.27 37.98 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.575 -0.739 . . . . 11.34 111.404 -172.785 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 12.6 mmm180 . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.697 -0.668 . . . . 11.46 109.701 -179.276 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 521' ' ' VAL . . . . . 0.485 HG22 ' HG ' ' A' ' 599' ' ' LEU . 99.3 t . . . . . 0 N--CA 1.446 -0.663 0 CA-C-O 121.23 0.538 . . . . 0.44 110.476 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 522' ' ' VAL . . . . . 0.419 HG13 ' O ' ' A' ' 591' ' ' ARG . 83.5 t -103.95 132.29 50.75 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.924 0 CA-C-N 115.448 -0.797 . . . . 0.25 109.409 172.793 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 -106.0 132.43 52.1 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.347 -0.612 . . . . 1.75 109.347 178.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 524' ' ' ILE . . . . . 0.518 HD12 HG13 ' A' ' 537' ' ' VAL . 77.1 mt -113.57 129.65 69.0 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-N 115.859 -0.609 . . . . 0.28 110.409 -177.763 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 525' ' ' CYS . . . . . 0.466 ' SG ' ' HB3' ' A' ' 589' ' ' LEU . 25.1 p -119.01 176.35 5.33 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.674 -0.694 . . . . 1.28 110.545 -176.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 17.4 m120 69.37 26.88 5.17 Favored 'General case' 0 N--CA 1.466 0.346 0 O-C-N 123.779 0.674 . . . . 1.22 110.681 179.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 80.6 mt -87.53 120.12 70.98 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 115.693 -0.685 . . . . 0.6 110.875 -178.114 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 528' ' ' PRO . . . . . 0.725 ' HD2' ' SG ' ' A' ' 532' ' ' CYS . 11.3 Cg_exo -70.83 129.91 17.2 Favored 'Trans proline' 0 N--CA 1.458 -0.612 0 C-N-CA 122.162 1.908 . . . . 0.62 111.52 171.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 529' ' ' GLU . . . . . 0.501 ' CD ' ' H ' ' A' ' 529' ' ' GLU . 1.5 pm0 -70.32 129.11 38.43 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.859 0.362 . . . . 2.98 110.562 175.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 90.28 -18.78 46.99 Favored Glycine 0 N--CA 1.448 -0.526 0 CA-C-N 116.049 -0.523 . . . . 0.94 113.252 177.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 531' ' ' SER . . . . . 0.443 ' HB2' ' HB2' ' A' ' 528' ' ' PRO . 14.3 m -95.74 -36.9 11.01 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 117.308 0.554 . . . . 1.17 111.028 -178.101 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 532' ' ' CYS . . . . . 0.725 ' SG ' ' HD2' ' A' ' 528' ' ' PRO . 59.8 m -87.55 142.96 27.45 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.188 -0.46 . . . . 0.77 110.088 175.766 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 66.9 p -105.53 170.08 8.1 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.267 -0.642 . . . . 0.54 109.267 173.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -57.67 -38.33 74.94 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.274 0.559 . . . . 1.32 109.814 177.158 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 35.0 m-80 -64.45 -42.97 95.66 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-N 115.231 -0.895 . . . . 1.95 111.329 -176.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 536' ' ' ASP . . . . . 0.545 ' O ' ' HG ' ' A' ' 540' ' ' LEU . 45.3 m-20 -58.86 -46.06 88.67 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 120.826 0.346 . . . . 0.52 111.085 -175.537 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 537' ' ' VAL . . . . . 0.518 HG13 HD12 ' A' ' 524' ' ' ILE . 45.7 t -62.01 -45.49 98.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.719 -0.673 . . . . 0.25 110.345 -178.101 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 84.1 mt -67.27 -45.94 85.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.683 -0.69 . . . . 0.24 110.795 179.097 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 539' ' ' ASN . . . . . 0.537 ' O ' ' HD3' ' A' ' 543' ' ' PRO . 95.9 m-20 -64.97 -27.45 68.84 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.65 -0.705 . . . . 1.07 111.822 -176.716 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 540' ' ' LEU . . . . . 0.545 ' HG ' ' O ' ' A' ' 536' ' ' ASP . 71.5 mt -74.48 -30.47 61.85 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 111.705 0.261 . . . . 0.36 111.705 177.463 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -79.45 -40.17 16.39 Favored Glycine 0 CA--C 1.519 0.299 0 C-N-CA 120.321 -0.942 . . . . 0.22 112.167 179.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 542' ' ' LEU . . . . . 0.558 ' HA ' ' O ' ' A' ' 545' ' ' GLY . 87.3 mt -47.89 -45.77 62.24 Favored Pre-proline 0 CA--C 1.543 0.707 0 N-CA-C 114.923 1.453 . . . . 0.25 114.923 -175.755 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 543' ' ' PRO . . . . . 0.537 ' HD3' ' O ' ' A' ' 539' ' ' ASN . 81.3 Cg_exo -50.23 -34.38 39.64 Favored 'Trans proline' 0 C--N 1.358 1.072 0 C-N-CA 122.141 1.894 . . . . 0.19 115.188 -171.425 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -111.06 -16.53 13.47 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.771 0.656 . . . . 0.35 112.771 178.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 545' ' ' GLY . . . . . 0.558 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . -153.94 140.91 7.84 Favored Glycine 0 CA--C 1.524 0.652 0 C-N-CA 120.832 -0.699 . . . . 1.14 112.927 175.179 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 546' ' ' LYS . . . . . 0.424 ' O ' ' HA ' ' A' ' 563' ' ' MET . 4.7 ttmp? -71.31 140.47 50.3 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.005 0.431 . . . . 1.56 111.944 -178.652 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 547' ' ' VAL . . . . . 0.49 ' HA ' ' O ' ' A' ' 562' ' ' GLU . 87.3 t -105.35 136.28 39.98 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.561 0 CA-C-N 115.333 -0.849 . . . . 0.25 109.695 178.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 66.0 p -107.05 -38.45 6.02 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 120.633 -0.427 . . . . 0.37 110.881 177.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -147.24 166.28 27.51 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.258 -0.428 . . . . 1.43 110.194 -172.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 47.6 p90 -150.01 151.4 33.24 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.745 0.307 . . . . 0.47 110.99 179.297 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 551' ' ' ILE . . . . . 0.457 HD12 HD22 ' A' ' 599' ' ' LEU . 34.9 mt -131.38 124.84 55.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 109.132 -0.692 . . . . 0.37 109.132 173.194 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 552' ' ' LEU . . . . . . . . . . . . . 65.0 mt -111.33 111.57 22.72 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.319 -0.4 . . . . 0.45 111.425 -175.031 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 64.8 mtt -108.1 86.52 2.31 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.534 0.683 . . . . 1.18 109.85 175.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -67.65 -29.37 68.66 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.173 -0.922 . . . . 1.45 110.453 -178.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 61.1 p -59.27 -35.95 74.65 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.553 -0.748 . . . . 1.11 111.515 178.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 556' ' ' THR . . . . . 0.464 ' O ' ' HG2' ' A' ' 558' ' ' GLN . 70.1 p -100.3 5.13 44.5 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.659 0.266 . . . . 0.88 111.212 178.651 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 57.4 42.85 24.13 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 115.701 -0.681 . . . . 2.35 110.464 -177.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 558' ' ' GLN . . . . . 0.464 ' HG2' ' O ' ' A' ' 556' ' ' THR . 11.9 mm100 -138.42 150.69 46.76 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.29 -0.413 . . . . 2.07 110.704 -174.422 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -129.94 143.85 51.01 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.338 -0.392 . . . . 0.27 110.436 177.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 560' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -122.31 132.72 54.54 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.938 -0.574 . . . . 0.33 109.697 179.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 561' ' ' LEU . . . . . 0.482 ' HB3' ' HE1' ' A' ' 563' ' ' MET . 14.2 tp -126.76 133.55 50.82 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 116.177 -0.465 . . . . 0.22 110.024 -172.611 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 562' ' ' GLU . . . . . 0.49 ' O ' ' HA ' ' A' ' 547' ' ' VAL . 8.1 tp10 -101.62 138.82 38.1 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 122.627 0.371 . . . . 1.85 111.044 -175.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 563' ' ' MET . . . . . 0.554 ' HE2' ' SD ' ' A' ' 572' ' ' MET . 0.4 OUTLIER -113.94 139.82 48.9 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.741 0.781 . . . . 0.96 111.636 -178.415 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -63.69 -30.26 71.38 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 114.718 -1.128 . . . . 0.36 111.581 -177.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -131.41 140.94 49.75 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.504 -0.925 . . . . 1.27 108.504 -177.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 566' ' ' THR . . . . . 0.472 ' O ' ' HG3' ' A' ' 570' ' ' GLN . 9.9 t -65.16 -31.61 72.88 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.296 -0.411 . . . . 0.52 110.334 -179.607 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -66.58 -34.29 77.56 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-O 120.828 0.347 . . . . 1.91 110.481 175.417 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 568' ' ' ALA . . . . . 0.529 ' HB1' ' CA ' ' A' ' 545' ' ' GLY . . . -62.8 -44.77 95.3 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.009 -0.541 . . . . 0.28 110.296 -179.111 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -67.89 -45.29 74.86 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.795 -0.639 . . . . 0.19 111.27 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 570' ' ' GLN . . . . . 0.636 ' O ' ' HG2' ' A' ' 574' ' ' GLN . 76.5 mt-30 -64.52 -47.36 79.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.274 -0.421 . . . . 1.21 110.905 -179.03 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -62.72 -43.72 98.08 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 116.04 -0.527 . . . . 0.31 111.723 -175.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 572' ' ' MET . . . . . 0.554 ' SD ' ' HE2' ' A' ' 563' ' ' MET . 14.8 ptp -65.75 -45.04 84.05 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 116.378 -0.373 . . . . 0.62 110.694 -177.269 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 573' ' ' VAL . . . . . 0.728 HG13 ' HA ' ' A' ' 591' ' ' ARG . 51.4 t -66.88 -38.37 81.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.353 -0.385 . . . . 0.21 111.672 -175.354 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 574' ' ' GLN . . . . . 0.636 ' HG2' ' O ' ' A' ' 570' ' ' GLN . 15.5 mm100 -60.1 -36.49 77.53 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.511 -0.552 . . . . 1.9 109.511 177.446 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 47.8 t80 -69.29 -48.94 60.21 Favored 'General case' 0 C--O 1.217 -0.654 0 CA-C-N 116.114 -0.494 . . . . 0.52 110.86 173.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 576' ' ' TYR . . . . . 0.506 ' CE1' ' HB2' ' A' ' 572' ' ' MET . 20.8 m-85 -74.7 -17.07 60.72 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 112.814 0.672 . . . . 0.34 112.814 -172.554 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -79.35 -25.0 42.35 Favored 'General case' 0 C--N 1.315 -0.915 0 C-N-CA 120.232 -0.587 . . . . 1.84 110.461 173.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -96.08 -39.13 9.88 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.117 -0.492 . . . . 2.07 111.017 177.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 53.7 mtpt -131.22 83.0 61.28 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 115.804 -0.635 . . . . 2.07 109.685 174.388 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_exo -70.58 159.59 52.28 Favored 'Trans proline' 0 C--O 1.234 0.32 0 C-N-CA 123.238 2.625 . . . . 0.19 112.331 -175.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -93.08 148.77 21.73 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.389 -0.369 . . . . 0.2 110.48 -175.116 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 56.0 mt -122.01 132.98 69.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.37 -0.377 . . . . 0.54 111.646 -172.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 583' ' ' ILE . . . . . 0.467 HD12 HD11 ' A' ' 588' ' ' LEU . 55.7 mt -121.34 116.07 48.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.018 -0.537 . . . . 0.73 110.518 173.034 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 59.33 38.0 23.23 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 116.102 -0.499 . . . . 1.46 111.31 176.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 84.36 -0.09 89.36 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.589 -0.815 . . . . 0.67 112.733 178.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 586' ' ' GLU . . . . . 0.423 ' HG3' ' HG3' ' A' ' 528' ' ' PRO . 13.0 mm-40 -100.64 125.6 47.06 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.516 -0.549 . . . . 1.93 109.516 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -86.63 110.07 19.6 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.217 -0.447 . . . . 2.12 110.491 -177.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 588' ' ' LEU . . . . . 0.467 HD11 HD12 ' A' ' 583' ' ' ILE . 27.2 mt -85.45 123.35 30.79 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.411 -0.589 . . . . 0.28 109.411 178.544 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 589' ' ' LEU . . . . . 0.466 ' HB3' ' SG ' ' A' ' 525' ' ' CYS . 43.7 tp -83.63 108.0 16.44 Favored 'General case' 0 N--CA 1.433 -1.301 0 N-CA-C 107.843 -1.169 . . . . 0.38 107.843 170.44 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 590' ' ' ILE . . . . . . . . . . . . . 55.0 mt -95.54 114.85 33.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 N-CA-C 107.616 -1.253 . . . . 0.17 107.616 177.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 591' ' ' ARG . . . . . 0.728 ' HA ' HG13 ' A' ' 573' ' ' VAL . 15.3 ptm180 -148.63 164.02 35.54 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.155 0.502 . . . . 3.0 112.264 -169.788 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 592' ' ' MET . . . . . 0.639 ' HA ' ' HE2' ' A' ' 592' ' ' MET . 0.4 OUTLIER -63.44 135.96 57.28 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.463 -0.789 . . . . 0.33 110.566 -176.255 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 40.2 t -86.56 130.51 34.47 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.69 -0.485 . . . . 1.04 109.69 176.353 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 20.2 p -92.5 -22.03 19.8 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.188 -0.46 . . . . 1.6 110.887 179.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 13.5 mtm180 -82.32 -41.31 20.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 2.94 110.984 -175.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -107.2 133.36 51.9 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.45 -0.341 . . . . 0.93 110.336 -175.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 51.1 mtmt -91.72 -29.33 16.89 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.081 -0.509 . . . . 3.4 110.136 175.217 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -159.89 151.11 19.52 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.347 -0.842 . . . . 2.02 109.288 -179.216 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 599' ' ' LEU . . . . . 0.485 ' HG ' HG22 ' A' ' 521' ' ' VAL . 87.2 mt . . . . . 0 C--N 1.321 -0.634 0 CA-C-O 121.196 0.522 . . . . 1.02 110.329 179.095 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 69.1 t . . . . . 0 N--CA 1.451 -0.401 0 N-CA-C 109.717 -0.475 . . . . 0.44 109.717 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 522' ' ' VAL . . . . . 0.406 HG22 ' HE3' ' A' ' 592' ' ' MET . 68.5 t -101.64 134.81 40.94 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 N-CA-C 110.042 -0.355 . . . . 0.25 110.042 178.585 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 13.5 p-80 -112.88 139.89 48.14 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.34 0.59 . . . . 1.75 110.86 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 524' ' ' ILE . . . . . 0.693 HD12 HG13 ' A' ' 537' ' ' VAL . 69.1 mt -115.92 131.47 68.26 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.872 0 CA-C-N 115.105 -0.952 . . . . 0.28 110.196 -179.62 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 20.7 m -113.81 175.01 5.65 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.062 -0.517 . . . . 1.28 110.671 -174.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 16.1 m120 64.33 31.28 12.96 Favored 'General case' 0 N--CA 1.465 0.309 0 O-C-N 123.628 0.58 . . . . 1.22 111.53 177.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 527' ' ' LEU . . . . . 0.428 HD21 HD13 ' A' ' 588' ' ' LEU . 85.3 mt -86.39 120.48 72.18 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 116.375 -0.375 . . . . 0.6 110.762 -178.676 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 528' ' ' PRO . . . . . 0.604 ' HD2' ' SG ' ' A' ' 532' ' ' CYS . 36.1 Cg_endo -68.34 131.94 24.54 Favored 'Trans proline' 0 C--O 1.237 0.427 0 C-N-CA 122.654 2.236 . . . . 0.62 112.474 177.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.67 133.07 47.91 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.451 -0.795 . . . . 2.98 111.247 177.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 87.01 -17.69 40.19 Favored Glycine 0 N--CA 1.445 -0.735 0 C-N-CA 120.667 -0.778 . . . . 0.94 113.606 175.32 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 10.0 t -105.11 -36.27 7.33 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 117.648 0.724 . . . . 1.17 111.143 -178.291 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 532' ' ' CYS . . . . . 0.604 ' SG ' ' HD2' ' A' ' 528' ' ' PRO . 82.0 m -86.77 128.74 35.04 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.853 0.359 . . . . 0.77 110.879 175.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 81.6 p -106.51 170.94 7.63 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.995 -0.548 . . . . 0.54 109.815 177.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 534' ' ' GLU . . . . . 0.437 ' H ' ' HG3' ' A' ' 534' ' ' GLU . 14.4 mt-10 -51.65 -45.4 63.33 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.212 0.53 . . . . 1.32 110.241 178.331 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 17.5 m-80 -60.28 -43.39 96.26 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.069 -0.969 . . . . 1.95 112.205 -173.036 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 536' ' ' ASP . . . . . 0.512 ' O ' ' HG ' ' A' ' 540' ' ' LEU . 31.9 m-20 -62.44 -46.64 87.63 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 121.112 0.482 . . . . 0.52 110.774 -172.178 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 537' ' ' VAL . . . . . 0.693 HG13 HD12 ' A' ' 524' ' ' ILE . 59.4 t -62.25 -40.79 89.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.205 -0.907 . . . . 0.25 110.138 -178.272 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 86.7 mt -66.86 -42.82 89.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.659 -0.701 . . . . 0.24 110.485 177.499 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -61.55 -29.08 69.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.769 -0.65 . . . . 1.07 111.95 -179.074 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 540' ' ' LEU . . . . . 0.512 ' HG ' ' O ' ' A' ' 536' ' ' ASP . 42.9 mt -73.05 -38.93 66.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.703 -0.226 . . . . 0.36 111.472 -179.288 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -76.71 -39.73 28.46 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.617 -0.802 . . . . 0.22 112.83 -176.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 542' ' ' LEU . . . . . 0.482 ' HA ' ' O ' ' A' ' 545' ' ' GLY . 79.8 mt -47.71 -45.28 59.52 Favored Pre-proline 0 N--CA 1.471 0.608 0 N-CA-C 114.707 1.373 . . . . 0.25 114.707 -173.13 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 543' ' ' PRO . . . . . 0.408 ' HD2' ' O ' ' A' ' 540' ' ' LEU . 56.9 Cg_exo -47.44 -34.09 18.68 Favored 'Trans proline' 0 C--N 1.36 1.135 0 C-N-CA 122.247 1.965 . . . . 0.19 115.188 -173.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 544' ' ' PHE . . . . . 0.521 ' HB2' ' CB ' ' A' ' 572' ' ' MET . 67.7 m-85 -111.42 -19.52 12.56 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.036 -0.665 . . . . 0.35 112.766 176.255 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 545' ' ' GLY . . . . . 0.482 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . -149.25 126.15 2.17 Favored Glycine 0 CA--C 1.521 0.434 0 C-N-CA 120.503 -0.856 . . . . 1.14 113.801 177.719 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 546' ' ' LYS . . . . . 0.443 ' O ' ' HA ' ' A' ' 563' ' ' MET . 55.7 tptt -57.01 140.24 49.65 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 123.144 0.578 . . . . 1.56 111.31 174.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 547' ' ' VAL . . . . . 0.454 ' HA ' ' O ' ' A' ' 562' ' ' GLU . 90.1 t -100.0 135.28 36.38 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.474 0 CA-C-N 115.892 -0.595 . . . . 0.25 110.855 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 32.6 p -107.52 -32.38 7.73 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.238 -0.437 . . . . 0.37 111.612 176.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 70.2 m-20 -146.91 165.09 30.84 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-N 116.371 -0.377 . . . . 1.43 110.728 -175.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 47.1 p90 -151.42 149.16 28.97 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.255 -0.429 . . . . 0.47 109.985 173.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 551' ' ' ILE . . . . . 0.48 HD12 HD22 ' A' ' 599' ' ' LEU . 14.8 mt -138.62 124.36 23.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 N-CA-C 109.211 -0.662 . . . . 0.37 109.211 175.172 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 552' ' ' LEU . . . . . . . . . . . . . 85.3 mt -103.91 112.85 25.99 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.976 -0.557 . . . . 0.45 111.401 -173.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 25.3 mmt -107.32 84.22 1.94 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.545 0.688 . . . . 1.18 109.416 174.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 31.9 mmtp -68.72 -29.01 67.34 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.382 -0.826 . . . . 1.45 110.768 -178.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 67.3 p -61.82 -32.11 72.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.766 -0.652 . . . . 1.11 111.697 179.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 70.2 p -103.9 9.3 36.82 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 120.994 0.426 . . . . 0.88 110.856 178.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 56.68 40.27 29.32 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 115.104 -0.953 . . . . 2.35 111.723 178.047 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -145.85 157.71 43.9 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-O 121.104 0.478 . . . . 2.07 110.917 -176.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -129.98 143.84 51.01 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 116.177 -0.465 . . . . 0.27 110.395 178.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 560' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -111.78 128.64 56.16 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.18 -0.463 . . . . 0.33 109.816 178.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 561' ' ' LEU . . . . . 0.496 ' HB3' ' HE1' ' A' ' 563' ' ' MET . 15.9 tp -124.11 131.1 53.51 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 115.947 -0.57 . . . . 0.22 109.839 -175.625 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 562' ' ' GLU . . . . . 0.454 ' O ' ' HA ' ' A' ' 547' ' ' VAL . 27.8 tt0 -102.36 137.77 40.17 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.571 0.224 . . . . 1.85 110.504 -177.743 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 563' ' ' MET . . . . . 0.496 ' HE1' ' HB3' ' A' ' 561' ' ' LEU . 0.5 OUTLIER -107.08 151.58 25.17 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.439 -0.346 . . . . 0.96 111.004 -179.429 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -60.09 -43.2 95.7 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.059 0.457 . . . . 0.36 110.943 -177.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -118.57 151.66 37.47 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.652 -0.704 . . . . 1.27 109.112 -179.464 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 566' ' ' THR . . . . . 0.547 ' O ' ' HG3' ' A' ' 570' ' ' GLN . 9.3 t -61.8 -38.76 89.3 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.098 0.475 . . . . 0.52 109.977 175.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -66.52 -31.65 72.51 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 115.828 -0.624 . . . . 1.91 111.307 178.496 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 568' ' ' ALA . . . . . 0.433 ' HB1' ' CA ' ' A' ' 545' ' ' GLY . . . -61.66 -41.8 98.03 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.214 0.53 . . . . 0.28 109.574 177.084 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 569' ' ' ALA . . . . . 0.449 ' O ' ' HG2' ' A' ' 572' ' ' MET . . . -68.65 -45.26 72.26 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.276 -0.875 . . . . 0.19 111.384 177.782 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 570' ' ' GLN . . . . . 0.547 ' HG3' ' O ' ' A' ' 566' ' ' THR . 72.6 mt-30 -67.02 -46.45 74.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.463 -0.335 . . . . 1.21 111.27 -176.294 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -62.82 -38.76 92.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.097 -0.501 . . . . 0.31 111.354 -175.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 572' ' ' MET . . . . . 0.521 ' CB ' ' HB2' ' A' ' 544' ' ' PHE . 12.8 ptp -69.02 -45.77 69.63 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.688 -0.405 . . . . 0.62 110.439 -179.61 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 573' ' ' VAL . . . . . 0.612 HG13 ' HA ' ' A' ' 591' ' ' ARG . 94.8 t -67.05 -37.42 79.29 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.654 0 CA-C-N 116.27 -0.423 . . . . 0.21 111.364 -175.332 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 574' ' ' GLN . . . . . 0.45 ' HG2' ' O ' ' A' ' 570' ' ' GLN . 28.8 mm-40 -59.19 -37.4 77.32 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.318 -0.623 . . . . 1.9 109.318 176.648 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 76.8 t80 -68.94 -49.87 54.24 Favored 'General case' 0 C--O 1.217 -0.611 0 CA-C-N 116.184 -0.462 . . . . 0.52 111.161 173.361 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 576' ' ' TYR . . . . . 0.411 ' CE1' ' HB2' ' A' ' 572' ' ' MET . 23.7 m-85 -73.98 -17.28 61.02 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 112.983 0.734 . . . . 0.34 112.983 -172.787 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -74.13 -29.04 61.62 Favored 'General case' 0 C--N 1.317 -0.819 0 C-N-CA 120.585 -0.446 . . . . 1.84 110.386 173.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -97.77 -39.78 8.87 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.225 -0.443 . . . . 2.07 111.205 178.065 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 52.1 mtpt -130.1 82.91 64.88 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-N 115.988 -0.551 . . . . 2.07 109.784 176.306 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -70.36 160.61 48.95 Favored 'Trans proline' 0 CA--C 1.53 0.281 0 C-N-CA 123.868 3.045 . . . . 0.19 112.632 -175.142 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 581' ' ' ALA . . . . . 0.435 ' HB1' HD22 ' A' ' 540' ' ' LEU . . . -92.17 148.51 22.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.375 -0.375 . . . . 0.2 110.654 -174.803 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 66.2 mt -113.79 130.17 68.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 112.288 0.477 . . . . 0.54 112.288 -170.117 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 583' ' ' ILE . . . . . 0.45 HD12 HD11 ' A' ' 588' ' ' LEU . 45.4 mt -122.01 123.09 68.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.018 -0.537 . . . . 0.73 109.82 170.705 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 59.26 34.42 23.03 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 122.9 0.48 . . . . 1.46 111.482 177.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 81.15 3.41 90.67 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.777 -0.725 . . . . 0.67 112.624 -179.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -103.32 126.85 50.7 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.874 0.369 . . . . 1.93 110.293 179.24 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 57.3 mttm -84.44 107.54 16.75 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.11 -0.495 . . . . 2.12 109.897 -179.368 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 588' ' ' LEU . . . . . 0.45 HD11 HD12 ' A' ' 583' ' ' ILE . 60.6 mt -85.02 129.05 34.86 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 116.185 -0.461 . . . . 0.28 109.942 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 36.8 tp -82.44 109.32 16.57 Favored 'General case' 0 N--CA 1.436 -1.173 0 N-CA-C 108.607 -0.886 . . . . 0.38 108.607 174.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 590' ' ' ILE . . . . . . . . . . . . . 58.5 mt -95.44 115.37 34.25 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 N-CA-C 107.786 -1.19 . . . . 0.17 107.786 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 591' ' ' ARG . . . . . 0.612 ' HA ' HG13 ' A' ' 573' ' ' VAL . 27.9 ptt180 -142.44 157.22 44.99 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 113.602 0.964 . . . . 3.0 113.602 -168.661 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 592' ' ' MET . . . . . 0.582 ' HG2' HG11 ' A' ' 573' ' ' VAL . 0.2 OUTLIER -66.77 132.18 47.52 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 114.607 -1.179 . . . . 0.33 111.254 -174.665 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 15.0 m -87.49 130.65 34.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.747 0.308 . . . . 1.04 110.555 174.32 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 11.2 p -89.49 -26.57 20.85 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.127 0.489 . . . . 1.6 110.483 176.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 78.9 mtp180 -74.6 -41.31 60.67 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.729 -0.669 . . . . 2.94 111.453 -179.044 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -106.95 129.89 54.69 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.05 0.452 . . . . 0.93 111.461 -176.409 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 50.9 mtmt -94.81 -38.04 10.94 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.837 0.827 . . . . 3.4 109.589 167.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -145.19 146.35 31.71 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.536 -1.211 . . . . 2.02 109.949 -173.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 599' ' ' LEU . . . . . 0.48 HD22 HD12 ' A' ' 551' ' ' ILE . 95.3 mt . . . . . 0 C--N 1.322 -0.614 0 CA-C-O 121.254 0.55 . . . . 1.02 110.995 178.272 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 521' ' ' VAL . . . . . 0.415 HG22 ' HG ' ' A' ' 599' ' ' LEU . 99.0 t . . . . . 0 N--CA 1.443 -0.793 0 N-CA-C 109.564 -0.532 . . . . 0.44 109.564 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 522' ' ' VAL . . . . . 0.429 HG21 ' HE3' ' A' ' 563' ' ' MET . 61.0 t -101.72 133.21 45.86 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.083 0 CA-C-N 115.512 -0.767 . . . . 0.25 109.599 177.728 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 12.4 t-80 -106.28 121.12 43.57 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.891 -0.595 . . . . 1.75 109.658 -177.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 524' ' ' ILE . . . . . 0.464 HD12 HG13 ' A' ' 537' ' ' VAL . 77.6 mt -103.2 126.95 57.48 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.87 0 CA-C-N 115.998 -0.546 . . . . 0.28 109.847 -179.18 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 34.6 m -114.84 173.75 6.32 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.653 -0.703 . . . . 1.28 110.982 -174.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 19.0 m120 65.03 27.88 12.52 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 115.566 -0.743 . . . . 1.22 111.115 178.255 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 527' ' ' LEU . . . . . 0.566 ' O ' ' HB3' ' A' ' 557' ' ' ASN . 80.4 mt -80.26 120.65 80.18 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-O 120.802 0.334 . . . . 0.6 111.112 -177.367 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 528' ' ' PRO . . . . . 0.516 ' HD2' ' SG ' ' A' ' 532' ' ' CYS . 28.3 Cg_endo -69.67 130.85 20.17 Favored 'Trans proline' 0 C--O 1.238 0.499 0 C-N-CA 122.31 2.007 . . . . 0.62 111.858 172.472 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 529' ' ' GLU . . . . . 0.438 ' HB3' ' OD1' ' A' ' 557' ' ' ASN . 1.0 OUTLIER -69.24 137.69 53.35 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.442 -0.345 . . . . 2.98 110.613 177.432 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 79.0 -18.02 6.6 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 121.125 -0.559 . . . . 0.94 113.109 177.04 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 531' ' ' SER . . . . . 0.458 ' HB3' ' ND2' ' A' ' 584' ' ' ASN . 14.7 m -92.11 -35.18 14.03 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.122 0.487 . . . . 1.17 110.522 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 532' ' ' CYS . . . . . 0.516 ' SG ' ' HD2' ' A' ' 528' ' ' PRO . 38.8 m -86.52 131.32 34.21 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.806 -0.634 . . . . 0.77 110.893 -179.463 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 44.0 p -106.11 167.18 9.98 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.277 -0.638 . . . . 0.54 109.277 174.141 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -57.17 -45.4 83.69 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.266 0.555 . . . . 1.32 109.801 178.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -62.66 -43.18 99.46 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.087 -0.96 . . . . 1.95 111.767 -176.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 536' ' ' ASP . . . . . 0.583 ' O ' ' HG ' ' A' ' 540' ' ' LEU . 50.1 m-20 -60.63 -47.4 86.41 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 120.834 0.35 . . . . 0.52 110.95 -177.796 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 537' ' ' VAL . . . . . 0.464 HG13 HD12 ' A' ' 524' ' ' ILE . 76.1 t -62.48 -44.52 99.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.753 -0.658 . . . . 0.25 110.703 -177.631 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 90.1 mt -64.13 -42.98 97.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.966 -0.561 . . . . 0.24 110.648 177.466 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 539' ' ' ASN . . . . . 0.568 ' O ' ' HD3' ' A' ' 543' ' ' PRO . 83.5 m-20 -61.33 -28.3 69.11 Favored 'General case' 0 C--O 1.223 -0.325 0 CA-C-N 115.779 -0.646 . . . . 1.07 111.737 -179.452 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 540' ' ' LEU . . . . . 0.583 ' HG ' ' O ' ' A' ' 536' ' ' ASP . 44.9 mt -74.74 -33.83 62.42 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.172 0.434 . . . . 0.36 112.172 -178.433 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -79.07 -38.42 22.67 Favored Glycine 0 N--CA 1.453 -0.195 0 C-N-CA 120.15 -1.024 . . . . 0.22 112.165 -179.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 542' ' ' LEU . . . . . . . . . . . . . 62.2 mt -49.1 -45.64 75.2 Favored Pre-proline 0 CA--C 1.55 0.964 0 N-CA-C 115.449 1.648 . . . . 0.25 115.449 -176.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 543' ' ' PRO . . . . . 0.568 ' HD3' ' O ' ' A' ' 539' ' ' ASN . 99.4 Cg_exo -51.93 -34.66 57.11 Favored 'Trans proline' 0 C--N 1.357 0.996 0 C-N-CA 122.369 2.046 . . . . 0.19 115.941 -168.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -110.59 -17.74 13.34 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 119.888 -0.725 . . . . 0.35 112.941 179.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 545' ' ' GLY . . . . . 0.538 ' CA ' ' HB1' ' A' ' 568' ' ' ALA . . . -125.7 -145.67 6.51 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.574 -0.822 . . . . 1.14 113.379 177.741 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 546' ' ' LYS . . . . . 0.601 ' O ' ' HA ' ' A' ' 563' ' ' MET . 40.0 tptt -144.46 125.3 14.28 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.266 -0.467 . . . . 1.56 110.585 178.092 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 94.8 t -91.51 136.0 25.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 116.484 -0.325 . . . . 0.25 110.901 179.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 45.0 p -107.94 -40.07 5.35 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.176 -0.466 . . . . 0.37 110.925 175.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -164.13 168.93 18.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.612 -0.722 . . . . 1.43 109.497 -179.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 53.0 p90 -141.32 151.33 43.52 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.016 0.436 . . . . 0.47 111.735 -173.299 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 551' ' ' ILE . . . . . 0.495 HD12 HD22 ' A' ' 599' ' ' LEU . 15.9 mt -126.38 122.34 61.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 108.659 -0.867 . . . . 0.37 108.659 168.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 552' ' ' LEU . . . . . . . . . . . . . 60.8 mt -113.07 120.06 40.02 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 116.17 -0.468 . . . . 0.45 111.783 -174.352 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 22.3 mmt -106.49 85.63 2.21 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.013 -0.736 . . . . 1.18 109.013 174.199 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.68 -29.45 67.9 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.476 -0.564 . . . . 1.45 109.476 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 64.2 p -63.19 -27.23 69.22 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.298 -0.865 . . . . 1.11 112.018 -179.321 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 556' ' ' THR . . . . . 0.424 ' O ' ' HG2' ' A' ' 558' ' ' GLN . 66.8 p -112.57 2.11 16.09 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.045 0.45 . . . . 0.88 110.506 -178.362 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 557' ' ' ASN . . . . . 0.566 ' HB3' ' O ' ' A' ' 527' ' ' LEU . 87.9 m-20 57.22 41.17 27.32 Favored 'General case' 0 CA--C 1.521 -0.166 0 CA-C-N 114.886 -1.052 . . . . 2.35 111.306 -178.017 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 558' ' ' GLN . . . . . 0.424 ' HG2' ' O ' ' A' ' 556' ' ' THR . 8.8 mm100 -139.9 148.54 42.18 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.219 -0.66 . . . . 2.07 109.219 -177.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 559' ' ' ALA . . . . . 0.426 ' HB3' ' HB ' ' A' ' 524' ' ' ILE . . . -131.26 150.67 52.05 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.257 0.465 . . . . 0.27 112.257 -174.435 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 560' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -125.2 126.63 45.52 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.543 -0.753 . . . . 0.33 109.315 176.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 14.6 tp -127.74 129.05 46.43 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 110.119 -0.326 . . . . 0.22 110.119 -175.044 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 562' ' ' GLU . . . . . 0.432 ' OE2' ' HA ' ' A' ' 598' ' ' GLU . 8.7 tp10 -99.44 137.86 37.35 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 121.061 0.457 . . . . 1.85 110.906 -174.461 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 563' ' ' MET . . . . . 0.601 ' HA ' ' O ' ' A' ' 546' ' ' LYS . 20.4 mmt -115.21 135.0 54.64 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.434 -0.803 . . . . 0.96 110.916 -173.37 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -61.6 -32.09 72.19 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 114.958 -1.019 . . . . 0.36 111.34 -177.141 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 565' ' ' TYR . . . . . 0.448 ' HB2' ' HB2' ' A' ' 568' ' ' ALA . 23.4 m-85 -123.44 132.39 53.93 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.136 -0.938 . . . . 1.27 108.804 -176.064 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 5.1 t -65.68 -38.15 88.47 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.11 -0.495 . . . . 0.52 110.955 -176.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 567' ' ' GLU . . . . . 0.55 ' CD ' ' H ' ' A' ' 567' ' ' GLU . 1.6 pm0 -68.33 -32.09 71.95 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.352 -0.385 . . . . 1.91 110.839 175.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 568' ' ' ALA . . . . . 0.538 ' HB1' ' CA ' ' A' ' 545' ' ' GLY . . . -62.14 -41.2 98.04 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.07 0.462 . . . . 0.28 110.164 177.753 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 569' ' ' ALA . . . . . 0.405 ' O ' ' HG2' ' A' ' 572' ' ' MET . . . -68.08 -45.39 73.95 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.791 -0.641 . . . . 0.19 111.0 178.329 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 570' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -61.81 -45.69 92.77 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.872 -0.604 . . . . 1.21 111.231 179.07 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -62.27 -42.74 99.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.956 -0.565 . . . . 0.31 111.347 -176.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 572' ' ' MET . . . . . 0.498 ' CE ' ' HA3' ' A' ' 545' ' ' GLY . 17.4 ptp -68.42 -46.25 70.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.459 -0.337 . . . . 0.62 110.771 -176.807 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 573' ' ' VAL . . . . . 0.483 HG11 ' HG2' ' A' ' 592' ' ' MET . 94.2 t -66.91 -37.06 78.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.607 -0.269 . . . . 0.21 111.37 -176.494 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -58.89 -37.59 76.94 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.638 -0.425 . . . . 1.9 110.008 176.082 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 60.8 t80 -69.26 -49.74 53.33 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.218 -0.446 . . . . 0.52 110.744 173.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 576' ' ' TYR . . . . . 0.474 ' CB ' ' HB ' ' A' ' 590' ' ' ILE . 21.8 m-85 -74.52 -16.76 60.82 Favored 'General case' 0 C--O 1.222 -0.369 0 N-CA-C 113.237 0.829 . . . . 0.34 113.237 -171.401 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -79.75 -26.96 40.57 Favored 'General case' 0 C--N 1.315 -0.894 0 C-N-CA 119.95 -0.7 . . . . 1.84 110.861 175.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -97.63 -38.98 9.32 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.21 0.529 . . . . 2.07 110.906 176.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -127.36 82.33 68.41 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-N 115.798 -0.637 . . . . 2.07 109.609 174.197 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_exo -71.68 160.08 49.16 Favored 'Trans proline' 0 C--O 1.233 0.259 0 C-N-CA 123.432 2.755 . . . . 0.19 112.654 -176.036 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 581' ' ' ALA . . . . . 0.456 ' HB1' HD22 ' A' ' 540' ' ' LEU . . . -93.03 152.85 19.05 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.175 -0.466 . . . . 0.2 110.348 -175.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 582' ' ' ILE . . . . . 0.478 HG12 ' HG2' ' A' ' 587' ' ' LYS . 63.7 mt -116.15 133.27 63.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 N-CA-C 112.286 0.476 . . . . 0.54 112.286 -170.782 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 583' ' ' ILE . . . . . 0.458 HD12 HD11 ' A' ' 588' ' ' LEU . 29.7 mt -122.64 121.94 64.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.093 -0.503 . . . . 0.73 110.084 169.618 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 584' ' ' ASN . . . . . 0.458 ' ND2' ' HB3' ' A' ' 531' ' ' SER . 5.2 m-20 59.5 36.85 23.06 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 116.378 -0.373 . . . . 1.46 111.731 177.61 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 80.72 -0.53 85.96 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.662 -0.78 . . . . 0.67 112.887 178.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -102.25 127.23 49.31 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.845 -0.428 . . . . 1.93 109.845 -179.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 587' ' ' LYS . . . . . 0.478 ' HG2' HG12 ' A' ' 582' ' ' ILE . 99.4 mttt -82.02 113.21 19.76 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.04 0.447 . . . . 2.12 110.573 -178.514 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 588' ' ' LEU . . . . . 0.508 HD12 ' CD1' ' A' ' 540' ' ' LEU . 38.4 mt -86.67 125.02 33.57 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.812 -0.631 . . . . 0.28 110.21 -179.79 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 39.4 tp -83.39 109.52 17.38 Favored 'General case' 0 C--N 1.31 -1.14 0 N-CA-C 108.541 -0.911 . . . . 0.38 108.541 174.293 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 590' ' ' ILE . . . . . 0.474 ' HB ' ' CB ' ' A' ' 576' ' ' TYR . 45.9 mt -95.15 116.21 36.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 N-CA-C 108.698 -0.853 . . . . 0.17 108.698 179.199 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 80.0 mtp180 -124.37 157.62 34.62 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.94 -0.573 . . . . 3.0 111.913 -169.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 592' ' ' MET . . . . . 0.498 ' HA ' ' HE2' ' A' ' 592' ' ' MET . 0.4 OUTLIER -72.0 127.07 31.4 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 108.612 -0.885 . . . . 0.33 108.612 171.738 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 13.1 t -84.27 131.31 34.74 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.503 -0.479 . . . . 1.04 111.434 -174.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 17.5 m -98.89 -10.18 23.19 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.5 -0.773 . . . . 1.6 109.696 173.393 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 73.0 mtt180 -81.64 -40.42 22.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.69 -0.687 . . . . 2.94 110.741 -177.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -116.3 137.11 52.42 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.081 0.467 . . . . 0.93 110.568 176.349 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 597' ' ' LYS . . . . . 0.478 ' C ' ' HD3' ' A' ' 597' ' ' LYS . 13.7 tmtt? -89.58 -41.21 12.12 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.556 -0.747 . . . . 3.4 109.432 176.004 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 598' ' ' GLU . . . . . 0.432 ' HA ' ' OE2' ' A' ' 562' ' ' GLU . 11.3 pt-20 -154.08 146.52 23.99 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.642 -0.708 . . . . 2.02 110.174 -179.348 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 599' ' ' LEU . . . . . 0.495 HD22 HD12 ' A' ' 551' ' ' ILE . 60.2 mt . . . . . 0 C--N 1.322 -0.622 0 CA-C-N 116.359 -0.382 . . . . 1.02 110.338 177.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 76.6 t . . . . . 0 N--CA 1.456 -0.157 0 CA-C-O 120.878 0.371 . . . . 0.44 110.573 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 522' ' ' VAL . . . . . . . . . . . . . 59.9 t -106.47 135.07 46.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 116.103 -0.498 . . . . 0.25 110.409 177.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 523' ' ' HIS . . . . . 0.495 ' ND1' ' HA ' ' A' ' 593' ' ' SER . 2.1 p-80 -109.12 140.52 42.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.244 0.545 . . . . 1.75 110.927 177.366 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 524' ' ' ILE . . . . . 0.626 HD12 HG13 ' A' ' 537' ' ' VAL . 71.2 mt -115.66 138.54 45.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-N 115.428 -0.806 . . . . 0.28 110.495 -179.158 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 5.8 p -125.64 175.65 7.43 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.019 -0.537 . . . . 1.28 110.795 -179.459 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 69.69 29.23 4.24 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 123.693 0.62 . . . . 1.22 110.734 -177.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 527' ' ' LEU . . . . . 0.408 HD21 HD13 ' A' ' 588' ' ' LEU . 80.1 mt -89.03 121.64 69.48 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 116.015 -0.539 . . . . 0.6 110.877 -176.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 528' ' ' PRO . . . . . 0.593 ' HD2' ' SG ' ' A' ' 532' ' ' CYS . 31.4 Cg_endo -67.68 130.92 23.06 Favored 'Trans proline' 0 N--CA 1.46 -0.48 0 C-N-CA 121.896 1.731 . . . . 0.62 111.753 174.561 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -68.68 125.3 26.11 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.616 -0.72 . . . . 2.98 111.343 -178.03 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 86.52 -18.17 35.25 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.955 -0.641 . . . . 0.94 113.346 174.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 4.4 t -93.13 -34.48 13.63 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 117.133 0.466 . . . . 1.17 110.68 -177.468 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 532' ' ' CYS . . . . . 0.593 ' SG ' ' HD2' ' A' ' 528' ' ' PRO . 70.9 m -85.07 133.17 34.24 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.521 -0.308 . . . . 0.77 110.506 177.491 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 69.6 p -104.45 170.83 7.67 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.848 -0.426 . . . . 0.54 109.848 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 534' ' ' GLU . . . . . 0.4 ' HA ' HD11 ' A' ' 552' ' ' LEU . 31.4 mt-10 -54.7 -41.49 70.33 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.177 0.513 . . . . 1.32 109.783 177.305 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -61.79 -43.42 98.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.309 -0.86 . . . . 1.95 111.829 -175.527 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 536' ' ' ASP . . . . . 0.646 ' O ' ' HG ' ' A' ' 540' ' ' LEU . 26.2 m-20 -61.07 -48.63 80.83 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 121.151 0.5 . . . . 0.52 110.892 -175.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 537' ' ' VAL . . . . . 0.626 HG13 HD12 ' A' ' 524' ' ' ILE . 99.2 t -64.73 -44.97 96.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.357 -0.838 . . . . 0.25 110.69 -175.462 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 95.8 mt -64.01 -45.28 97.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.005 -0.543 . . . . 0.24 110.824 178.422 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 539' ' ' ASN . . . . . 0.647 ' O ' ' HD3' ' A' ' 543' ' ' PRO . 0.9 OUTLIER -64.48 -28.3 69.57 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.768 -0.651 . . . . 1.07 112.29 -176.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 540' ' ' LEU . . . . . 0.646 ' HG ' ' O ' ' A' ' 536' ' ' ASP . 53.6 mt -72.52 -32.41 66.11 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.318 0.488 . . . . 0.36 112.318 -177.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -79.69 -33.87 32.97 Favored Glycine 0 CA--C 1.518 0.235 0 C-N-CA 120.145 -1.026 . . . . 0.22 112.058 178.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 542' ' ' LEU . . . . . 0.409 HD12 ' HA ' ' A' ' 539' ' ' ASN . 68.2 mt -53.3 -39.89 75.24 Favored Pre-proline 0 CA--C 1.546 0.826 0 N-CA-C 115.526 1.676 . . . . 0.25 115.526 -175.186 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 543' ' ' PRO . . . . . 0.647 ' HD3' ' O ' ' A' ' 539' ' ' ASN . 96.8 Cg_exo -52.05 -35.28 60.93 Favored 'Trans proline' 0 C--N 1.356 0.952 0 C-N-CA 121.589 1.526 . . . . 0.19 115.07 -173.741 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 544' ' ' PHE . . . . . 0.408 ' HB2' ' HA ' ' A' ' 572' ' ' MET . 78.8 m-85 -110.96 -17.73 13.23 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.9 0.704 . . . . 0.35 112.9 178.411 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 545' ' ' GLY . . . . . 0.515 ' CA ' ' HB1' ' A' ' 568' ' ' ALA . . . -128.0 -151.12 7.49 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.797 -0.716 . . . . 1.14 113.264 179.132 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 546' ' ' LYS . . . . . 0.574 ' O ' ' HA ' ' A' ' 563' ' ' MET . 53.0 tttp -149.49 139.44 21.97 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 110.571 -0.159 . . . . 1.56 110.571 177.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 547' ' ' VAL . . . . . 0.475 ' HA ' ' O ' ' A' ' 562' ' ' GLU . 96.5 t -102.53 133.11 47.14 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.482 0 O-C-N 123.479 0.487 . . . . 0.25 111.658 -174.486 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 548' ' ' THR . . . . . 0.418 HG23 ' HB2' ' A' ' 564' ' ' ALA . 26.0 p -107.63 -34.44 7.0 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.608 -0.724 . . . . 0.37 111.951 176.207 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 49.9 m-80 -152.28 167.07 29.83 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 115.881 -0.6 . . . . 1.43 109.453 -178.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 52.1 p90 -147.12 149.68 33.5 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 121.0 -0.28 . . . . 0.47 110.723 176.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 551' ' ' ILE . . . . . 0.525 HD12 HD22 ' A' ' 599' ' ' LEU . 25.4 mt -133.67 121.75 41.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 108.971 -0.751 . . . . 0.37 108.971 172.272 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 552' ' ' LEU . . . . . 0.4 HD11 ' HA ' ' A' ' 534' ' ' GLU . 82.6 mt -113.08 111.4 22.08 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.145 -0.48 . . . . 0.45 111.827 -173.568 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 66.1 mtt -108.75 84.48 1.94 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.464 0.649 . . . . 1.18 109.634 173.13 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -68.64 -30.34 69.03 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.406 -0.815 . . . . 1.45 111.201 -175.088 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 64.9 p -64.76 -32.02 73.52 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.125 -0.488 . . . . 1.11 111.743 -177.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 69.9 p -100.62 12.79 36.65 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 111.737 0.273 . . . . 0.88 111.737 -177.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 58.01 43.05 21.71 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 116.015 -0.539 . . . . 2.35 110.842 179.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 558' ' ' GLN . . . . . 0.535 ' HA ' HE21 ' A' ' 558' ' ' GLN . 0.0 OUTLIER -142.33 149.49 39.53 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.174 0.511 . . . . 2.07 111.225 -176.768 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 559' ' ' ALA . . . . . 0.484 ' O ' ' HA ' ' A' ' 523' ' ' HIS . . . -137.18 143.75 42.55 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.906 -0.588 . . . . 0.27 109.646 173.516 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 560' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -120.68 126.62 50.67 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.632 -0.507 . . . . 0.33 109.632 178.274 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 14.6 tp -121.89 130.64 53.51 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.967 -0.561 . . . . 0.22 109.797 -176.374 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 562' ' ' GLU . . . . . 0.591 ' HB2' HD12 ' A' ' 599' ' ' LEU . 32.7 tt0 -99.47 137.52 37.86 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.387 -0.369 . . . . 1.85 110.255 -173.277 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 563' ' ' MET . . . . . 0.574 ' HA ' ' O ' ' A' ' 546' ' ' LYS . 20.3 mmt -115.84 135.45 53.99 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.427 0.632 . . . . 0.96 111.546 -172.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 564' ' ' ALA . . . . . 0.418 ' HB2' HG23 ' A' ' 548' ' ' THR . . . -61.76 -31.18 71.35 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-N 114.779 -1.101 . . . . 0.36 111.754 -177.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 50.0 m-85 -131.14 141.05 50.06 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.674 -0.694 . . . . 1.27 109.561 -175.457 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 8.8 t -66.19 -30.78 71.32 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.934 -0.575 . . . . 0.52 110.351 178.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -66.67 -37.19 84.27 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.073 0.463 . . . . 1.91 109.999 175.074 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 568' ' ' ALA . . . . . 0.515 ' HB1' ' CA ' ' A' ' 545' ' ' GLY . . . -63.59 -45.27 91.13 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.47 -0.786 . . . . 0.28 110.519 -179.244 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -67.53 -46.58 72.41 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.651 -0.704 . . . . 0.19 111.654 -177.167 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 570' ' ' GLN . . . . . 0.511 ' O ' ' HG2' ' A' ' 574' ' ' GLN . 47.5 mt-30 -68.73 -45.39 71.64 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.238 -0.437 . . . . 1.21 111.28 -177.231 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -62.24 -42.83 99.67 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.338 -0.392 . . . . 0.31 111.568 -175.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 572' ' ' MET . . . . . 0.513 ' HB2' ' CE1' ' A' ' 576' ' ' TYR . 17.7 ptp -64.92 -45.1 87.25 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 120.758 -0.377 . . . . 0.62 110.344 -179.153 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 573' ' ' VAL . . . . . 0.686 HG13 ' HA ' ' A' ' 591' ' ' ARG . 65.2 t -66.91 -37.71 79.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.131 -0.486 . . . . 0.21 111.79 -175.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 574' ' ' GLN . . . . . 0.511 ' HG2' ' O ' ' A' ' 570' ' ' GLN . 15.8 mm100 -59.36 -37.45 77.91 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.662 -0.495 . . . . 1.9 109.662 177.736 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 58.4 t80 -69.34 -49.25 57.38 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.921 -0.582 . . . . 0.52 110.84 173.359 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 576' ' ' TYR . . . . . 0.513 ' CE1' ' HB2' ' A' ' 572' ' ' MET . 18.6 m-85 -74.88 -17.19 60.62 Favored 'General case' 0 C--O 1.222 -0.387 0 N-CA-C 113.184 0.809 . . . . 0.34 113.184 -171.62 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -78.91 -27.97 43.89 Favored 'General case' 0 C--N 1.317 -0.813 0 C-N-CA 119.929 -0.709 . . . . 1.84 110.487 174.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 39.7 mm-40 -96.66 -38.72 9.82 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.128 0.489 . . . . 2.07 110.819 179.281 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 58.8 mtpt -130.45 79.42 72.37 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-N 115.761 -0.654 . . . . 2.07 109.647 176.08 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_exo -69.36 160.35 50.14 Favored 'Trans proline' 0 C--O 1.233 0.231 0 C-N-CA 123.607 2.871 . . . . 0.19 113.188 -173.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -91.84 152.81 19.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.01 -0.541 . . . . 0.2 110.144 -176.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 44.8 mt -121.28 131.52 72.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 112.154 0.427 . . . . 0.54 112.154 -168.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 583' ' ' ILE . . . . . 0.534 HD12 HD11 ' A' ' 588' ' ' LEU . 38.1 mt -121.25 123.07 69.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.108 -0.496 . . . . 0.73 109.995 172.401 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 73.4 m-20 59.71 33.61 21.89 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 122.702 0.401 . . . . 1.46 111.305 177.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 79.01 3.25 88.07 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.397 -0.906 . . . . 0.67 112.375 -179.059 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -102.69 126.49 49.82 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.672 -0.492 . . . . 1.93 109.672 178.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 9.6 mtmp? -83.62 114.03 21.26 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.05 -0.523 . . . . 2.12 110.749 -175.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 588' ' ' LEU . . . . . 0.534 HD11 HD12 ' A' ' 583' ' ' ILE . 37.8 mt -87.83 124.25 33.44 Favored 'General case' 0 CA--C 1.505 -0.786 0 CA-C-N 115.674 -0.694 . . . . 0.28 109.793 179.234 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 32.4 tp -83.57 108.88 16.97 Favored 'General case' 0 N--CA 1.438 -1.037 0 N-CA-C 108.165 -1.05 . . . . 0.38 108.165 173.477 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 590' ' ' ILE . . . . . 0.507 ' HB ' ' CB ' ' A' ' 576' ' ' TYR . 38.6 mt -95.62 115.78 35.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 N-CA-C 108.314 -0.995 . . . . 0.17 108.314 179.549 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 591' ' ' ARG . . . . . 0.686 ' HA ' HG13 ' A' ' 573' ' ' VAL . 25.9 ptt180 -144.89 161.39 39.44 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.864 0.69 . . . . 3.0 112.864 -171.767 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 592' ' ' MET . . . . . 0.605 ' HG2' HG11 ' A' ' 573' ' ' VAL . 0.2 OUTLIER -64.16 129.16 38.88 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 114.899 -1.046 . . . . 0.33 111.219 -171.748 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 593' ' ' SER . . . . . 0.495 ' HA ' ' ND1' ' A' ' 523' ' ' HIS . 20.2 t -88.52 129.06 35.55 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.404 -0.362 . . . . 1.04 111.051 -178.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 20.0 m -96.02 -29.59 14.05 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.388 -0.369 . . . . 1.6 110.469 178.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -59.84 -40.8 89.73 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.12 -0.491 . . . . 2.94 111.084 -178.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -118.48 132.75 56.22 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.979 0.419 . . . . 0.93 110.388 -179.065 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 44.5 mmtm -91.82 -33.8 14.82 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.756 -0.831 . . . . 3.4 108.756 171.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -146.82 149.93 34.29 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.414 -1.266 . . . . 2.02 108.452 174.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 599' ' ' LEU . . . . . 0.591 HD12 ' HB2' ' A' ' 562' ' ' GLU . 92.9 mt . . . . . 0 C--N 1.322 -0.603 0 N-CA-C 109.913 -0.403 . . . . 1.02 109.913 -179.514 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 521' ' ' VAL . . . . . 0.413 HG23 ' HA ' ' A' ' 598' ' ' GLU . 90.5 t . . . . . 0 N--CA 1.449 -0.51 0 CA-C-O 121.065 0.459 . . . . 0.44 110.234 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 522' ' ' VAL . . . . . 0.418 HG13 ' O ' ' A' ' 591' ' ' ARG . 73.7 t -102.31 133.97 44.41 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.088 0 CA-C-N 115.81 -0.632 . . . . 0.25 109.96 172.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -105.1 118.19 35.9 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.55 -0.75 . . . . 1.75 109.294 179.547 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 524' ' ' ILE . . . . . . . . . . . . . 72.5 mt -103.6 129.58 55.38 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.876 0 CA-C-N 115.45 -0.796 . . . . 0.28 109.595 178.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 3.1 p -126.93 175.06 8.34 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.893 -0.594 . . . . 1.28 110.635 -177.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 66.6 32.68 6.99 Favored 'General case' 0 N--CA 1.466 0.339 0 O-C-N 123.703 0.627 . . . . 1.22 109.939 -175.505 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 82.1 mt -84.66 122.68 74.83 Favored Pre-proline 0 C--N 1.322 -0.613 0 CA-C-N 115.645 -0.707 . . . . 0.6 110.194 -178.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 528' ' ' PRO . . . . . 0.405 ' HD2' ' SG ' ' A' ' 532' ' ' CYS . 19.8 Cg_endo -64.19 130.45 27.2 Favored 'Trans proline' 0 C--O 1.236 0.42 0 C-N-CA 121.896 1.731 . . . . 0.62 112.262 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -69.71 126.74 30.62 Favored 'General case' 0 N--CA 1.443 -0.823 0 CA-C-N 115.243 -0.89 . . . . 2.98 111.037 -179.21 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 75.79 15.65 81.18 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 121.047 -0.597 . . . . 0.94 112.682 177.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 9.2 m -121.45 -33.87 3.56 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 120.92 0.391 . . . . 1.17 111.455 -178.1 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 532' ' ' CYS . . . . . 0.405 ' SG ' ' HD2' ' A' ' 528' ' ' PRO . 39.7 m -84.95 137.14 33.28 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.317 -0.402 . . . . 0.77 111.137 -175.778 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 70.9 p -105.29 170.6 7.79 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.471 -0.566 . . . . 0.54 109.471 175.159 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -62.26 -38.65 90.11 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.147 0.498 . . . . 1.32 109.699 176.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -68.35 -44.44 75.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.503 -0.771 . . . . 1.95 111.995 -176.093 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 536' ' ' ASP . . . . . 0.504 ' O ' ' HG ' ' A' ' 540' ' ' LEU . 69.4 m-20 -60.64 -46.86 88.71 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 120.735 0.303 . . . . 0.52 111.31 -173.818 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 61.4 t -63.34 -43.78 98.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.006 -0.543 . . . . 0.25 110.795 -177.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 78.6 mt -66.82 -44.57 89.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 0.24 110.415 178.425 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 539' ' ' ASN . . . . . 0.507 ' O ' ' HD3' ' A' ' 543' ' ' PRO . 95.2 m-20 -61.58 -28.95 69.71 Favored 'General case' 0 C--O 1.225 -0.216 0 CA-C-N 115.892 -0.595 . . . . 1.07 111.678 -178.562 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 540' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' A' ' 536' ' ' ASP . 46.9 mt -74.56 -34.71 62.98 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 111.627 0.232 . . . . 0.36 111.627 178.091 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -75.34 -43.46 25.08 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.225 -0.988 . . . . 0.22 112.03 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 542' ' ' LEU . . . . . 0.479 ' HA ' ' O ' ' A' ' 545' ' ' GLY . 79.1 mt -47.54 -44.7 55.54 Favored Pre-proline 0 CA--C 1.546 0.818 0 N-CA-C 115.323 1.601 . . . . 0.25 115.323 -173.484 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 543' ' ' PRO . . . . . 0.507 ' HD3' ' O ' ' A' ' 539' ' ' ASN . 76.0 Cg_exo -50.47 -34.9 43.6 Favored 'Trans proline' 0 C--N 1.357 1.021 0 C-N-CA 122.01 1.806 . . . . 0.19 115.724 -171.698 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -110.91 -18.8 13.0 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 119.861 -0.736 . . . . 0.35 112.795 179.316 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 545' ' ' GLY . . . . . 0.479 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . -143.72 138.65 8.23 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.679 -0.772 . . . . 1.14 112.973 175.034 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 546' ' ' LYS . . . . . 0.41 ' O ' ' HA ' ' A' ' 563' ' ' MET . 59.4 tptt -78.95 142.54 36.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.645 0.259 . . . . 1.56 110.748 -177.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 547' ' ' VAL . . . . . 0.402 HG11 HD11 ' A' ' 561' ' ' LEU . 92.1 t -104.68 136.02 40.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.988 -0.551 . . . . 0.25 111.473 -175.563 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 39.2 p -96.41 -40.13 9.26 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.064 -0.516 . . . . 0.37 111.076 177.339 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -163.61 168.92 19.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.984 -0.553 . . . . 1.43 109.635 179.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 14.1 p90 -140.55 150.83 44.17 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.877 0.37 . . . . 0.47 111.325 -174.271 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 551' ' ' ILE . . . . . 0.456 HD12 HD22 ' A' ' 599' ' ' LEU . 50.8 mt -132.21 122.65 48.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 108.952 -0.758 . . . . 0.37 108.952 172.14 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 552' ' ' LEU . . . . . . . . . . . . . 91.0 mt -110.78 113.59 26.3 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 120.931 0.396 . . . . 0.45 111.442 -177.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 58.8 mtt -109.62 84.06 1.86 Allowed 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.247 -0.649 . . . . 1.18 109.247 171.314 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp -67.65 -30.91 70.59 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.0 -0.545 . . . . 1.45 110.722 -175.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 65.7 p -60.07 -27.93 67.38 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.458 -0.792 . . . . 1.11 111.401 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 81.8 p -98.58 8.0 45.45 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.488 -0.323 . . . . 0.88 110.965 -177.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 55.95 42.58 28.55 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.498 -0.774 . . . . 2.35 110.04 -176.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -144.41 149.76 36.6 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.547 -0.751 . . . . 2.07 110.838 -173.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -130.01 142.74 50.59 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 115.626 -0.715 . . . . 0.27 109.491 174.225 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 560' ' ' PHE . . . . . 0.431 ' HB3' HD21 ' A' ' 599' ' ' LEU . 83.8 m-85 -124.06 126.14 45.73 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.229 0.537 . . . . 0.33 109.614 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 561' ' ' LEU . . . . . 0.64 ' HB3' ' HE1' ' A' ' 563' ' ' MET . 15.7 tp -129.78 132.52 46.56 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 115.505 -0.771 . . . . 0.22 109.026 -173.359 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 562' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -100.11 128.53 46.17 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-O 121.14 0.495 . . . . 1.85 110.53 -177.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 563' ' ' MET . . . . . 0.692 ' HG2' ' SD ' ' A' ' 572' ' ' MET . 1.0 OUTLIER -103.45 137.66 41.24 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.574 -0.739 . . . . 0.96 110.311 -179.15 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -60.19 -38.12 82.31 Favored 'General case' 0 C--O 1.218 -0.559 0 CA-C-N 114.393 -1.276 . . . . 0.36 111.651 -174.226 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -117.42 141.16 48.67 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.537 -0.542 . . . . 1.27 109.537 -177.354 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 9.7 t -64.76 -34.88 79.37 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.217 -0.447 . . . . 0.52 110.398 179.132 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -67.87 -36.05 79.59 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.094 -0.503 . . . . 1.91 110.904 176.29 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 568' ' ' ALA . . . . . 0.447 ' HB1' ' HA2' ' A' ' 545' ' ' GLY . . . -62.65 -46.09 89.83 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.992 -0.549 . . . . 0.28 110.603 179.611 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 569' ' ' ALA . . . . . 0.858 ' HA ' ' SD ' ' A' ' 572' ' ' MET . . . -63.38 -45.23 92.07 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.688 -0.687 . . . . 0.19 111.522 -178.441 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 570' ' ' GLN . . . . . 0.536 ' O ' ' HG3' ' A' ' 574' ' ' GLN . 48.7 mt-30 -68.32 -45.9 71.71 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.147 -0.479 . . . . 1.21 111.193 -178.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -66.01 -35.52 80.79 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.527 -0.306 . . . . 0.31 111.506 -176.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 572' ' ' MET . . . . . 0.858 ' SD ' ' HA ' ' A' ' 569' ' ' ALA . 4.2 ptm -67.17 -45.94 75.47 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.84 -0.429 . . . . 0.62 109.84 179.243 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 573' ' ' VAL . . . . . 0.535 HG13 ' HA ' ' A' ' 591' ' ' ARG . 55.5 t -66.67 -36.92 78.42 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.444 0 CA-C-N 116.281 -0.418 . . . . 0.21 110.66 -178.815 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 574' ' ' GLN . . . . . 0.536 ' HG3' ' O ' ' A' ' 570' ' ' GLN . 55.7 mt-30 -58.55 -36.33 73.73 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.683 -0.488 . . . . 1.9 109.683 176.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 81.9 t80 -68.23 -50.35 54.63 Favored 'General case' 0 C--O 1.221 -0.412 0 CA-C-N 116.446 -0.343 . . . . 0.52 111.014 173.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 576' ' ' TYR . . . . . 0.426 ' CB ' ' HB ' ' A' ' 590' ' ' ILE . 28.1 m-85 -74.08 -16.08 61.04 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 112.329 0.492 . . . . 0.34 112.329 -173.362 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 67.4 mm-40 -74.99 -30.76 61.26 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 120.743 0.306 . . . . 1.84 111.192 173.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -98.5 -40.18 8.38 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.002 0.43 . . . . 2.07 111.295 177.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 60.0 mtpt -128.55 81.8 69.93 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-N 115.857 -0.61 . . . . 2.07 109.528 177.146 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -70.01 160.12 50.77 Favored 'Trans proline' 0 C--O 1.234 0.292 0 C-N-CA 123.548 2.832 . . . . 0.19 112.565 -174.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 581' ' ' ALA . . . . . 0.447 ' HB1' HD22 ' A' ' 540' ' ' LEU . . . -92.56 153.43 19.05 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.143 -0.48 . . . . 0.2 110.458 -175.172 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 60.7 mt -121.25 135.88 59.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 112.018 0.377 . . . . 0.54 112.018 -170.333 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 583' ' ' ILE . . . . . 0.425 HD12 HD11 ' A' ' 588' ' ' LEU . 24.4 mt -122.29 120.96 62.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 116.241 -0.436 . . . . 0.73 110.199 171.349 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 56.59 35.7 26.47 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 115.977 -0.556 . . . . 1.46 111.718 177.024 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 85.56 1.75 87.47 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.786 -0.721 . . . . 0.67 112.847 177.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -106.5 127.01 52.98 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.794 0.33 . . . . 1.93 110.348 179.041 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -81.23 118.52 22.66 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.104 -0.498 . . . . 2.12 110.303 -178.299 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 588' ' ' LEU . . . . . 0.425 HD11 HD12 ' A' ' 583' ' ' ILE . 37.6 mt -90.12 140.45 29.64 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.856 -0.611 . . . . 0.28 110.212 -179.553 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 59.0 tp -89.52 108.1 19.46 Favored 'General case' 0 C--N 1.312 -1.046 0 N-CA-C 108.621 -0.881 . . . . 0.38 108.621 171.146 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 590' ' ' ILE . . . . . 0.426 ' HB ' ' CB ' ' A' ' 576' ' ' TYR . 52.5 mt -97.17 114.3 33.81 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 N-CA-C 107.648 -1.242 . . . . 0.17 107.648 174.486 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 591' ' ' ARG . . . . . 0.535 ' HA ' HG13 ' A' ' 573' ' ' VAL . 12.4 ptm180 -137.95 163.56 31.22 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.185 0.516 . . . . 3.0 112.289 -172.368 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 592' ' ' MET . . . . . 0.524 ' HG2' HG11 ' A' ' 573' ' ' VAL . 0.1 OUTLIER -66.77 129.73 40.84 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.404 -0.816 . . . . 0.33 109.452 177.839 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 92.4 p -72.64 138.64 46.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.025 0.44 . . . . 1.04 110.17 179.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 14.0 p -98.66 -15.47 19.4 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 116.095 -0.502 . . . . 1.6 111.503 -178.151 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 51.2 mtm180 -107.34 -12.31 15.36 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 111.822 0.305 . . . . 2.94 111.822 -176.368 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 35.6 m-85 -122.57 133.43 54.55 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.945 0.402 . . . . 0.93 111.048 -176.256 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -92.66 -41.96 9.89 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.277 0.56 . . . . 3.4 109.55 172.116 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 598' ' ' GLU . . . . . 0.413 ' HA ' HG23 ' A' ' 521' ' ' VAL . 0.6 OUTLIER -152.87 163.29 40.04 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.131 -0.94 . . . . 2.02 109.026 178.103 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 599' ' ' LEU . . . . . 0.456 HD22 HD12 ' A' ' 551' ' ' ILE . 98.1 mt . . . . . 0 C--N 1.322 -0.617 0 N-CA-C 109.986 -0.375 . . . . 1.02 109.986 179.435 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 521' ' ' VAL . . . . . 0.478 HG22 ' HG ' ' A' ' 599' ' ' LEU . 74.0 t . . . . . 0 N--CA 1.449 -0.512 0 CA-C-O 121.471 0.653 . . . . 0.44 111.728 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 522' ' ' VAL . . . . . . . . . . . . . 84.5 t -106.7 135.25 45.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-N 114.861 -1.063 . . . . 0.25 108.983 173.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 4.2 p-80 -105.37 137.03 43.84 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.238 -0.585 . . . . 1.75 109.587 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 524' ' ' ILE . . . . . 0.619 HD12 HG13 ' A' ' 537' ' ' VAL . 74.1 mt -111.36 125.48 68.68 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.952 0 CA-C-N 115.588 -0.733 . . . . 0.28 110.191 179.34 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 525' ' ' CYS . . . . . 0.496 ' SG ' ' HB3' ' A' ' 589' ' ' LEU . 22.7 p -118.15 176.53 5.17 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.664 -0.698 . . . . 1.28 110.195 -178.523 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 526' ' ' ASN . . . . . 0.401 ' HB2' ' O ' ' A' ' 525' ' ' CYS . 18.7 m120 69.76 26.52 4.85 Favored 'General case' 0 N--CA 1.464 0.237 0 O-C-N 123.829 0.705 . . . . 1.22 110.349 -177.442 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 79.0 mt -81.81 121.72 79.6 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 115.764 -0.653 . . . . 0.6 111.485 -176.405 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 528' ' ' PRO . . . . . 0.49 ' HD2' ' SG ' ' A' ' 532' ' ' CYS . 45.9 Cg_endo -69.28 133.01 25.35 Favored 'Trans proline' 0 C--O 1.236 0.424 0 C-N-CA 122.875 2.384 . . . . 0.62 111.823 174.596 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -67.52 124.62 23.71 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.905 -0.589 . . . . 2.98 111.135 -177.214 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 73.15 5.96 67.51 Favored Glycine 0 CA--C 1.519 0.327 0 CA-C-N 116.131 -0.486 . . . . 0.94 113.703 174.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 23.6 t -104.9 -35.56 7.66 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 117.301 0.55 . . . . 1.17 110.613 -179.143 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 532' ' ' CYS . . . . . 0.49 ' SG ' ' HD2' ' A' ' 528' ' ' PRO . 76.5 m -85.91 141.96 29.19 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.371 -0.377 . . . . 0.77 110.17 176.089 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 46.8 p -105.39 170.02 8.13 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.81 -0.441 . . . . 0.54 109.81 178.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -55.34 -44.13 75.62 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.23 0.538 . . . . 1.32 109.845 175.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.27 -43.11 87.37 Favored 'General case' 0 C--O 1.221 -0.436 0 CA-C-N 115.289 -0.869 . . . . 1.95 111.641 -175.139 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 536' ' ' ASP . . . . . 0.6 ' O ' ' HG ' ' A' ' 540' ' ' LEU . 15.7 m-20 -58.55 -46.81 86.06 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.881 -0.328 . . . . 0.52 111.356 -177.26 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 537' ' ' VAL . . . . . 0.619 HG13 HD12 ' A' ' 524' ' ' ILE . 48.6 t -62.36 -45.48 98.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.961 -0.563 . . . . 0.25 110.734 -177.6 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 88.9 mt -67.26 -44.96 87.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.915 -0.584 . . . . 0.24 110.925 179.204 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 539' ' ' ASN . . . . . 0.535 ' O ' ' HD3' ' A' ' 543' ' ' PRO . 5.8 m-20 -62.93 -28.28 69.96 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.495 -0.775 . . . . 1.07 111.832 -177.43 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 540' ' ' LEU . . . . . 0.6 ' HG ' ' O ' ' A' ' 536' ' ' ASP . 31.6 mt -66.25 -38.93 89.03 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 111.74 0.274 . . . . 0.36 111.74 178.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -74.89 -39.18 39.46 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.28 -0.962 . . . . 0.22 112.455 -177.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 542' ' ' LEU . . . . . 0.524 ' HA ' ' O ' ' A' ' 545' ' ' GLY . 79.1 mt -48.72 -46.62 72.41 Favored Pre-proline 0 CA--C 1.543 0.707 0 N-CA-C 114.969 1.47 . . . . 0.25 114.969 -172.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 543' ' ' PRO . . . . . 0.535 ' HD3' ' O ' ' A' ' 539' ' ' ASN . 69.7 Cg_exo -49.74 -33.75 33.28 Favored 'Trans proline' 0 C--N 1.358 1.027 0 C-N-CA 122.191 1.928 . . . . 0.19 115.374 -173.29 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 544' ' ' PHE . . . . . 0.503 ' HB2' ' CB ' ' A' ' 572' ' ' MET . 93.6 m-85 -111.32 -17.98 13.03 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 113.012 0.745 . . . . 0.35 113.012 178.809 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 545' ' ' GLY . . . . . 0.524 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . -149.67 141.74 9.13 Favored Glycine 0 CA--C 1.522 0.503 0 C-N-CA 120.912 -0.661 . . . . 1.14 112.935 177.004 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 546' ' ' LYS . . . . . 0.434 ' O ' ' HA ' ' A' ' 563' ' ' MET . 59.1 tptt -74.41 135.59 42.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.758 0.313 . . . . 1.56 111.377 -178.609 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 547' ' ' VAL . . . . . 0.481 ' HA ' ' O ' ' A' ' 562' ' ' GLU . 89.3 t -91.68 136.08 25.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.646 -0.706 . . . . 0.25 110.961 179.128 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 31.7 p -104.31 -38.26 6.92 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.771 -0.65 . . . . 0.37 111.505 176.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 60.3 m-80 -150.12 165.79 31.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.011 -0.54 . . . . 1.43 110.248 -176.142 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 18.2 p90 -146.83 149.66 33.73 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 110.005 -0.368 . . . . 0.47 110.005 173.451 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 551' ' ' ILE . . . . . 0.404 HD12 HD22 ' A' ' 599' ' ' LEU . 34.6 mt -137.59 127.35 36.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 109.078 -0.712 . . . . 0.37 109.078 173.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 552' ' ' LEU . . . . . . . . . . . . . 53.4 mt -110.18 110.78 21.75 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 116.111 -0.495 . . . . 0.45 111.179 -175.107 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 26.3 mmt -96.04 84.11 3.76 Favored 'General case' 0 N--CA 1.445 -0.694 0 N-CA-C 108.865 -0.791 . . . . 1.18 108.865 175.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -68.6 -29.42 67.94 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.229 -0.896 . . . . 1.45 109.804 -179.455 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 61.2 p -63.16 -31.48 72.63 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.19 -0.914 . . . . 1.11 111.878 178.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 82.8 p -105.22 3.15 29.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.872 0.367 . . . . 0.88 110.574 -178.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 56.92 41.52 27.71 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.175 -0.92 . . . . 2.35 110.87 -176.446 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 -137.94 150.07 46.73 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.938 -0.574 . . . . 2.07 110.242 -174.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -129.95 143.79 50.98 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.724 0.297 . . . . 0.27 111.032 -178.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 560' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -126.18 132.99 51.68 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.866 -0.607 . . . . 0.33 110.131 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 561' ' ' LEU . . . . . 0.489 ' HB3' ' HE1' ' A' ' 563' ' ' MET . 18.1 tp -127.16 138.7 53.2 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.049 -0.523 . . . . 0.22 109.971 -175.716 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 562' ' ' GLU . . . . . 0.481 ' O ' ' HA ' ' A' ' 547' ' ' VAL . 30.8 tt0 -107.63 138.85 43.11 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.481 0.182 . . . . 1.85 110.966 -175.442 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 563' ' ' MET . . . . . 0.493 ' HE2' ' SD ' ' A' ' 572' ' ' MET . 1.2 mpt? -116.33 142.86 46.3 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.323 0.582 . . . . 0.96 111.779 -177.388 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -67.24 -23.24 65.69 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.075 -0.966 . . . . 0.36 112.317 -175.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -133.91 146.35 50.44 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 116.532 -0.303 . . . . 1.27 110.187 -179.121 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 4.1 t -65.39 -39.63 92.48 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.221 -0.445 . . . . 0.52 110.582 179.409 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -67.85 -31.66 71.63 Favored 'General case' 0 C--O 1.223 -0.291 0 CA-C-N 116.662 -0.245 . . . . 1.91 110.509 176.281 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 568' ' ' ALA . . . . . 0.437 ' HB1' ' CA ' ' A' ' 545' ' ' GLY . . . -62.11 -45.14 94.8 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.012 0.434 . . . . 0.28 109.923 177.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 569' ' ' ALA . . . . . 0.457 ' O ' ' HG2' ' A' ' 572' ' ' MET . . . -68.09 -46.3 71.37 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.782 -0.644 . . . . 0.19 111.384 178.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 570' ' ' GLN . . . . . 0.454 ' O ' ' HG3' ' A' ' 574' ' ' GLN . 50.4 mt-30 -68.51 -45.47 72.19 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.36 -0.382 . . . . 1.21 111.604 -176.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -62.18 -39.86 94.11 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.523 0.201 . . . . 0.31 111.393 -176.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 572' ' ' MET . . . . . 0.503 ' CB ' ' HB2' ' A' ' 544' ' ' PHE . 15.5 ptp -67.06 -43.45 82.65 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 109.678 -0.49 . . . . 0.62 109.678 179.413 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 573' ' ' VAL . . . . . 0.761 HG13 ' HA ' ' A' ' 591' ' ' ARG . 67.8 t -66.62 -37.04 78.72 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.666 0 CA-C-N 115.99 -0.55 . . . . 0.21 111.169 -178.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 574' ' ' GLN . . . . . 0.454 ' HG3' ' O ' ' A' ' 570' ' ' GLN . 55.1 mt-30 -58.56 -36.76 74.44 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.643 -0.502 . . . . 1.9 109.643 175.494 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 61.8 t80 -68.71 -50.05 53.98 Favored 'General case' 0 C--O 1.217 -0.638 0 CA-C-N 115.987 -0.551 . . . . 0.52 110.8 173.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 576' ' ' TYR . . . . . 0.48 ' CB ' ' HB ' ' A' ' 590' ' ' ILE . 21.1 m-85 -76.59 -16.95 59.46 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 112.95 0.722 . . . . 0.34 112.95 -172.723 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 16.7 mm-40 -74.14 -29.64 61.9 Favored 'General case' 0 C--N 1.319 -0.757 0 O-C-N 122.215 -0.303 . . . . 1.84 110.465 172.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -98.34 -40.52 8.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.951 0.405 . . . . 2.07 111.74 178.426 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 57.2 mtpt -131.81 80.76 64.96 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 115.91 -0.586 . . . . 2.07 109.842 179.292 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 15.7 Cg_exo -70.35 159.43 53.0 Favored 'Trans proline' 0 CA--C 1.532 0.409 0 C-N-CA 123.577 2.851 . . . . 0.19 112.451 -174.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -93.15 149.2 21.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.325 -0.398 . . . . 0.2 111.055 -172.221 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 582' ' ' ILE . . . . . 0.405 ' HA ' ' O ' ' A' ' 586' ' ' GLU . 61.3 mt -112.25 131.33 64.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.378 -0.374 . . . . 0.54 111.508 -175.015 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 583' ' ' ILE . . . . . 0.541 HD13 ' HB3' ' A' ' 536' ' ' ASP . 41.7 mt -122.23 117.91 53.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.291 -0.413 . . . . 0.73 110.437 173.146 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 53.72 41.83 31.97 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.854 -0.612 . . . . 1.46 111.624 177.057 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 86.33 -1.37 87.45 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.872 -0.68 . . . . 0.67 113.337 177.326 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 586' ' ' GLU . . . . . 0.405 ' O ' ' HA ' ' A' ' 582' ' ' ILE . 70.5 mm-40 -102.51 126.23 49.49 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 117.139 0.47 . . . . 1.93 110.516 178.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -81.51 107.85 14.61 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.822 -0.436 . . . . 2.12 109.822 176.012 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 588' ' ' LEU . . . . . 0.539 HD11 HD12 ' A' ' 583' ' ' ILE . 37.8 mt -87.92 129.91 35.09 Favored 'General case' 0 CA--C 1.507 -0.708 0 CA-C-N 116.183 -0.462 . . . . 0.28 110.339 -179.192 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 589' ' ' LEU . . . . . 0.496 ' HB3' ' SG ' ' A' ' 525' ' ' CYS . 48.0 tp -87.62 108.76 19.23 Favored 'General case' 0 C--N 1.311 -1.08 0 N-CA-C 108.85 -0.796 . . . . 0.38 108.85 173.399 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 590' ' ' ILE . . . . . 0.48 ' HB ' ' CB ' ' A' ' 576' ' ' TYR . 45.1 mt -97.29 115.52 37.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 N-CA-C 108.334 -0.987 . . . . 0.17 108.334 177.222 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 591' ' ' ARG . . . . . 0.761 ' HA ' HG13 ' A' ' 573' ' ' VAL . 7.7 ptp180 -147.95 166.26 28.22 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 112.635 0.606 . . . . 3.0 112.635 -175.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 592' ' ' MET . . . . . 0.581 ' HG2' HG11 ' A' ' 573' ' ' VAL . 0.2 OUTLIER -61.7 133.87 56.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.239 -0.891 . . . . 0.33 110.249 -173.232 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 22.6 t -87.1 126.77 34.99 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-O 120.879 0.371 . . . . 1.04 110.372 179.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 39.5 p -99.29 -7.5 26.28 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.44 0.638 . . . . 1.6 110.074 175.397 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 36.3 mmt180 -87.61 -40.27 14.35 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 115.388 -0.823 . . . . 2.94 111.04 -179.259 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -117.47 133.24 56.18 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.059 0.457 . . . . 0.93 110.795 178.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -92.15 -34.96 14.12 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.52 -0.764 . . . . 3.4 110.865 175.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -149.23 144.75 26.73 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.572 -0.74 . . . . 2.02 110.263 -177.081 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 599' ' ' LEU . . . . . 0.478 ' HG ' HG22 ' A' ' 521' ' ' VAL . 87.8 mt . . . . . 0 C--N 1.32 -0.679 0 N-CA-C 109.388 -0.597 . . . . 1.02 109.388 173.153 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 81.4 t . . . . . 0 N--CA 1.449 -0.477 0 CA-C-O 121.006 0.432 . . . . 0.44 110.475 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 522' ' ' VAL . . . . . 0.44 HG22 ' HE3' ' A' ' 592' ' ' MET . 95.1 t -101.68 133.8 44.02 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.853 0 N-CA-C 109.093 -0.706 . . . . 0.25 109.093 173.494 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -106.92 129.42 54.74 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.5 -0.556 . . . . 1.75 109.5 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 524' ' ' ILE . . . . . 0.658 HD12 HG13 ' A' ' 537' ' ' VAL . 74.6 mt -107.36 129.21 61.59 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.958 0 CA-C-N 115.793 -0.64 . . . . 0.28 109.863 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 7.6 p -121.72 174.9 6.54 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.642 -0.708 . . . . 1.28 111.094 -174.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 16.9 m120 66.7 33.97 6.01 Favored 'General case' 0 N--CA 1.463 0.22 0 O-C-N 123.738 0.649 . . . . 1.22 110.555 178.327 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 85.2 mt -90.32 120.99 69.04 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 115.457 -0.792 . . . . 0.6 111.176 -177.122 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 528' ' ' PRO . . . . . 0.762 ' HD2' ' SG ' ' A' ' 532' ' ' CYS . 12.6 Cg_exo -70.21 131.04 19.8 Favored 'Trans proline' 0 C--O 1.237 0.431 0 C-N-CA 122.542 2.161 . . . . 0.62 111.926 171.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.42 140.33 54.13 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.374 -0.375 . . . . 2.98 110.772 175.333 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 83.73 -18.45 20.29 Favored Glycine 0 N--CA 1.448 -0.52 0 CA-C-N 115.906 -0.588 . . . . 0.94 113.513 177.13 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 17.8 m -104.74 -36.8 7.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 117.325 0.563 . . . . 1.17 110.831 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 532' ' ' CYS . . . . . 0.762 ' SG ' ' HD2' ' A' ' 528' ' ' PRO . 73.5 m -87.8 124.98 34.18 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.753 0.311 . . . . 0.77 110.214 174.349 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 59.2 p -108.37 171.13 7.59 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.375 -0.375 . . . . 0.54 110.227 178.532 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -52.21 -46.94 65.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.032 0.444 . . . . 1.32 110.24 178.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -59.56 -43.13 93.65 Favored 'General case' 0 C--O 1.223 -0.294 0 CA-C-N 115.448 -0.796 . . . . 1.95 111.599 -177.475 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 536' ' ' ASP . . . . . 0.509 ' O ' ' HG ' ' A' ' 540' ' ' LEU . 60.8 m-20 -61.29 -47.64 85.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.837 0.351 . . . . 0.52 111.127 -174.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 537' ' ' VAL . . . . . 0.658 HG13 HD12 ' A' ' 524' ' ' ILE . 57.6 t -65.65 -44.39 93.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.723 -0.671 . . . . 0.25 110.628 -177.108 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 93.0 mt -67.0 -43.15 89.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.757 -0.656 . . . . 0.24 110.903 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 539' ' ' ASN . . . . . 0.676 ' O ' ' HD3' ' A' ' 543' ' ' PRO . 7.2 m-20 -64.4 -28.48 69.71 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.904 -0.589 . . . . 1.07 111.744 -179.301 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 540' ' ' LEU . . . . . 0.509 ' HG ' ' O ' ' A' ' 536' ' ' ASP . 37.5 mt -74.43 -28.65 61.15 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.447 0.536 . . . . 0.36 112.447 -178.562 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -79.64 -34.65 30.9 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 119.867 -1.159 . . . . 0.22 111.71 177.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 542' ' ' LEU . . . . . . . . . . . . . 66.1 mt -57.43 -35.23 32.6 Favored Pre-proline 0 CA--C 1.549 0.924 0 N-CA-C 115.835 1.791 . . . . 0.25 115.835 -174.395 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 543' ' ' PRO . . . . . 0.676 ' HD3' ' O ' ' A' ' 539' ' ' ASN . 86.1 Cg_exo -56.27 -34.34 93.47 Favored 'Trans proline' 0 C--N 1.354 0.849 0 CA-C-N 121.645 1.623 . . . . 0.19 114.904 -175.646 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 544' ' ' PHE . . . . . 0.402 ' HB2' ' CB ' ' A' ' 572' ' ' MET . 59.6 m-85 -111.84 -18.2 12.76 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 113.307 0.854 . . . . 0.35 113.307 178.63 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 545' ' ' GLY . . . . . 0.465 ' CA ' ' HB1' ' A' ' 568' ' ' ALA . . . -134.24 -162.54 9.97 Favored Glycine 0 C--O 1.224 -0.489 0 C-N-CA 120.776 -0.726 . . . . 1.14 113.354 178.223 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 546' ' ' LYS . . . . . 0.689 ' O ' ' HA ' ' A' ' 563' ' ' MET . 56.9 tptt -128.75 127.63 42.42 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 122.706 -0.29 . . . . 1.56 110.596 -179.755 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 547' ' ' VAL . . . . . 0.524 ' HA ' ' O ' ' A' ' 562' ' ' GLU . 99.5 t -91.16 130.53 40.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 123.363 0.414 . . . . 0.25 110.838 179.791 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 548' ' ' THR . . . . . 0.452 ' CG2' ' HB2' ' A' ' 564' ' ' ALA . 34.0 p -107.64 -39.16 5.68 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.911 -0.586 . . . . 0.37 111.57 176.608 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 73.0 m-20 -147.78 165.45 30.51 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.452 -0.795 . . . . 1.43 109.451 -175.319 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 17.4 p90 -153.39 148.35 26.6 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.074 0.464 . . . . 0.47 111.212 177.323 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 551' ' ' ILE . . . . . 0.433 HD12 HD22 ' A' ' 599' ' ' LEU . 15.6 mt -130.2 123.48 56.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 108.887 -0.783 . . . . 0.37 108.887 175.239 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 552' ' ' LEU . . . . . . . . . . . . . 77.2 mt -111.29 113.73 26.42 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 116.022 -0.535 . . . . 0.45 111.37 -174.171 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 54.7 mtt -108.4 84.86 2.01 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.423 -0.584 . . . . 1.18 109.423 175.369 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -68.5 -30.5 69.34 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.884 -0.598 . . . . 1.45 111.201 -177.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 71.7 p -60.7 -30.3 69.87 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.207 -0.451 . . . . 1.11 111.4 -179.56 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 556' ' ' THR . . . . . 0.53 ' O ' ' HG2' ' A' ' 558' ' ' GLN . 67.7 p -108.25 8.97 28.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.466 -0.334 . . . . 0.88 111.639 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 56.84 42.08 27.05 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 115.949 -0.569 . . . . 2.35 111.457 -179.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 558' ' ' GLN . . . . . 0.53 ' HG2' ' O ' ' A' ' 556' ' ' THR . 13.8 mm100 -136.25 148.78 48.2 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.77 0.319 . . . . 2.07 110.635 -174.599 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -134.83 144.81 47.8 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.311 -0.404 . . . . 0.27 110.839 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 560' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -123.35 126.79 47.49 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.07 -0.514 . . . . 0.33 109.664 179.289 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 15.5 tp -124.08 130.48 52.62 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.034 -0.53 . . . . 0.22 109.8 -174.16 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 562' ' ' GLU . . . . . 0.524 ' O ' ' HA ' ' A' ' 547' ' ' VAL . 39.3 tt0 -101.13 139.58 36.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.782 0.325 . . . . 1.85 111.57 -175.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 563' ' ' MET . . . . . 0.689 ' HA ' ' O ' ' A' ' 546' ' ' LYS . 0.6 OUTLIER -114.19 135.21 54.3 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.893 -0.594 . . . . 0.96 111.147 179.144 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 564' ' ' ALA . . . . . 0.452 ' HB2' ' CG2' ' A' ' 548' ' ' THR . . . -60.86 -29.48 69.55 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-N 115.053 -0.976 . . . . 0.36 111.175 -178.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -126.2 133.21 51.6 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 114.967 -1.015 . . . . 1.27 108.544 -177.387 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 5.1 t -63.67 -31.29 72.41 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.871 0.367 . . . . 0.52 110.576 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -66.66 -33.05 74.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 1.91 110.478 176.33 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 568' ' ' ALA . . . . . 0.465 ' HB1' ' CA ' ' A' ' 545' ' ' GLY . . . -65.4 -43.67 89.88 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.048 -0.524 . . . . 0.28 110.193 178.546 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 569' ' ' ALA . . . . . 0.41 ' HB2' ' HB2' ' A' ' 563' ' ' MET . . . -67.69 -46.24 72.86 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.733 -0.667 . . . . 0.19 111.233 -179.804 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 570' ' ' GLN . . . . . 0.462 ' O ' ' HG2' ' A' ' 574' ' ' GLN . 48.8 mt-30 -66.62 -45.47 78.99 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.112 -0.495 . . . . 1.21 111.147 -177.762 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -66.55 -37.82 85.79 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.559 -0.291 . . . . 0.31 111.701 -176.247 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 572' ' ' MET . . . . . 0.537 ' SD ' ' HE2' ' A' ' 563' ' ' MET . 15.8 ptp -68.08 -43.68 78.0 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.572 -0.451 . . . . 0.62 109.994 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 573' ' ' VAL . . . . . 0.622 HG13 ' HA ' ' A' ' 591' ' ' ARG . 78.1 t -66.5 -35.27 74.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.959 -0.564 . . . . 0.21 111.387 -178.506 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 574' ' ' GLN . . . . . 0.462 ' HG2' ' O ' ' A' ' 570' ' ' GLN . 29.2 mm-40 -58.02 -38.19 75.73 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.451 -0.574 . . . . 1.9 109.451 175.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 575' ' ' TYR . . . . . 0.454 ' HD2' ' CD2' ' A' ' 576' ' ' TYR . 78.5 t80 -69.77 -49.79 49.57 Favored 'General case' 0 C--O 1.218 -0.553 0 CA-C-N 115.88 -0.6 . . . . 0.52 111.117 173.262 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 576' ' ' TYR . . . . . 0.491 ' CB ' ' HB ' ' A' ' 590' ' ' ILE . 20.1 m-85 -75.91 -17.57 59.72 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 113.41 0.893 . . . . 0.34 113.41 -170.34 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -76.18 -33.26 59.31 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 119.996 -0.682 . . . . 1.84 110.71 173.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -95.59 -37.55 10.8 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.155 -0.475 . . . . 2.07 111.077 -178.054 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -130.06 76.26 78.27 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.0 -0.545 . . . . 2.07 109.8 177.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_exo -70.2 159.37 53.33 Favored 'Trans proline' 0 C--O 1.234 0.324 0 C-N-CA 123.356 2.704 . . . . 0.19 113.051 -174.321 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -93.32 153.12 18.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.662 -0.699 . . . . 0.2 110.813 -174.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 582' ' ' ILE . . . . . 0.44 HG12 ' HG2' ' A' ' 587' ' ' LYS . 49.3 mt -115.61 132.9 63.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 120.973 0.416 . . . . 0.54 111.974 -172.412 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 583' ' ' ILE . . . . . 0.586 HD12 HD11 ' A' ' 588' ' ' LEU . 22.6 mt -122.04 116.57 49.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.963 -0.562 . . . . 0.73 110.546 172.246 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 47.0 m-80 50.69 45.35 27.1 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 116.07 -0.514 . . . . 1.46 112.19 -179.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 83.52 1.14 90.2 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.773 -0.727 . . . . 0.67 113.344 175.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 586' ' ' GLU . . . . . 0.407 ' O ' ' HA ' ' A' ' 582' ' ' ILE . 23.9 mm-40 -102.81 126.47 49.96 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.905 0.353 . . . . 1.93 110.193 178.13 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 587' ' ' LYS . . . . . 0.44 ' HG2' HG12 ' A' ' 582' ' ' ILE . 98.9 mttt -84.95 107.57 17.15 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.865 -0.42 . . . . 2.12 109.865 177.521 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 588' ' ' LEU . . . . . 0.586 HD11 HD12 ' A' ' 583' ' ' ILE . 35.6 mt -83.22 128.59 34.62 Favored 'General case' 0 CA--C 1.501 -0.916 0 CA-C-N 116.326 -0.397 . . . . 0.28 110.332 -177.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 32.8 tp -84.06 106.85 16.04 Favored 'General case' 0 N--CA 1.433 -1.296 0 N-CA-C 108.133 -1.062 . . . . 0.38 108.133 171.494 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 590' ' ' ILE . . . . . 0.491 ' HB ' ' CB ' ' A' ' 576' ' ' TYR . 63.8 mt -96.26 115.31 35.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 N-CA-C 107.867 -1.161 . . . . 0.17 107.867 177.325 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 591' ' ' ARG . . . . . 0.622 ' HA ' HG13 ' A' ' 573' ' ' VAL . 19.9 ptt180 -147.32 165.31 30.52 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 112.392 0.515 . . . . 3.0 112.392 -171.007 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 592' ' ' MET . . . . . 0.505 ' HG2' HG11 ' A' ' 573' ' ' VAL . 0.1 OUTLIER -63.15 143.3 57.91 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.499 -0.773 . . . . 0.33 110.637 -173.508 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 38.3 t -86.89 134.95 33.48 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.828 0.347 . . . . 1.04 110.381 176.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 10.8 m -99.03 -17.2 18.39 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.41 0.624 . . . . 1.6 109.807 174.216 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -85.24 -40.83 16.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.718 -0.674 . . . . 2.94 111.283 -176.473 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 43.0 m-85 -114.07 134.01 55.15 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.245 0.545 . . . . 0.93 111.385 -178.047 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -90.5 -35.61 14.99 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.109 -0.951 . . . . 3.4 109.434 173.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -153.61 148.92 27.04 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.204 -0.907 . . . . 2.02 109.365 -179.068 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 599' ' ' LEU . . . . . 0.45 HD12 ' HB2' ' A' ' 562' ' ' GLU . 91.5 mt . . . . . 0 C--N 1.32 -0.697 0 N-CA-C 109.568 -0.53 . . . . 1.02 109.568 175.287 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 76.5 t . . . . . 0 N--CA 1.448 -0.543 0 CA-C-O 120.95 0.405 . . . . 0.44 110.093 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 522' ' ' VAL . . . . . 0.419 HG11 ' CG2' ' A' ' 590' ' ' ILE . 83.3 t -100.93 133.1 45.26 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 CA-C-N 115.991 -0.55 . . . . 0.25 110.294 176.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 19.3 t-160 -106.84 117.94 35.37 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.394 -0.965 . . . . 1.75 108.394 178.182 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 524' ' ' ILE . . . . . 0.514 HD12 HG13 ' A' ' 537' ' ' VAL . 82.0 mt -101.43 129.57 52.33 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.913 0 CA-C-O 121.032 0.444 . . . . 0.28 110.474 -173.645 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 525' ' ' CYS . . . . . 0.602 ' HA ' ' OE1' ' A' ' 558' ' ' GLN . 8.5 m -114.01 171.5 7.56 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 114.959 -1.019 . . . . 1.28 110.587 -174.503 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 67.31 26.22 8.58 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.835 -0.62 . . . . 1.22 110.771 178.122 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 527' ' ' LEU . . . . . 0.477 HD21 HD13 ' A' ' 588' ' ' LEU . 82.2 mt -81.78 132.43 54.54 Favored Pre-proline 0 C--N 1.321 -0.639 0 CA-C-N 115.758 -0.655 . . . . 0.6 110.486 179.196 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 528' ' ' PRO . . . . . 0.507 ' HD2' ' SG ' ' A' ' 532' ' ' CYS . 37.4 Cg_endo -69.53 132.36 23.53 Favored 'Trans proline' 0 C--O 1.238 0.502 0 C-N-CA 122.279 1.986 . . . . 0.62 111.361 171.24 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -67.29 125.15 25.18 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.145 -0.48 . . . . 2.98 111.617 -177.322 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 77.36 -18.22 4.57 Favored Glycine 0 CA--C 1.519 0.339 0 CA-C-N 116.02 -0.536 . . . . 0.94 114.046 172.581 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 8.5 t -82.84 -33.98 26.95 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 117.274 0.537 . . . . 1.17 110.265 -177.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 532' ' ' CYS . . . . . 0.507 ' SG ' ' HD2' ' A' ' 528' ' ' PRO . 56.1 m -68.96 143.48 54.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.938 -0.574 . . . . 0.77 110.383 178.568 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 44.7 p -105.91 169.19 8.63 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.501 -0.555 . . . . 0.54 109.501 174.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -62.44 -37.71 86.92 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.485 0.66 . . . . 1.32 109.393 175.461 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -68.45 -44.17 75.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 114.951 -1.022 . . . . 1.95 111.732 -174.149 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 536' ' ' ASP . . . . . 0.469 ' O ' ' HG ' ' A' ' 540' ' ' LEU . 40.7 m-20 -60.59 -47.57 85.62 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 120.852 0.358 . . . . 0.52 111.65 -175.436 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 537' ' ' VAL . . . . . 0.514 HG13 HD12 ' A' ' 524' ' ' ILE . 76.9 t -62.5 -42.27 95.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.85 -0.614 . . . . 0.25 110.65 -176.76 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 538' ' ' ILE . . . . . 0.486 ' O ' ' HG ' ' A' ' 542' ' ' LEU . 85.2 mt -67.24 -44.95 87.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 116.097 -0.502 . . . . 0.24 110.4 177.573 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 539' ' ' ASN . . . . . 0.439 ' O ' ' HD3' ' A' ' 543' ' ' PRO . 84.7 m-20 -60.48 -28.89 68.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.796 -0.638 . . . . 1.07 111.523 -179.232 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 540' ' ' LEU . . . . . 0.514 HD22 ' HB1' ' A' ' 581' ' ' ALA . 43.3 mt -75.12 -34.31 61.67 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.013 0.375 . . . . 0.36 112.013 178.589 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -75.33 -42.81 27.06 Favored Glycine 0 N--CA 1.453 -0.195 0 C-N-CA 120.218 -0.991 . . . . 0.22 112.221 -178.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 542' ' ' LEU . . . . . 0.573 ' HA ' ' O ' ' A' ' 545' ' ' GLY . 82.1 mt -48.11 -44.31 60.42 Favored Pre-proline 0 CA--C 1.546 0.814 0 N-CA-C 114.963 1.468 . . . . 0.25 114.963 -174.372 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 543' ' ' PRO . . . . . 0.455 ' HD2' ' O ' ' A' ' 540' ' ' LEU . 44.9 Cg_exo -48.02 -34.74 23.81 Favored 'Trans proline' 0 C--N 1.36 1.176 0 C-N-CA 122.451 2.1 . . . . 0.19 115.75 -173.089 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 544' ' ' PHE . . . . . 0.54 ' HB2' ' CB ' ' A' ' 572' ' ' MET . 93.9 m-85 -112.67 -18.9 12.24 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 119.825 -0.75 . . . . 0.35 112.954 176.419 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 545' ' ' GLY . . . . . 0.573 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . -147.64 140.37 8.43 Favored Glycine 0 C--O 1.226 -0.396 0 C-N-CA 120.672 -0.775 . . . . 1.14 112.982 176.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 546' ' ' LYS . . . . . 0.48 ' O ' ' HA ' ' A' ' 563' ' ' MET . 23.9 tptm -76.64 134.7 39.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.943 0.402 . . . . 1.56 111.507 -178.666 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 547' ' ' VAL . . . . . 0.516 ' HA ' ' O ' ' A' ' 562' ' ' GLU . 96.5 t -94.55 136.49 25.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.406 -0.816 . . . . 0.25 110.579 -179.751 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 37.4 p -100.02 -40.81 7.45 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.138 -0.483 . . . . 0.37 111.496 177.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -163.15 168.86 20.2 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.022 -0.733 . . . . 1.43 109.022 -178.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 550' ' ' TYR . . . . . 0.464 ' CD2' HD11 ' A' ' 538' ' ' ILE . 51.0 p90 -141.4 152.08 44.02 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.979 0.418 . . . . 0.47 111.578 -174.744 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 551' ' ' ILE . . . . . 0.453 HD12 HD22 ' A' ' 599' ' ' LEU . 46.4 mt -122.34 121.57 64.14 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.578 0 N-CA-C 108.119 -1.067 . . . . 0.37 108.119 167.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 552' ' ' LEU . . . . . . . . . . . . . 50.7 mt -111.62 111.29 22.18 Favored 'General case' 0 C--N 1.311 -1.098 0 CA-C-N 116.282 -0.417 . . . . 0.45 110.517 -177.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 60.9 mtt -107.13 85.06 2.07 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 109.199 -0.667 . . . . 1.18 109.199 176.352 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.52 -28.73 69.39 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 108.768 -0.827 . . . . 1.45 108.768 179.167 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 62.1 p -58.21 -23.94 57.41 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 114.609 -1.178 . . . . 1.11 112.223 176.136 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 77.4 p -107.7 3.85 25.1 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-O 121.24 0.543 . . . . 0.88 109.952 179.109 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 52.2 t30 54.56 41.24 32.07 Favored 'General case' 0 N--CA 1.456 -0.156 0 CA-C-N 114.705 -1.134 . . . . 2.35 110.556 -176.191 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 558' ' ' GLN . . . . . 0.602 ' OE1' ' HA ' ' A' ' 525' ' ' CYS . 13.7 mm100 -147.09 164.88 31.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.753 -0.658 . . . . 2.07 109.782 -175.383 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -132.87 149.88 52.21 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.811 0.339 . . . . 0.27 111.78 -178.475 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 560' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 -124.42 128.69 49.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.775 -0.648 . . . . 0.33 109.289 176.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 561' ' ' LEU . . . . . 0.55 ' HB3' ' HE1' ' A' ' 563' ' ' MET . 15.2 tp -131.75 131.46 43.0 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 110.19 -0.3 . . . . 0.22 110.19 -173.376 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 562' ' ' GLU . . . . . 0.516 ' O ' ' HA ' ' A' ' 547' ' ' VAL . 33.3 tt0 -100.78 138.89 37.24 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-O 120.99 0.424 . . . . 1.85 111.095 -178.792 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 563' ' ' MET . . . . . 0.634 ' HE2' ' SD ' ' A' ' 572' ' ' MET . 0.9 OUTLIER -112.43 139.91 47.61 Favored 'General case' 0 N--CA 1.444 -0.741 0 CA-C-N 115.722 -0.672 . . . . 0.96 110.368 177.469 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -60.82 -19.15 59.19 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.129 -0.941 . . . . 0.36 111.244 -178.137 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 29.4 m-85 -133.79 137.19 44.99 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 115.363 -0.835 . . . . 1.27 109.048 -178.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 566' ' ' THR . . . . . 0.522 ' O ' ' HG3' ' A' ' 570' ' ' GLN . 8.9 t -65.65 -34.43 78.21 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.357 -0.608 . . . . 0.52 109.357 176.322 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 567' ' ' GLU . . . . . 0.544 ' CD ' ' H ' ' A' ' 567' ' ' GLU . 1.2 mp0 -62.05 -39.23 91.68 Favored 'General case' 0 CA--C 1.515 -0.382 0 CA-C-N 115.964 -0.562 . . . . 1.91 110.482 174.723 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 568' ' ' ALA . . . . . 0.569 ' HB1' ' CA ' ' A' ' 545' ' ' GLY . . . -62.48 -43.76 98.03 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.474 -0.784 . . . . 0.28 110.772 179.407 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 569' ' ' ALA . . . . . 0.419 ' O ' ' HG2' ' A' ' 572' ' ' MET . . . -67.59 -45.94 74.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.017 -0.538 . . . . 0.19 111.235 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 570' ' ' GLN . . . . . 0.522 ' HG3' ' O ' ' A' ' 566' ' ' THR . 75.7 mt-30 -64.61 -45.18 88.03 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.198 -0.456 . . . . 1.21 110.713 -179.213 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -62.01 -41.46 98.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.906 -0.588 . . . . 0.31 111.592 -175.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 572' ' ' MET . . . . . 0.634 ' SD ' ' HE2' ' A' ' 563' ' ' MET . 15.9 ptp -69.11 -44.47 72.36 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.778 -0.369 . . . . 0.62 110.479 -178.377 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 573' ' ' VAL . . . . . 0.576 HG13 ' HA ' ' A' ' 591' ' ' ARG . 69.7 t -66.95 -37.83 80.17 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.531 0 CA-C-N 116.196 -0.456 . . . . 0.21 111.397 -175.345 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 574' ' ' GLN . . . . . 0.485 ' HA ' ' OE1' ' A' ' 574' ' ' GLN . 14.4 mm-40 -59.65 -36.57 76.68 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.975 -0.38 . . . . 1.9 109.975 177.145 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 575' ' ' TYR . . . . . 0.432 ' HD2' ' CD2' ' A' ' 576' ' ' TYR . 89.4 t80 -68.62 -49.65 57.56 Favored 'General case' 0 C--O 1.218 -0.565 0 CA-C-N 115.987 -0.551 . . . . 0.52 110.806 172.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 576' ' ' TYR . . . . . 0.479 ' CB ' ' HB ' ' A' ' 590' ' ' ILE . 23.5 m-85 -73.61 -16.74 61.23 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 112.935 0.717 . . . . 0.34 112.935 -172.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -78.39 -28.04 46.87 Favored 'General case' 0 C--N 1.317 -0.842 0 O-C-N 121.806 -0.559 . . . . 1.84 110.596 175.219 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -97.73 -39.12 9.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.018 0.437 . . . . 2.07 111.156 177.269 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 30.6 mtpp -130.29 80.63 70.22 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-N 115.927 -0.579 . . . . 2.07 109.635 176.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -69.32 159.86 52.1 Favored 'Trans proline' 0 CA--C 1.529 0.252 0 C-N-CA 123.65 2.9 . . . . 0.19 113.329 -172.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 581' ' ' ALA . . . . . 0.514 ' HB1' HD22 ' A' ' 540' ' ' LEU . . . -92.69 153.62 18.84 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.802 -0.636 . . . . 0.2 110.456 -175.242 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 582' ' ' ILE . . . . . 0.478 HG12 ' HG3' ' A' ' 587' ' ' LYS . 17.5 mt -117.32 133.08 65.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 112.691 0.626 . . . . 0.54 112.691 -167.213 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 583' ' ' ILE . . . . . 0.449 HG13 HD11 ' A' ' 540' ' ' LEU . 35.2 mt -128.41 128.7 68.54 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.115 0 CA-C-N 115.846 -0.616 . . . . 0.73 109.67 169.748 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 11.1 m120 59.77 33.72 21.8 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 122.766 0.427 . . . . 1.46 111.044 178.12 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 76.5 5.66 82.92 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.779 -0.724 . . . . 0.67 112.118 -179.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -105.79 127.83 53.34 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.778 0.323 . . . . 1.93 110.176 -178.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 587' ' ' LYS . . . . . 0.478 ' HG3' HG12 ' A' ' 582' ' ' ILE . 0.1 OUTLIER -84.2 111.09 19.05 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.978 0.418 . . . . 2.12 110.121 -177.821 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 588' ' ' LEU . . . . . 0.477 HD13 HD21 ' A' ' 527' ' ' LEU . 32.8 mt -81.83 134.1 35.39 Favored 'General case' 0 CA--C 1.508 -0.644 0 CA-C-N 115.845 -0.616 . . . . 0.28 110.294 -176.575 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 54.7 tp -84.7 107.36 16.85 Favored 'General case' 0 C--N 1.312 -1.036 0 N-CA-C 108.558 -0.905 . . . . 0.38 108.558 171.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 590' ' ' ILE . . . . . 0.479 ' HB ' ' CB ' ' A' ' 576' ' ' TYR . 59.7 mt -96.9 115.11 35.57 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 N-CA-C 108.15 -1.055 . . . . 0.17 108.15 177.609 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 591' ' ' ARG . . . . . 0.576 ' HA ' HG13 ' A' ' 573' ' ' VAL . 3.8 ptp180 -135.09 161.4 35.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.202 0.525 . . . . 3.0 112.021 -172.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 592' ' ' MET . . . . . 0.536 ' HG2' HG11 ' A' ' 573' ' ' VAL . 0.1 OUTLIER -66.47 133.79 51.13 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.417 -0.811 . . . . 0.33 109.916 179.035 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 32.7 t -83.78 132.29 34.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.817 0.341 . . . . 1.04 111.091 -177.044 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 11.1 t -98.96 -7.79 26.46 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.158 -0.473 . . . . 1.6 110.046 173.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 88.1 mtt180 -82.46 -39.25 22.81 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.208 -0.451 . . . . 2.94 110.438 -179.467 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -131.55 134.46 46.11 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.199 -0.455 . . . . 0.93 110.545 -179.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 5.3 tppp? -86.81 -36.77 18.34 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.741 -0.837 . . . . 3.4 108.741 171.397 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -140.17 153.41 46.62 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 114.809 -1.087 . . . . 2.02 109.261 178.543 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 599' ' ' LEU . . . . . 0.462 HD12 ' HB2' ' A' ' 562' ' ' GLU . 90.3 mt . . . . . 0 C--N 1.324 -0.511 0 CA-C-O 121.547 0.689 . . . . 1.02 109.969 178.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 521' ' ' VAL . . . . . 0.464 HG22 ' HG ' ' A' ' 599' ' ' LEU . 71.0 t . . . . . 0 N--CA 1.446 -0.645 0 CA-C-O 121.098 0.475 . . . . 0.44 109.799 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 522' ' ' VAL . . . . . 0.412 HG21 ' HE3' ' A' ' 563' ' ' MET . 57.4 t -102.04 134.7 41.88 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.026 0 CA-C-N 115.933 -0.576 . . . . 0.25 109.716 177.049 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 10.7 t-160 -105.42 118.88 37.7 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.658 -0.497 . . . . 1.75 109.658 -176.109 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 524' ' ' ILE . . . . . . . . . . . . . 68.3 mt -102.62 127.72 56.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 115.864 -0.607 . . . . 0.28 109.792 -178.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 8.3 m -114.77 169.85 8.76 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.634 -0.712 . . . . 1.28 111.354 -171.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 66.84 33.37 6.09 Favored 'General case' 0 N--CA 1.464 0.249 0 O-C-N 123.878 0.737 . . . . 1.22 111.456 174.239 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 527' ' ' LEU . . . . . 0.47 HD21 HD13 ' A' ' 588' ' ' LEU . 79.9 mt -86.29 121.28 72.57 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 116.191 -0.458 . . . . 0.6 111.572 -176.608 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 528' ' ' PRO . . . . . 0.457 ' HD2' ' SG ' ' A' ' 532' ' ' CYS . 37.3 Cg_endo -69.27 132.1 23.37 Favored 'Trans proline' 0 C--O 1.237 0.464 0 C-N-CA 122.601 2.201 . . . . 0.62 111.877 174.43 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -67.49 125.59 26.64 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.097 -0.501 . . . . 2.98 111.5 -178.007 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 80.59 -17.77 10.08 Favored Glycine 0 N--CA 1.451 -0.308 0 CA-C-N 115.997 -0.547 . . . . 0.94 113.482 175.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 531' ' ' SER . . . . . 0.406 ' HB2' ' HG2' ' A' ' 528' ' ' PRO . 11.4 m -84.86 -36.84 21.3 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 117.091 0.446 . . . . 1.17 110.67 -177.587 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 532' ' ' CYS . . . . . 0.457 ' SG ' ' HD2' ' A' ' 528' ' ' PRO . 76.2 m -87.11 139.18 30.83 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.41 -0.359 . . . . 0.77 110.147 176.04 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 65.1 p -106.0 166.86 10.19 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.806 -0.442 . . . . 0.54 109.806 175.705 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 534' ' ' GLU . . . . . 0.516 ' HG2' ' CD1' ' A' ' 552' ' ' LEU . 42.9 mt-10 -54.81 -45.45 74.38 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.411 0.624 . . . . 1.32 109.954 179.551 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 13.8 t30 -59.61 -38.46 81.34 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 114.791 -1.095 . . . . 1.95 111.712 -177.508 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 536' ' ' ASP . . . . . 0.535 ' O ' ' HG ' ' A' ' 540' ' ' LEU . 56.4 m-20 -64.39 -48.6 74.81 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 120.982 0.42 . . . . 0.52 110.723 -179.356 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 59.2 t -63.53 -44.02 98.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.414 -0.812 . . . . 0.25 110.9 -174.321 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 87.7 mt -65.28 -45.83 92.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.793 -0.64 . . . . 0.24 110.97 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 539' ' ' ASN . . . . . 0.689 ' O ' ' HD3' ' A' ' 543' ' ' PRO . 89.5 m-20 -66.22 -27.67 68.15 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.978 -0.556 . . . . 1.07 112.201 -175.487 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 540' ' ' LEU . . . . . 0.535 ' HG ' ' O ' ' A' ' 536' ' ' ASP . 29.6 mt -65.21 -36.26 83.61 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.341 0.497 . . . . 0.36 112.341 -179.291 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -79.56 -32.42 37.79 Favored Glycine 0 CA--C 1.516 0.128 0 C-N-CA 120.273 -0.965 . . . . 0.22 112.261 -179.314 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 542' ' ' LEU . . . . . 0.427 HD12 ' HA ' ' A' ' 539' ' ' ASN . 75.5 mt -52.81 -37.99 53.58 Favored Pre-proline 0 CA--C 1.554 1.097 0 N-CA-C 115.704 1.742 . . . . 0.25 115.704 -175.742 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 543' ' ' PRO . . . . . 0.689 ' HD3' ' O ' ' A' ' 539' ' ' ASN . 71.3 Cg_exo -50.66 -33.51 39.98 Favored 'Trans proline' 0 C--N 1.354 0.862 0 C-N-CA 121.592 1.528 . . . . 0.19 115.351 -175.564 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 544' ' ' PHE . . . . . 0.575 ' HB2' ' CB ' ' A' ' 572' ' ' MET . 82.5 m-85 -111.56 -19.97 12.34 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 113.055 0.761 . . . . 0.35 113.055 176.679 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 545' ' ' GLY . . . . . 0.623 ' CA ' ' HB1' ' A' ' 568' ' ' ALA . . . -135.31 -161.77 9.46 Favored Glycine 0 C--O 1.223 -0.542 0 C-N-CA 120.421 -0.895 . . . . 1.14 114.005 179.785 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 546' ' ' LYS . . . . . 0.572 ' O ' ' HA ' ' A' ' 563' ' ' MET . 16.7 tppt? -132.55 135.54 46.01 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 122.474 -0.427 . . . . 1.56 110.967 -178.669 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 547' ' ' VAL . . . . . 0.578 ' HA ' ' O ' ' A' ' 562' ' ' GLU . 95.2 t -100.14 133.63 42.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.907 -0.588 . . . . 0.25 110.923 -178.655 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 72.5 p -108.28 -32.3 7.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.104 0.478 . . . . 0.37 110.784 176.178 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 33.1 m-80 -149.06 166.62 28.19 Favored 'General case' 0 CA--C 1.515 -0.372 0 CA-C-N 115.702 -0.681 . . . . 1.43 109.525 -174.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 37.9 p90 -155.44 149.14 25.27 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.856 0.36 . . . . 0.47 110.472 175.587 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 551' ' ' ILE . . . . . 0.523 HD12 HD22 ' A' ' 599' ' ' LEU . 24.2 mt -131.28 123.78 53.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 108.955 -0.757 . . . . 0.37 108.955 175.677 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 552' ' ' LEU . . . . . 0.516 ' CD1' ' HG2' ' A' ' 534' ' ' GLU . 85.1 mt -111.35 114.1 27.02 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.143 -0.48 . . . . 0.45 111.734 -172.51 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 25.4 mmt -108.08 86.13 2.24 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.874 -0.787 . . . . 1.18 108.874 172.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.94 -34.97 77.61 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.132 -0.485 . . . . 1.45 110.675 -174.71 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 62.6 p -64.79 -28.1 69.34 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.936 -0.575 . . . . 1.11 112.049 -177.235 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 556' ' ' THR . . . . . 0.478 ' O ' ' HG2' ' A' ' 558' ' ' GLN . 75.6 p -98.84 4.13 47.49 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.06 0.457 . . . . 0.88 110.525 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 14.5 m120 56.91 40.44 28.85 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.092 -0.958 . . . . 2.35 110.885 -179.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 558' ' ' GLN . . . . . 0.478 ' HG2' ' O ' ' A' ' 556' ' ' THR . 15.0 mm100 -143.48 148.77 36.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 2.07 110.466 -175.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -133.99 152.67 51.94 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.904 0.383 . . . . 0.27 111.066 178.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 560' ' ' PHE . . . . . . . . . . . . . 55.6 m-85 -119.12 126.34 51.39 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.86 -0.793 . . . . 0.33 108.86 177.05 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 561' ' ' LEU . . . . . 0.406 HD12 ' HA ' ' A' ' 561' ' ' LEU . 14.7 tp -121.79 129.06 52.38 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 109.761 -0.459 . . . . 0.22 109.761 -176.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 562' ' ' GLU . . . . . 0.578 ' O ' ' HA ' ' A' ' 547' ' ' VAL . 10.0 tp10 -99.64 138.51 36.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.498 -0.319 . . . . 1.85 111.044 -173.03 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 563' ' ' MET . . . . . 0.572 ' HA ' ' O ' ' A' ' 546' ' ' LYS . 21.2 mmt -116.06 135.19 54.18 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.656 0.741 . . . . 0.96 111.688 -172.665 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -65.95 -33.8 76.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 114.826 -1.079 . . . . 0.36 111.245 -178.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 565' ' ' TYR . . . . . 0.446 ' HB2' ' CB ' ' A' ' 568' ' ' ALA . 17.5 m-85 -124.4 134.67 53.04 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.721 -0.844 . . . . 1.27 108.721 -175.3 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 9.7 t -68.07 -35.4 78.14 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.346 -0.388 . . . . 0.52 110.808 -177.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -67.13 -35.48 79.83 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-O 121.022 0.439 . . . . 1.91 110.56 175.113 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 568' ' ' ALA . . . . . 0.623 ' HB1' ' CA ' ' A' ' 545' ' ' GLY . . . -62.61 -43.96 97.51 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.646 -0.707 . . . . 0.28 110.504 178.112 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -63.47 -45.73 89.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.708 -0.678 . . . . 0.19 111.195 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 570' ' ' GLN . . . . . 0.596 ' O ' ' HG2' ' A' ' 574' ' ' GLN . 45.9 mt-30 -67.57 -46.21 73.33 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.943 -0.571 . . . . 1.21 111.379 -178.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -61.89 -42.13 98.7 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.201 -0.454 . . . . 0.31 111.535 -175.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 572' ' ' MET . . . . . 0.575 ' CB ' ' HB2' ' A' ' 544' ' ' PHE . 17.2 ptp -66.29 -44.97 82.03 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.036 0.446 . . . . 0.62 110.222 -179.342 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 573' ' ' VAL . . . . . 0.803 HG13 ' HA ' ' A' ' 591' ' ' ARG . 57.7 t -67.29 -36.86 77.86 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.691 0 CA-C-N 115.711 -0.677 . . . . 0.21 111.958 -175.412 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 574' ' ' GLN . . . . . 0.596 ' HG2' ' O ' ' A' ' 570' ' ' GLN . 29.4 mm-40 -59.05 -37.35 76.8 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.538 -0.541 . . . . 1.9 109.538 178.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 89.1 t80 -69.14 -49.68 54.73 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-N 115.769 -0.65 . . . . 0.52 111.149 172.248 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 576' ' ' TYR . . . . . 0.471 ' CB ' ' HB ' ' A' ' 590' ' ' ILE . 22.9 m-85 -72.24 -23.08 61.17 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 113.502 0.927 . . . . 0.34 113.502 -171.375 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -70.04 -30.9 68.29 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 120.132 -0.627 . . . . 1.84 110.562 175.672 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 50.9 mm-40 -97.52 -38.96 9.37 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.14 0.495 . . . . 2.07 111.312 179.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -126.32 81.94 66.62 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 115.741 -0.663 . . . . 2.07 109.958 175.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_exo -72.32 159.92 48.28 Favored 'Trans proline' 0 C--O 1.234 0.293 0 C-N-CA 123.522 2.815 . . . . 0.19 112.429 -176.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -93.23 144.67 25.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.28 -0.418 . . . . 0.2 110.752 -174.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 65.8 mt -108.89 131.31 59.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 116.333 -0.394 . . . . 0.54 111.794 -173.384 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 583' ' ' ILE . . . . . 0.494 HD12 HD11 ' A' ' 588' ' ' LEU . 37.9 mt -122.51 116.66 49.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.124 -0.489 . . . . 0.73 110.499 172.269 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 55.33 43.99 28.07 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.848 -0.614 . . . . 1.46 111.724 175.214 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 86.1 -4.54 85.85 Favored Glycine 0 N--CA 1.45 -0.376 0 CA-C-N 115.917 -0.583 . . . . 0.67 113.47 176.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -102.68 126.26 49.71 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 117.147 0.473 . . . . 1.93 110.256 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -84.69 107.37 16.85 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.52 -0.548 . . . . 2.12 109.52 178.091 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 588' ' ' LEU . . . . . 0.494 HD11 HD12 ' A' ' 583' ' ' ILE . 39.9 mt -84.8 124.36 31.48 Favored 'General case' 0 CA--C 1.506 -0.74 0 CA-C-N 116.467 -0.333 . . . . 0.28 110.38 -178.12 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 33.1 tp -83.28 108.56 16.58 Favored 'General case' 0 C--N 1.313 -0.998 0 N-CA-C 108.584 -0.895 . . . . 0.38 108.584 173.269 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 590' ' ' ILE . . . . . 0.471 ' HB ' ' CB ' ' A' ' 576' ' ' TYR . 41.7 mt -96.48 115.47 35.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 108.273 -1.01 . . . . 0.17 108.273 177.655 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 591' ' ' ARG . . . . . 0.803 ' HA ' HG13 ' A' ' 573' ' ' VAL . 33.3 ptt180 -145.34 164.76 30.48 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 113.285 0.846 . . . . 3.0 113.285 -174.357 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 592' ' ' MET . . . . . 0.664 ' HG2' HG11 ' A' ' 573' ' ' VAL . 0.6 OUTLIER -68.19 129.35 39.67 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.009 -0.996 . . . . 0.33 111.303 -175.301 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 33.0 t -86.92 129.7 34.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.006 0.432 . . . . 1.04 110.539 176.25 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 8.1 m -98.52 -6.86 29.38 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.696 0.76 . . . . 1.6 109.769 175.364 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 79.4 mtp180 -88.28 -41.33 12.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.641 -0.709 . . . . 2.94 111.118 -177.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -106.69 134.06 50.41 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.844 0.354 . . . . 0.93 110.587 -179.508 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -90.97 -41.83 10.9 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.812 -0.631 . . . . 3.4 110.373 176.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 598' ' ' GLU . . . . . 0.476 ' HA ' ' OE2' ' A' ' 562' ' ' GLU . 11.1 pt-20 -154.05 146.55 24.05 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.476 -0.784 . . . . 2.02 109.843 -178.575 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 599' ' ' LEU . . . . . 0.523 HD22 HD12 ' A' ' 551' ' ' ILE . 76.1 mt . . . . . 0 C--N 1.323 -0.583 0 CA-C-O 121.238 0.542 . . . . 1.02 111.462 179.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 58.7 t . . . . . 0 N--CA 1.463 0.22 0 CA-C-O 120.466 0.174 . . . . 0.44 111.007 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 522' ' ' VAL . . . . . 0.51 HG22 ' HE3' ' A' ' 592' ' ' MET . 40.3 t -100.45 134.31 40.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 N-CA-C 109.889 -0.412 . . . . 0.25 109.889 178.144 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 523' ' ' HIS . . . . . 0.426 ' HB3' ' OG ' ' A' ' 593' ' ' SER . 14.4 p-80 -115.05 140.16 49.28 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.183 0.516 . . . . 1.75 110.116 177.283 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 524' ' ' ILE . . . . . 0.671 HD12 HG13 ' A' ' 537' ' ' VAL . 67.1 mt -106.12 128.89 60.14 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.054 0 CA-C-N 115.595 -0.73 . . . . 0.28 110.099 179.248 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 525' ' ' CYS . . . . . 0.435 ' O ' ' HB2' ' A' ' 526' ' ' ASN . 12.6 p -124.29 174.98 7.36 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.825 -0.625 . . . . 1.28 110.144 -177.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 526' ' ' ASN . . . . . 0.496 HD22 ' N ' ' A' ' 526' ' ' ASN . 0.8 OUTLIER 69.33 26.19 5.38 Favored 'General case' 0 N--CA 1.469 0.506 0 O-C-N 123.699 0.624 . . . . 1.22 109.896 -175.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 527' ' ' LEU . . . . . 0.479 ' HB3' ' SG ' ' A' ' 532' ' ' CYS . 82.4 mt -79.14 130.31 69.86 Favored Pre-proline 0 C--N 1.324 -0.541 0 CA-C-N 115.319 -0.855 . . . . 0.6 110.788 -177.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 528' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -68.15 133.13 27.84 Favored 'Trans proline' 0 C--O 1.235 0.359 0 C-N-CA 122.391 2.06 . . . . 0.62 111.385 174.237 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -66.84 124.38 22.79 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.279 -0.419 . . . . 2.98 111.116 -175.225 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 80.56 -18.05 9.48 Favored Glycine 0 N--CA 1.452 -0.289 0 CA-C-N 116.091 -0.504 . . . . 0.94 113.514 175.106 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 14.6 m -88.2 -15.68 35.33 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.032 0.444 . . . . 1.17 111.142 -177.033 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 532' ' ' CYS . . . . . 0.479 ' SG ' ' HB3' ' A' ' 527' ' ' LEU . 56.8 m -85.21 135.34 33.99 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.278 -0.419 . . . . 0.77 110.732 -179.635 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 30.0 p -108.32 169.56 8.56 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.591 -0.522 . . . . 0.54 109.591 177.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 534' ' ' GLU . . . . . 0.4 ' HA ' HD11 ' A' ' 552' ' ' LEU . 14.5 mt-10 -63.11 -46.89 85.19 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.35 0.595 . . . . 1.32 109.684 175.075 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -66.36 -44.2 83.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 114.984 -1.007 . . . . 1.95 111.852 -171.13 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 536' ' ' ASP . . . . . 0.552 ' O ' ' HG ' ' A' ' 540' ' ' LEU . 16.5 m-20 -63.95 -45.39 89.37 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 120.724 0.297 . . . . 0.52 111.357 -176.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 537' ' ' VAL . . . . . 0.671 HG13 HD12 ' A' ' 524' ' ' ILE . 98.0 t -61.96 -42.68 95.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.007 -0.542 . . . . 0.25 110.359 -177.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 538' ' ' ILE . . . . . 0.401 ' O ' ' HG ' ' A' ' 542' ' ' LEU . 82.9 mt -67.17 -42.31 87.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.494 . . . . 0.24 110.765 177.272 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 539' ' ' ASN . . . . . 0.497 ' HA ' HD12 ' A' ' 542' ' ' LEU . 81.2 m-20 -61.47 -30.06 70.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.992 -0.549 . . . . 1.07 112.233 -177.26 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 540' ' ' LEU . . . . . 0.552 ' HG ' ' O ' ' A' ' 536' ' ' ASP . 46.1 mt -69.36 -37.05 77.43 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.068 0.395 . . . . 0.36 112.068 -176.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -75.47 -36.71 43.22 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.258 -0.972 . . . . 0.22 112.233 -178.224 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 542' ' ' LEU . . . . . 0.546 ' HA ' ' O ' ' A' ' 545' ' ' GLY . 91.3 mt -48.4 -46.76 69.18 Favored Pre-proline 0 CA--C 1.542 0.67 0 N-CA-C 114.522 1.305 . . . . 0.25 114.522 -172.563 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 543' ' ' PRO . . . . . 0.462 ' HD3' ' O ' ' A' ' 539' ' ' ASN . 41.6 Cg_exo -46.7 -34.01 14.69 Favored 'Trans proline' 0 C--N 1.358 1.071 0 C-N-CA 122.484 2.122 . . . . 0.19 115.833 -173.459 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 544' ' ' PHE . . . . . 0.538 ' HB2' ' CB ' ' A' ' 572' ' ' MET . 79.3 m-85 -111.55 -19.1 12.65 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.041 -0.663 . . . . 0.35 112.687 176.552 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 545' ' ' GLY . . . . . 0.546 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . -149.76 132.86 4.17 Favored Glycine 0 CA--C 1.522 0.505 0 C-N-CA 120.911 -0.662 . . . . 1.14 113.088 177.538 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 546' ' ' LYS . . . . . 0.517 ' O ' ' HA ' ' A' ' 563' ' ' MET . 23.7 tptm -71.04 144.23 50.47 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.677 0.275 . . . . 1.56 111.103 178.574 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 547' ' ' VAL . . . . . 0.536 ' HA ' ' O ' ' A' ' 562' ' ' GLU . 92.8 t -95.0 127.94 46.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.821 -0.627 . . . . 0.25 111.377 178.631 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 28.9 p -94.54 -39.58 10.31 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.387 -0.37 . . . . 0.37 111.782 176.049 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 549' ' ' ASN . . . . . 0.439 ' O ' ' HB3' ' A' ' 562' ' ' GLU . 55.5 m-80 -149.56 165.69 31.46 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.75 -0.833 . . . . 1.43 108.75 -179.797 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 12.2 p90 -148.78 149.79 31.97 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 120.626 -0.429 . . . . 0.47 110.588 -179.643 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 29.0 mt -131.29 121.26 48.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 N-CA-C 108.975 -0.75 . . . . 0.37 108.975 173.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 552' ' ' LEU . . . . . 0.4 HD11 ' HA ' ' A' ' 534' ' ' GLU . 50.1 mt -112.43 115.12 28.18 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 115.533 -0.758 . . . . 0.45 111.111 -177.698 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 62.4 mtt -107.48 83.69 1.85 Allowed 'General case' 0 N--CA 1.445 -0.684 0 N-CA-C 108.628 -0.879 . . . . 1.18 108.628 173.212 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -69.75 -29.46 66.83 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.046 -0.979 . . . . 1.45 110.464 -176.227 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 62.5 p -66.34 -22.94 66.28 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.58 -0.736 . . . . 1.11 111.613 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 68.9 p -105.28 3.82 30.37 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-O 121.282 0.563 . . . . 0.88 110.167 177.291 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 64.9 t30 56.39 41.55 28.8 Favored 'General case' 0 CA--C 1.521 -0.153 0 CA-C-N 114.674 -1.148 . . . . 2.35 110.893 -178.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -137.86 149.38 46.24 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.047 -0.524 . . . . 2.07 109.869 -177.438 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -130.2 142.92 50.53 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.38 -0.373 . . . . 0.27 111.259 -176.398 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 560' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -126.59 126.13 43.11 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.761 -0.654 . . . . 0.33 109.412 177.539 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 15.4 tp -126.54 129.09 47.93 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 116.011 -0.54 . . . . 0.22 110.082 -174.227 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 562' ' ' GLU . . . . . 0.536 ' O ' ' HA ' ' A' ' 547' ' ' VAL . 37.5 tt0 -103.15 137.92 40.66 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.342 -0.39 . . . . 1.85 111.302 -176.082 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 563' ' ' MET . . . . . 0.517 ' HA ' ' O ' ' A' ' 546' ' ' LYS . 13.3 mmt -107.8 159.55 16.42 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.838 -0.619 . . . . 0.96 110.442 -177.106 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -75.72 -22.53 56.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.699 -0.682 . . . . 0.36 112.251 -175.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -137.65 150.65 47.54 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.872 0.368 . . . . 1.27 110.795 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 9.0 t -61.69 -38.06 86.43 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.77 -0.65 . . . . 0.52 110.313 176.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -67.23 -35.34 79.35 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 116.174 -0.466 . . . . 1.91 110.778 175.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 568' ' ' ALA . . . . . 0.48 ' HB1' ' CA ' ' A' ' 545' ' ' GLY . . . -62.48 -42.56 99.57 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.094 0.473 . . . . 0.28 110.311 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 569' ' ' ALA . . . . . 0.489 ' HB1' ' HE1' ' A' ' 592' ' ' MET . . . -68.44 -46.99 68.38 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.694 -0.685 . . . . 0.19 111.514 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 570' ' ' GLN . . . . . 0.458 ' O ' ' HG3' ' A' ' 574' ' ' GLN . 48.2 mt-30 -68.86 -46.14 69.23 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.29 -0.413 . . . . 1.21 111.923 -177.649 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -62.11 -38.01 87.29 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.675 0.274 . . . . 0.31 111.392 -175.425 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 572' ' ' MET . . . . . 0.538 ' CB ' ' HB2' ' A' ' 544' ' ' PHE . 14.0 ptp -69.11 -45.6 69.77 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 120.655 -0.418 . . . . 0.62 110.365 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 573' ' ' VAL . . . . . 0.564 HG11 ' HG2' ' A' ' 592' ' ' MET . 91.9 t -67.32 -36.88 77.89 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.566 0 CA-C-N 116.192 -0.458 . . . . 0.21 111.259 -176.358 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 574' ' ' GLN . . . . . 0.458 ' HG3' ' O ' ' A' ' 570' ' ' GLN . 52.0 mt-30 -58.96 -37.17 76.17 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.541 -0.54 . . . . 1.9 109.541 175.784 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 54.2 t80 -69.56 -49.66 52.13 Favored 'General case' 0 C--O 1.219 -0.534 0 CA-C-N 115.856 -0.611 . . . . 0.52 110.68 174.012 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 576' ' ' TYR . . . . . 0.436 ' CE1' ' HB2' ' A' ' 572' ' ' MET . 21.7 m-85 -74.84 -17.22 60.64 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.925 0.713 . . . . 0.34 112.925 -172.624 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -74.38 -30.69 62.07 Favored 'General case' 0 C--N 1.319 -0.722 0 O-C-N 122.091 -0.381 . . . . 1.84 110.557 174.122 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -97.54 -40.19 8.77 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.02 0.438 . . . . 2.07 110.97 178.212 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 49.9 mtpt -127.9 79.45 73.69 Favored Pre-proline 0 C--N 1.327 -0.4 0 CA-C-N 115.695 -0.684 . . . . 2.07 109.917 179.037 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_exo -71.67 160.41 48.23 Favored 'Trans proline' 0 C--O 1.235 0.373 0 C-N-CA 123.372 2.714 . . . . 0.19 112.803 -174.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -92.47 150.61 20.67 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.135 -0.484 . . . . 0.2 110.354 -175.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 582' ' ' ILE . . . . . 0.432 ' HA ' ' O ' ' A' ' 586' ' ' GLU . 65.3 mt -117.2 127.87 74.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 N-CA-C 112.112 0.412 . . . . 0.54 112.112 -171.196 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 583' ' ' ILE . . . . . 0.416 HD12 HD11 ' A' ' 588' ' ' LEU . 52.4 mt -122.18 120.6 61.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.001 -0.545 . . . . 0.73 110.447 172.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 59.27 40.38 21.43 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.862 -0.608 . . . . 1.46 111.307 177.327 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 80.43 0.92 88.03 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.982 -0.628 . . . . 0.67 112.818 178.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 586' ' ' GLU . . . . . 0.432 ' O ' ' HA ' ' A' ' 582' ' ' ILE . 17.1 mm-40 -101.14 126.37 47.84 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 110.183 -0.302 . . . . 1.93 110.183 -178.732 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 587' ' ' LYS . . . . . 0.416 ' HG2' HG12 ' A' ' 582' ' ' ILE . 36.3 mtmm -83.21 107.36 15.7 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.704 -0.48 . . . . 2.12 109.704 177.269 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 588' ' ' LEU . . . . . 0.52 HD12 ' CD1' ' A' ' 540' ' ' LEU . 32.3 mt -86.29 121.74 29.29 Favored 'General case' 0 CA--C 1.502 -0.869 0 CA-C-N 115.792 -0.64 . . . . 0.28 110.183 -177.631 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 589' ' ' LEU . . . . . 0.442 ' HG ' ' HG3' ' A' ' 591' ' ' ARG . 18.6 tp -83.61 109.0 17.07 Favored 'General case' 0 N--CA 1.434 -1.244 0 N-CA-C 108.415 -0.957 . . . . 0.38 108.415 175.248 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 590' ' ' ILE . . . . . 0.42 ' O ' HG13 ' A' ' 573' ' ' VAL . 49.5 mt -95.12 117.1 38.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 108.69 -0.856 . . . . 0.17 108.69 -179.397 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 591' ' ' ARG . . . . . 0.477 ' HA ' HG13 ' A' ' 573' ' ' VAL . 66.1 mtm180 -132.33 162.29 31.43 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 113.528 0.936 . . . . 3.0 113.528 -170.151 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 592' ' ' MET . . . . . 0.564 ' HG2' HG11 ' A' ' 573' ' ' VAL . 0.1 OUTLIER -76.15 129.61 37.03 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 114.783 -1.099 . . . . 0.33 110.792 -177.775 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 593' ' ' SER . . . . . 0.426 ' OG ' ' HB3' ' A' ' 523' ' ' HIS . 16.7 m -87.68 126.45 34.98 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.664 0.269 . . . . 1.04 110.777 175.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 14.8 t -98.3 -7.23 29.4 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.576 0.703 . . . . 1.6 109.561 176.475 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 60.8 mtp180 -91.63 -11.11 38.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.425 -0.807 . . . . 2.94 111.363 -179.124 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 58.1 m-85 -131.96 132.67 43.71 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.8 0.333 . . . . 0.93 110.697 -178.01 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -92.48 -41.5 10.25 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.569 0.699 . . . . 3.4 110.261 170.374 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -156.21 149.62 24.62 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.931 -0.577 . . . . 2.02 110.757 -178.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 599' ' ' LEU . . . . . . . . . . . . . 94.5 mt . . . . . 0 C--N 1.319 -0.737 0 CA-C-N 115.556 -0.747 . . . . 1.02 110.592 -177.147 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 60.7 t . . . . . 0 CA--C 1.518 -0.284 0 N-CA-C 109.927 -0.398 . . . . 0.44 109.927 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 522' ' ' VAL . . . . . . . . . . . . . 89.3 t -99.11 130.92 47.32 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.877 0 CA-C-O 121.227 0.537 . . . . 0.25 110.312 179.228 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -106.04 123.27 47.73 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.476 -0.783 . . . . 1.75 109.747 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 524' ' ' ILE . . . . . 0.536 HD12 HG13 ' A' ' 537' ' ' VAL . 77.5 mt -103.76 132.1 50.93 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.891 0 CA-C-N 115.426 -0.807 . . . . 0.28 109.325 179.695 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 525' ' ' CYS . . . . . 0.459 ' SG ' ' HB3' ' A' ' 589' ' ' LEU . 2.1 p -126.75 172.27 10.48 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.154 -0.476 . . . . 1.28 111.276 -174.352 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 68.59 25.96 6.48 Favored 'General case' 0 N--CA 1.468 0.436 0 O-C-N 124.116 0.885 . . . . 1.22 110.59 -176.622 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 527' ' ' LEU . . . . . 0.44 HD21 HD13 ' A' ' 588' ' ' LEU . 85.0 mt -81.6 121.99 80.23 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 115.863 -0.608 . . . . 0.6 110.56 -178.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 528' ' ' PRO . . . . . 0.446 ' HD2' ' SG ' ' A' ' 532' ' ' CYS . 32.2 Cg_endo -67.28 130.55 22.82 Favored 'Trans proline' 0 N--CA 1.46 -0.466 0 C-N-CA 121.706 1.604 . . . . 0.62 111.313 176.188 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -68.51 125.72 27.39 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.063 -0.517 . . . . 2.98 111.607 -176.514 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 85.29 -16.41 39.25 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 121.044 -0.598 . . . . 0.94 112.699 176.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 531' ' ' SER . . . . . 0.405 ' HB2' ' HG2' ' A' ' 528' ' ' PRO . 18.1 m -91.83 -25.86 18.79 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.965 0.412 . . . . 1.17 110.659 -179.408 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 532' ' ' CYS . . . . . 0.446 ' SG ' ' HD2' ' A' ' 528' ' ' PRO . 38.0 m -85.94 138.91 31.66 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.141 -0.481 . . . . 0.77 110.507 179.055 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 44.1 p -110.68 169.84 8.49 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.75 -0.463 . . . . 0.54 109.75 175.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 534' ' ' GLU . . . . . 0.4 ' HG2' ' CD1' ' A' ' 552' ' ' LEU . 31.8 mt-10 -61.33 -42.66 99.05 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.315 -0.624 . . . . 1.32 109.315 175.286 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -61.9 -43.88 97.93 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.162 -0.926 . . . . 1.95 111.747 -175.539 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 536' ' ' ASP . . . . . 0.611 ' O ' ' HG ' ' A' ' 540' ' ' LEU . 13.7 m-20 -64.05 -48.05 77.78 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.817 0.341 . . . . 0.52 111.071 -176.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 537' ' ' VAL . . . . . 0.536 HG13 HD12 ' A' ' 524' ' ' ILE . 96.1 t -63.7 -45.0 98.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.939 -0.573 . . . . 0.25 111.302 -175.684 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 538' ' ' ILE . . . . . 0.473 ' O ' ' HG ' ' A' ' 542' ' ' LEU . 90.4 mt -67.12 -45.78 85.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.394 -0.366 . . . . 0.24 111.014 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 539' ' ' ASN . . . . . 0.562 ' O ' ' HD3' ' A' ' 543' ' ' PRO . 23.7 m-80 -66.25 -26.65 67.46 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.394 0.516 . . . . 1.07 112.394 -178.042 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 540' ' ' LEU . . . . . 0.611 ' HG ' ' O ' ' A' ' 536' ' ' ASP . 35.2 mt -68.01 -35.2 77.9 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.75 -0.38 . . . . 0.36 111.665 177.159 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -79.02 -37.78 24.52 Favored Glycine 0 N--CA 1.453 -0.18 0 C-N-CA 120.394 -0.907 . . . . 0.22 112.329 -178.687 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 542' ' ' LEU . . . . . 0.577 ' HA ' ' O ' ' A' ' 545' ' ' GLY . 96.9 mt -47.78 -45.08 60.0 Favored Pre-proline 0 CA--C 1.545 0.78 0 N-CA-C 115.112 1.523 . . . . 0.25 115.112 -175.139 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 543' ' ' PRO . . . . . 0.562 ' HD3' ' O ' ' A' ' 539' ' ' ASN . 30.6 Cg_exo -47.01 -35.07 17.98 Favored 'Trans proline' 0 C--N 1.361 1.206 0 C-N-CA 122.656 2.237 . . . . 0.19 115.67 -172.747 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 544' ' ' PHE . . . . . 0.452 ' HB2' ' CB ' ' A' ' 572' ' ' MET . 88.8 m-85 -111.79 -18.03 12.82 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 119.927 -0.709 . . . . 0.35 112.684 177.211 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 545' ' ' GLY . . . . . 0.577 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . -150.05 138.09 6.55 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.692 -0.766 . . . . 1.14 112.955 178.555 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 58.4 tptt -76.01 138.51 40.95 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.88 0.371 . . . . 1.56 111.37 -179.029 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 547' ' ' VAL . . . . . 0.484 ' HA ' ' O ' ' A' ' 562' ' ' GLU . 95.6 t -93.54 136.53 24.99 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.572 0 CA-C-N 115.35 -0.841 . . . . 0.25 110.812 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 39.9 p -104.31 -40.13 6.22 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.257 0.551 . . . . 0.37 111.597 179.625 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 68.1 m-80 -149.08 166.72 27.89 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.515 -0.92 . . . . 1.43 108.515 -178.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 41.4 p90 -146.64 149.84 34.28 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.535 -0.466 . . . . 0.47 111.04 177.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 551' ' ' ILE . . . . . 0.419 HD12 HD22 ' A' ' 599' ' ' LEU . 24.8 mt -130.85 123.31 54.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 109.003 -0.74 . . . . 0.37 109.003 173.307 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 552' ' ' LEU . . . . . 0.4 ' CD1' ' HG2' ' A' ' 534' ' ' GLU . 70.8 mt -111.27 114.41 27.58 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 115.905 -0.588 . . . . 0.45 110.708 -176.178 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 60.0 mtt -107.46 85.13 2.07 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.402 -0.592 . . . . 1.18 109.402 176.108 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.15 -30.42 69.55 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.538 -0.542 . . . . 1.45 109.538 -179.468 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 64.5 p -66.45 -31.27 71.91 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.301 -0.863 . . . . 1.11 111.965 -178.188 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 76.7 p -105.04 10.79 33.92 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-O 121.197 0.522 . . . . 0.88 110.23 -178.197 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 4.9 t30 57.34 42.44 24.96 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 114.81 -1.087 . . . . 2.35 110.843 177.218 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -147.13 152.99 39.38 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.067 0.46 . . . . 2.07 111.188 -175.466 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -130.57 146.19 52.04 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.378 -0.374 . . . . 0.27 110.349 175.689 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 560' ' ' PHE . . . . . 0.451 ' HB3' HD21 ' A' ' 599' ' ' LEU . 71.7 m-85 -124.8 128.85 49.36 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.959 -0.564 . . . . 0.33 109.569 179.613 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 561' ' ' LEU . . . . . 0.562 ' HB3' ' HE1' ' A' ' 563' ' ' MET . 15.1 tp -124.49 137.01 54.46 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.199 -0.455 . . . . 0.22 110.2 -172.604 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 562' ' ' GLU . . . . . 0.585 ' HB2' HD12 ' A' ' 599' ' ' LEU . 28.3 tt0 -107.13 139.33 41.74 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 122.421 0.289 . . . . 1.85 110.434 -175.55 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 563' ' ' MET . . . . . 0.583 ' HE2' ' SD ' ' A' ' 572' ' ' MET . 0.6 OUTLIER -114.4 153.3 30.11 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.569 0.699 . . . . 0.96 111.917 -176.105 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -75.25 -29.95 60.35 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 115.186 -0.915 . . . . 0.36 111.776 -176.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -127.87 144.14 51.1 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.171 -0.677 . . . . 1.27 109.171 -177.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 566' ' ' THR . . . . . 0.404 HG22 ' H ' ' A' ' 566' ' ' THR . 2.2 t -61.67 -35.98 79.55 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.105 -0.498 . . . . 0.52 110.921 -179.548 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -67.66 -32.96 74.01 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.718 -0.673 . . . . 1.91 110.841 176.017 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 568' ' ' ALA . . . . . 0.519 ' HB1' ' CA ' ' A' ' 545' ' ' GLY . . . -61.93 -44.54 96.57 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.15 -0.477 . . . . 0.28 110.389 -176.63 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -68.1 -46.31 71.29 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.904 -0.589 . . . . 0.19 111.277 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 570' ' ' GLN . . . . . 0.507 ' O ' ' HG2' ' A' ' 574' ' ' GLN . 46.0 mt-30 -68.76 -46.01 69.92 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.378 -0.374 . . . . 1.21 111.774 -177.207 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -63.8 -41.74 97.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.385 -0.37 . . . . 0.31 111.593 -175.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 572' ' ' MET . . . . . 0.583 ' SD ' ' HE2' ' A' ' 563' ' ' MET . 14.9 ptp -65.34 -44.6 87.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.027 0.441 . . . . 0.62 109.949 179.74 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 573' ' ' VAL . . . . . 0.595 HG13 ' HA ' ' A' ' 591' ' ' ARG . 51.6 t -67.04 -37.59 79.64 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.655 0 CA-C-N 115.787 -0.642 . . . . 0.21 111.617 -176.116 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 574' ' ' GLN . . . . . 0.507 ' HG2' ' O ' ' A' ' 570' ' ' GLN . 28.9 mm-40 -60.13 -36.98 78.68 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.574 -0.528 . . . . 1.9 109.574 176.519 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -68.57 -47.53 66.57 Favored 'General case' 0 C--O 1.218 -0.58 0 CA-C-N 115.715 -0.675 . . . . 0.52 110.693 174.161 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 576' ' ' TYR . . . . . 0.482 ' CB ' ' HB ' ' A' ' 590' ' ' ILE . 21.1 m-85 -76.75 -17.84 58.82 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 113.18 0.807 . . . . 0.34 113.18 -173.2 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 62.0 mt-30 -79.06 -26.89 43.04 Favored 'General case' 0 C--N 1.318 -0.804 0 C-N-CA 120.013 -0.675 . . . . 1.84 110.932 174.399 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -96.7 -38.59 9.86 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.172 0.51 . . . . 2.07 110.715 177.466 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -129.94 82.32 66.8 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-N 115.692 -0.685 . . . . 2.07 109.548 176.008 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 580' ' ' PRO . . . . . 0.457 ' HB3' ' O ' ' A' ' 588' ' ' LEU . 14.7 Cg_exo -71.65 159.19 51.69 Favored 'Trans proline' 0 CA--C 1.529 0.272 0 C-N-CA 123.429 2.753 . . . . 0.19 112.87 -174.432 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -93.42 153.08 18.7 Favored 'General case' 0 C--O 1.222 -0.345 0 CA-C-N 116.142 -0.481 . . . . 0.2 110.284 -176.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 582' ' ' ILE . . . . . 0.47 HG12 ' HG2' ' A' ' 587' ' ' LYS . 56.8 mt -114.45 127.42 71.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 112.411 0.523 . . . . 0.54 112.411 -170.545 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 583' ' ' ILE . . . . . 0.441 HG22 HD22 ' A' ' 584' ' ' ASN . 16.9 mt -122.5 123.41 68.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.867 -0.606 . . . . 0.73 110.459 171.671 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 584' ' ' ASN . . . . . 0.441 HD22 HG22 ' A' ' 583' ' ' ILE . 53.8 m-80 51.71 45.74 27.65 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 115.905 -0.589 . . . . 1.46 112.109 -178.703 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 78.01 8.31 87.39 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.981 -0.628 . . . . 0.67 113.683 173.249 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -116.39 133.41 56.05 Favored 'General case' 0 N--CA 1.433 -1.32 0 CA-C-N 117.305 0.552 . . . . 1.93 109.86 178.386 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 587' ' ' LYS . . . . . 0.47 ' HG2' HG12 ' A' ' 582' ' ' ILE . 52.2 mtmt -83.51 107.87 16.27 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.016 -0.538 . . . . 2.12 110.152 179.261 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 588' ' ' LEU . . . . . 0.457 ' O ' ' HB3' ' A' ' 580' ' ' PRO . 37.6 mt -77.63 128.73 34.58 Favored 'General case' 0 CA--C 1.505 -0.776 0 CA-C-N 115.764 -0.653 . . . . 0.28 110.403 -176.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 589' ' ' LEU . . . . . 0.459 ' HB3' ' SG ' ' A' ' 525' ' ' CYS . 53.4 tp -82.8 108.16 15.94 Favored 'General case' 0 C--N 1.309 -1.164 0 N-CA-C 108.01 -1.107 . . . . 0.38 108.01 171.326 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 590' ' ' ILE . . . . . 0.482 ' HB ' ' CB ' ' A' ' 576' ' ' TYR . 59.4 mt -96.7 114.71 34.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 N-CA-C 107.412 -1.329 . . . . 0.17 107.412 177.631 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 591' ' ' ARG . . . . . 0.595 ' HA ' HG13 ' A' ' 573' ' ' VAL . 12.7 ptt180 -142.06 165.05 28.5 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.367 0.506 . . . . 3.0 112.367 -169.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 592' ' ' MET . . . . . 0.503 ' HG2' HG11 ' A' ' 573' ' ' VAL . 0.3 OUTLIER -72.2 128.33 35.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.532 -0.758 . . . . 0.33 110.506 -175.421 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 45.7 t -87.52 133.91 33.7 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.686 0.279 . . . . 1.04 110.513 178.645 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 2.9 p -98.84 -8.24 26.1 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.065 0.459 . . . . 1.6 110.881 174.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -77.13 -36.49 55.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.012 -0.54 . . . . 2.94 110.426 -179.266 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -119.1 135.51 54.62 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.191 0.519 . . . . 0.93 111.633 178.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 34.4 mtmm -90.47 -21.67 21.76 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.692 -0.855 . . . . 3.4 108.692 168.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -160.21 158.29 29.78 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.791 -1.095 . . . . 2.02 108.998 178.585 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 599' ' ' LEU . . . . . 0.585 HD12 ' HB2' ' A' ' 562' ' ' GLU . 98.6 mt . . . . . 0 C--N 1.318 -0.777 0 N-CA-C 109.286 -0.635 . . . . 1.02 109.286 175.623 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 521' ' ' VAL . . . . . 0.474 ' O ' ' HB3' ' A' ' 593' ' ' SER . 61.5 t . . . . . 0 C--O 1.223 -0.34 0 N-CA-C 109.025 -0.732 . . . . 0.44 109.025 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 522' ' ' VAL . . . . . . . . . . . . . 86.1 t -99.58 133.89 40.8 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.871 0 CA-C-O 120.61 0.243 . . . . 0.25 110.426 -178.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 3.8 p-80 -110.69 140.05 45.41 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.655 -0.418 . . . . 1.75 109.934 178.385 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 524' ' ' ILE . . . . . 0.613 HD12 HG13 ' A' ' 537' ' ' VAL . 77.8 mt -112.12 130.04 66.52 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 115.812 -0.631 . . . . 0.28 110.774 -178.72 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 66.7 m -111.1 174.9 5.64 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.675 -0.693 . . . . 1.28 110.894 -177.604 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 13.6 m120 68.82 27.05 5.82 Favored 'General case' 0 N--CA 1.467 0.422 0 O-C-N 123.724 0.64 . . . . 1.22 111.599 177.541 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 85.7 mt -88.4 119.6 70.23 Favored Pre-proline 0 C--N 1.321 -0.636 0 CA-C-N 116.524 -0.307 . . . . 0.6 111.229 -177.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 528' ' ' PRO . . . . . 0.82 ' HD2' ' SG ' ' A' ' 532' ' ' CYS . 22.3 Cg_exo -68.34 130.81 21.91 Favored 'Trans proline' 0 C--O 1.237 0.462 0 C-N-CA 122.157 1.905 . . . . 0.62 112.028 169.373 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.33 139.76 52.08 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.009 -0.541 . . . . 2.98 111.042 176.732 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 80.14 -19.47 6.64 Favored Glycine 0 CA--C 1.518 0.228 0 CA-C-N 116.168 -0.469 . . . . 0.94 113.808 173.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 9.5 t -100.79 -34.28 9.89 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 117.169 0.484 . . . . 1.17 110.701 -177.452 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 532' ' ' CYS . . . . . 0.82 ' SG ' ' HD2' ' A' ' 528' ' ' PRO . 58.3 m -80.85 142.53 33.56 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.706 -0.479 . . . . 0.77 109.706 176.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 62.0 p -105.87 159.02 16.35 Favored 'General case' 0 N--CA 1.442 -0.834 0 C-N-CA 120.346 -0.542 . . . . 0.54 109.614 176.015 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 534' ' ' GLU . . . . . 0.464 ' HG2' ' CD1' ' A' ' 552' ' ' LEU . 24.5 mt-10 -55.55 -38.13 68.88 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 109.127 -0.694 . . . . 1.32 109.127 175.643 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -61.48 -43.83 98.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.614 -1.175 . . . . 1.95 111.358 -177.305 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 536' ' ' ASP . . . . . 0.609 ' O ' ' HG ' ' A' ' 540' ' ' LEU . 25.8 m-20 -62.13 -47.45 84.49 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 121.033 0.445 . . . . 0.52 110.82 -178.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 537' ' ' VAL . . . . . 0.613 HG13 HD12 ' A' ' 524' ' ' ILE . 85.8 t -62.2 -43.34 97.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.63 -0.714 . . . . 0.25 110.911 -177.653 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 97.0 mt -66.84 -41.93 88.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.988 -0.551 . . . . 0.24 110.64 177.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 539' ' ' ASN . . . . . 0.642 ' O ' ' HD3' ' A' ' 543' ' ' PRO . 75.3 m-20 -64.26 -29.32 70.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.838 -0.619 . . . . 1.07 112.138 -179.097 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 540' ' ' LEU . . . . . 0.609 ' HG ' ' O ' ' A' ' 536' ' ' ASP . 30.5 mt -64.51 -38.64 91.73 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 111.997 0.369 . . . . 0.36 111.997 -177.51 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -79.4 -35.68 28.87 Favored Glycine 0 CA--C 1.518 0.246 0 C-N-CA 120.515 -0.85 . . . . 0.22 112.746 -177.261 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 542' ' ' LEU . . . . . . . . . . . . . 69.6 mt -49.02 -44.43 71.81 Favored Pre-proline 0 CA--C 1.549 0.916 0 N-CA-C 115.323 1.601 . . . . 0.25 115.323 -175.625 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 543' ' ' PRO . . . . . 0.642 ' HD3' ' O ' ' A' ' 539' ' ' ASN . 70.8 Cg_exo -50.22 -33.38 35.93 Favored 'Trans proline' 0 C--N 1.355 0.886 0 C-N-CA 122.088 1.859 . . . . 0.19 115.527 -172.549 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -111.02 -17.72 13.21 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 113.214 0.82 . . . . 0.35 113.214 177.556 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -131.03 -148.53 6.28 Favored Glycine 0 C--O 1.227 -0.303 0 C-N-CA 120.803 -0.713 . . . . 1.14 113.314 -179.074 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 546' ' ' LYS . . . . . 0.616 ' O ' ' HA ' ' A' ' 563' ' ' MET . 60.1 tptt -143.95 139.51 29.15 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 109.7 -0.482 . . . . 1.56 109.7 178.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 547' ' ' VAL . . . . . 0.453 ' HA ' ' O ' ' A' ' 562' ' ' GLU . 90.3 t -104.81 118.78 52.73 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.591 0 CA-C-O 121.124 0.488 . . . . 0.25 110.428 -178.812 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 548' ' ' THR . . . . . 0.44 HG21 ' HA ' ' A' ' 564' ' ' ALA . 31.5 p -94.0 -38.56 11.1 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 115.59 -0.732 . . . . 0.37 111.012 178.212 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -147.64 166.08 28.5 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.434 -0.803 . . . . 1.43 109.449 -175.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 3.2 p90 -149.79 148.81 29.64 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.988 -0.375 . . . . 0.47 109.988 174.354 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 551' ' ' ILE . . . . . 0.4 HD12 HD22 ' A' ' 599' ' ' LEU . 17.1 mt -137.61 123.13 25.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 121.357 0.599 . . . . 0.37 109.591 176.473 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 552' ' ' LEU . . . . . 0.464 ' CD1' ' HG2' ' A' ' 534' ' ' GLU . 84.0 mt -105.27 115.6 30.54 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.575 -0.739 . . . . 0.45 110.985 -177.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 24.4 mmt -101.82 84.33 2.53 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.644 -0.873 . . . . 1.18 108.644 173.46 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 31.1 mmtp -69.56 -29.07 66.55 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.879 -0.6 . . . . 1.45 110.913 -178.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 67.1 p -58.56 -35.8 72.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.837 -0.62 . . . . 1.11 111.183 177.534 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 69.4 p -101.17 5.49 42.71 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.172 0.511 . . . . 0.88 110.554 177.456 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 6.3 t30 56.93 42.64 25.99 Favored 'General case' 0 C--O 1.226 -0.164 0 CA-C-N 114.996 -1.002 . . . . 2.35 111.002 179.284 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -140.22 155.36 46.93 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.842 0.353 . . . . 2.07 110.581 -175.407 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -129.93 143.84 51.01 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.778 0.323 . . . . 0.27 111.086 -177.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 560' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -122.91 137.13 55.03 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.759 -0.655 . . . . 0.33 109.91 178.119 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 561' ' ' LEU . . . . . 0.52 ' HB3' ' HE1' ' A' ' 563' ' ' MET . 15.4 tp -127.04 133.51 50.49 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.18 -0.464 . . . . 0.22 109.928 -175.634 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 562' ' ' GLU . . . . . 0.453 ' O ' ' HA ' ' A' ' 547' ' ' VAL . 28.1 tt0 -100.97 139.1 37.13 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-O 120.733 0.302 . . . . 1.85 110.6 -177.499 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 563' ' ' MET . . . . . 0.616 ' HA ' ' O ' ' A' ' 546' ' ' LYS . 0.7 OUTLIER -110.96 155.16 23.09 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.07 -0.514 . . . . 0.96 111.31 -179.171 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 564' ' ' ALA . . . . . 0.44 ' HA ' HG21 ' A' ' 548' ' ' THR . . . -66.32 -45.87 78.84 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.002 -0.545 . . . . 0.36 111.455 -177.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -133.53 155.92 48.73 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.793 -0.64 . . . . 1.27 109.612 -178.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 9.4 t -56.43 -35.06 67.41 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.765 0.317 . . . . 0.52 110.444 179.348 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -61.89 -33.97 75.19 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-N 115.979 -0.555 . . . . 1.91 111.064 177.519 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 568' ' ' ALA . . . . . 0.408 ' HB1' ' H ' ' A' ' 546' ' ' LYS . . . -67.67 -46.57 71.96 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.105 0.478 . . . . 0.28 110.101 -179.648 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 569' ' ' ALA . . . . . 0.423 ' HA ' ' HG2' ' A' ' 563' ' ' MET . . . -69.42 -46.98 65.52 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.481 -0.781 . . . . 0.19 111.949 -178.183 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 570' ' ' GLN . . . . . 0.419 HE21 ' HB3' ' A' ' 570' ' ' GLN . 1.5 pt20 -69.34 -42.22 75.59 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.614 -0.266 . . . . 1.21 111.207 -175.324 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -62.51 -45.08 94.64 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 120.709 0.29 . . . . 0.31 111.162 -177.399 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 572' ' ' MET . . . . . 0.509 ' HB2' ' CE1' ' A' ' 576' ' ' TYR . 19.7 ptp -66.46 -45.45 79.69 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 116.153 -0.476 . . . . 0.62 110.255 -178.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 573' ' ' VAL . . . . . 0.627 HG13 ' HA ' ' A' ' 591' ' ' ARG . 70.8 t -67.3 -36.73 77.47 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.471 0 CA-C-N 116.271 -0.422 . . . . 0.21 111.744 -176.128 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 25.8 mm-40 -58.59 -37.54 76.03 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.563 -0.532 . . . . 1.9 109.563 176.566 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 73.2 t80 -69.41 -49.92 50.67 Favored 'General case' 0 C--O 1.217 -0.611 0 CA-C-N 115.784 -0.643 . . . . 0.52 110.928 172.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 576' ' ' TYR . . . . . 0.509 ' CE1' ' HB2' ' A' ' 572' ' ' MET . 21.2 m-85 -72.89 -23.96 60.78 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 113.039 0.755 . . . . 0.34 113.039 -171.611 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -69.24 -30.45 68.59 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.307 -0.557 . . . . 1.84 110.51 174.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 39.7 mm-40 -97.39 -39.34 9.24 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.102 -0.499 . . . . 2.07 111.162 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -129.26 78.94 75.13 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 115.834 -0.621 . . . . 2.07 109.539 178.433 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -69.54 159.59 52.99 Favored 'Trans proline' 0 CA--C 1.533 0.431 0 C-N-CA 123.716 2.944 . . . . 0.19 113.733 -173.364 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 581' ' ' ALA . . . . . 0.444 ' HB1' HD22 ' A' ' 540' ' ' LEU . . . -92.33 153.97 18.87 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 115.543 -0.753 . . . . 0.2 110.906 -174.127 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 582' ' ' ILE . . . . . 0.475 HG12 ' HG2' ' A' ' 587' ' ' LYS . 75.6 mt -112.84 129.06 69.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 113.277 0.843 . . . . 0.54 113.277 -169.113 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 583' ' ' ILE . . . . . 0.438 HD12 HD11 ' A' ' 588' ' ' LEU . 18.2 mt -124.19 127.47 73.36 Favored 'Isoleucine or valine' 0 C--O 1.234 0.282 0 CA-C-N 115.298 -0.865 . . . . 0.73 109.418 167.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 59.71 33.77 21.93 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 122.873 0.469 . . . . 1.46 111.787 -179.567 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 82.21 -4.12 78.05 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.782 -0.723 . . . . 0.67 113.541 176.427 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -107.15 138.2 43.77 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 117.162 0.481 . . . . 1.93 110.328 179.785 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 587' ' ' LYS . . . . . 0.475 ' HG2' HG12 ' A' ' 582' ' ' ILE . 28.8 mtpp -82.97 117.23 22.65 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.954 -0.566 . . . . 2.12 110.317 -178.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 588' ' ' LEU . . . . . 0.438 HD11 HD12 ' A' ' 583' ' ' ILE . 38.2 mt -85.68 136.28 33.42 Favored 'General case' 0 CA--C 1.509 -0.633 0 CA-C-N 115.583 -0.735 . . . . 0.28 109.698 178.75 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 50.5 tp -83.26 109.76 17.51 Favored 'General case' 0 C--N 1.313 -0.98 0 C-N-CA 120.002 -0.679 . . . . 0.38 109.183 173.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 590' ' ' ILE . . . . . 0.464 ' HB ' ' CB ' ' A' ' 576' ' ' TYR . 44.1 mt -97.26 114.98 35.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 N-CA-C 107.463 -1.31 . . . . 0.17 107.463 176.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 591' ' ' ARG . . . . . 0.627 ' HA ' HG13 ' A' ' 573' ' ' VAL . 13.5 ptm180 -143.28 156.77 44.8 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.274 0.559 . . . . 3.0 112.469 -170.234 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 592' ' ' MET . . . . . 0.62 ' HG2' HG11 ' A' ' 573' ' ' VAL . 0.6 OUTLIER -64.03 125.02 23.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.067 -0.97 . . . . 0.33 109.997 -178.004 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 593' ' ' SER . . . . . 0.474 ' HB3' ' O ' ' A' ' 521' ' ' VAL . 29.9 t -89.57 135.84 33.37 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.874 0.369 . . . . 1.04 110.188 177.585 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 16.7 p -97.43 -4.05 38.96 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.381 0.61 . . . . 1.6 110.182 175.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -84.35 -25.25 29.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.37 -0.832 . . . . 2.94 111.376 -176.288 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 47.4 m-85 -131.3 132.88 44.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.041 0.448 . . . . 0.93 111.295 177.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 28.6 ttpp -92.03 -29.17 16.73 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.563 -0.744 . . . . 3.4 109.711 172.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -157.71 145.53 18.72 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 114.975 -1.011 . . . . 2.02 109.396 -178.441 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 599' ' ' LEU . . . . . 0.413 HD12 ' HB2' ' A' ' 562' ' ' GLU . 77.2 mt . . . . . 0 C--N 1.323 -0.544 0 CA-C-O 121.497 0.665 . . . . 1.02 111.0 -179.615 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 95.0 t . . . . . 0 N--CA 1.449 -0.478 0 CA-C-O 121.25 0.547 . . . . 0.44 110.541 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 522' ' ' VAL . . . . . 0.413 HG22 ' HE3' ' A' ' 592' ' ' MET . 48.0 t -107.84 133.92 51.22 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.941 0 CA-C-N 115.638 -0.71 . . . . 0.25 109.272 176.388 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 523' ' ' HIS . . . . . 0.566 ' HB3' ' OG ' ' A' ' 593' ' ' SER . 8.2 p-80 -111.91 140.29 46.69 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.281 0.562 . . . . 1.75 110.481 -178.508 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 524' ' ' ILE . . . . . 0.536 HD12 HG13 ' A' ' 537' ' ' VAL . 76.7 mt -113.32 130.46 67.24 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.86 0 CA-C-N 115.193 -0.912 . . . . 0.28 110.365 -179.765 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 22.0 p -120.27 175.31 6.01 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.959 -0.564 . . . . 1.28 110.274 -179.005 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 18.6 m120 67.11 29.78 7.69 Favored 'General case' 0 N--CA 1.467 0.385 0 O-C-N 123.533 0.52 . . . . 1.22 110.755 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 78.5 mt -80.73 122.08 81.8 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 115.785 -0.643 . . . . 0.6 110.799 -176.267 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 528' ' ' PRO . . . . . 0.47 ' HD2' ' SG ' ' A' ' 532' ' ' CYS . 39.9 Cg_endo -68.26 130.21 20.82 Favored 'Trans proline' 0 N--CA 1.459 -0.528 0 C-N-CA 121.821 1.68 . . . . 0.62 111.421 177.788 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -68.45 125.41 26.39 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.654 -0.703 . . . . 2.98 110.88 -177.524 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 82.28 -15.89 26.25 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.98 -0.628 . . . . 0.94 113.659 176.378 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 46.6 t -89.93 -36.7 14.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 117.41 0.605 . . . . 1.17 110.938 -177.662 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 532' ' ' CYS . . . . . 0.47 ' SG ' ' HD2' ' A' ' 528' ' ' PRO . 74.6 m -87.01 138.95 31.06 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.633 -0.258 . . . . 0.77 110.733 176.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 81.5 p -105.68 169.82 8.25 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.44 -0.578 . . . . 0.54 109.44 174.093 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 534' ' ' GLU . . . . . 0.53 ' HG3' ' CD1' ' A' ' 552' ' ' LEU . 1.6 mp0 -57.0 -44.34 82.68 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.04 0.447 . . . . 1.32 110.342 -179.748 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -61.86 -41.88 98.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.652 -0.704 . . . . 1.95 111.698 -176.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 536' ' ' ASP . . . . . 0.476 ' O ' ' HG ' ' A' ' 540' ' ' LEU . 60.6 m-20 -58.9 -47.53 84.65 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 120.961 0.41 . . . . 0.52 110.655 -176.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 537' ' ' VAL . . . . . 0.536 HG13 HD12 ' A' ' 524' ' ' ILE . 48.4 t -63.35 -45.69 97.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.457 -0.792 . . . . 0.25 110.532 -177.356 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 92.6 mt -62.93 -40.42 88.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.777 -0.647 . . . . 0.24 111.005 178.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 539' ' ' ASN . . . . . 0.642 ' O ' ' HD3' ' A' ' 543' ' ' PRO . 0.9 OUTLIER -69.27 -28.75 66.57 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.906 -0.588 . . . . 1.07 112.104 -176.846 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 540' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' A' ' 536' ' ' ASP . 24.2 mt -64.11 -33.07 74.94 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.678 0.622 . . . . 0.36 112.678 -176.414 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -78.27 -32.1 44.49 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 119.906 -1.14 . . . . 0.22 111.953 179.627 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 542' ' ' LEU . . . . . 0.619 HD12 ' HA ' ' A' ' 539' ' ' ASN . 96.1 mt -53.82 -39.42 73.1 Favored Pre-proline 0 CA--C 1.549 0.922 0 N-CA-C 115.406 1.632 . . . . 0.25 115.406 -173.344 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 543' ' ' PRO . . . . . 0.642 ' HD3' ' O ' ' A' ' 539' ' ' ASN . 79.7 Cg_exo -53.39 -34.24 70.19 Favored 'Trans proline' 0 C--N 1.355 0.916 0 CA-C-N 121.258 1.485 . . . . 0.19 115.05 -174.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 544' ' ' PHE . . . . . 0.505 ' HB2' ' CB ' ' A' ' 572' ' ' MET . 90.6 m-85 -111.26 -18.47 12.94 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 113.094 0.775 . . . . 0.35 113.094 177.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 545' ' ' GLY . . . . . 0.567 ' CA ' ' HB1' ' A' ' 568' ' ' ALA . . . -131.61 -159.6 9.51 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.718 -0.753 . . . . 1.14 113.38 -179.434 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 546' ' ' LYS . . . . . 0.628 ' O ' ' HA ' ' A' ' 563' ' ' MET . 55.8 tttp -136.44 137.84 40.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 122.595 -0.356 . . . . 1.56 110.391 175.234 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 547' ' ' VAL . . . . . 0.497 ' HA ' ' O ' ' A' ' 562' ' ' GLU . 94.0 t -95.67 133.4 36.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 123.509 0.505 . . . . 0.25 111.049 -178.131 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 36.4 p -107.86 -38.14 5.91 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.759 -0.655 . . . . 0.37 111.288 175.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 43.9 m-20 -148.71 165.78 30.35 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.898 -0.592 . . . . 1.43 110.095 -176.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 7.8 p90 -147.82 148.59 31.06 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.055 0.455 . . . . 0.47 111.05 177.026 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 551' ' ' ILE . . . . . 0.451 HD12 HD22 ' A' ' 599' ' ' LEU . 25.8 mt -133.14 121.48 43.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 108.59 -0.893 . . . . 0.37 108.59 171.453 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 552' ' ' LEU . . . . . 0.53 ' CD1' ' HG3' ' A' ' 534' ' ' GLU . 77.3 mt -112.1 115.55 29.06 Favored 'General case' 0 C--N 1.312 -1.026 0 CA-C-N 116.02 -0.537 . . . . 0.45 111.585 -175.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 66.7 mtt -108.36 84.66 1.98 Allowed 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.094 -0.706 . . . . 1.18 109.094 173.628 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 27.8 mmtp -68.26 -35.54 78.05 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.311 -0.859 . . . . 1.45 110.634 -175.588 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 65.1 p -68.5 -23.07 64.51 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.595 -0.73 . . . . 1.11 112.123 -177.457 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 76.6 p -107.09 10.28 30.23 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.946 -0.302 . . . . 0.88 111.342 179.201 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 57.17 44.06 22.92 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 115.633 -0.712 . . . . 2.35 110.872 178.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -140.97 148.7 40.76 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.083 0.468 . . . . 2.07 110.831 -178.366 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 559' ' ' ALA . . . . . 0.5 ' O ' ' HA ' ' A' ' 523' ' ' HIS . . . -134.92 143.37 46.88 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 116.01 -0.541 . . . . 0.27 110.021 177.346 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 560' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -125.95 127.02 45.3 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.834 -0.432 . . . . 0.33 109.834 178.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 14.5 tp -126.72 129.95 49.4 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.026 -0.534 . . . . 0.22 109.782 -175.319 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 562' ' ' GLU . . . . . 0.497 ' O ' ' HA ' ' A' ' 547' ' ' VAL . 40.8 tt0 -99.21 137.97 36.97 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-O 120.647 0.261 . . . . 1.85 110.481 -174.517 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 563' ' ' MET . . . . . 0.628 ' HA ' ' O ' ' A' ' 546' ' ' LYS . 20.3 mmt -113.61 136.37 52.9 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.011 -0.54 . . . . 0.96 111.624 -175.194 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -65.05 -21.2 66.79 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-N 114.956 -1.02 . . . . 0.36 112.183 -176.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 565' ' ' TYR . . . . . 0.42 ' HB2' ' HB2' ' A' ' 568' ' ' ALA . 41.7 m-85 -130.78 139.89 50.26 Favored 'General case' 0 C--N 1.315 -0.933 0 N-CA-C 109.229 -0.656 . . . . 1.27 109.229 -177.81 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 15.0 t -66.85 -29.39 69.29 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.523 -0.547 . . . . 0.52 109.523 176.132 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -66.21 -40.5 90.4 Favored 'General case' 0 CA--C 1.511 -0.521 0 CA-C-N 115.837 -0.62 . . . . 1.91 110.019 173.052 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 568' ' ' ALA . . . . . 0.567 ' HB1' ' CA ' ' A' ' 545' ' ' GLY . . . -61.33 -46.33 90.71 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.407 -0.815 . . . . 0.28 110.687 -177.249 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 569' ' ' ALA . . . . . 0.448 ' HB1' ' HE1' ' A' ' 592' ' ' MET . . . -67.92 -47.7 68.01 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.192 -0.458 . . . . 0.19 111.693 -177.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 570' ' ' GLN . . . . . 0.587 ' O ' ' HG2' ' A' ' 574' ' ' GLN . 47.7 mt-30 -68.73 -45.79 70.59 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.564 -0.289 . . . . 1.21 111.334 -176.762 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -63.9 -45.37 89.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.511 -0.313 . . . . 0.31 111.625 -175.613 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 572' ' ' MET . . . . . 0.505 ' CB ' ' HB2' ' A' ' 544' ' ' PHE . 18.6 ptp -62.2 -43.76 98.1 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.053 0.454 . . . . 0.62 110.076 -178.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 573' ' ' VAL . . . . . 0.635 HG13 ' HA ' ' A' ' 591' ' ' ARG . 93.8 t -66.91 -35.96 76.01 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.752 0 CA-C-N 115.753 -0.658 . . . . 0.21 111.261 -178.116 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 574' ' ' GLN . . . . . 0.587 ' HG2' ' O ' ' A' ' 570' ' ' GLN . 29.1 mm-40 -58.63 -37.43 75.89 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.504 -0.554 . . . . 1.9 109.504 177.187 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 83.3 t80 -68.91 -49.6 56.74 Favored 'General case' 0 C--O 1.218 -0.563 0 CA-C-N 115.788 -0.642 . . . . 0.52 110.944 172.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 576' ' ' TYR . . . . . 0.483 ' CB ' ' HB ' ' A' ' 590' ' ' ILE . 25.4 m-85 -74.0 -17.02 61.04 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 112.894 0.702 . . . . 0.34 112.894 -172.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 17.7 mm-40 -73.96 -29.84 62.21 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-O 120.976 0.417 . . . . 1.84 110.231 173.121 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -98.25 -40.34 8.4 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.092 -0.503 . . . . 2.07 111.541 179.632 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -130.44 81.06 69.06 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-N 115.707 -0.679 . . . . 2.07 109.534 176.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_exo -67.74 159.9 50.66 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 123.515 2.81 . . . . 0.19 111.926 -175.497 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -91.71 135.93 33.52 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.927 0.394 . . . . 0.2 110.692 -172.421 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 45.3 mt -106.69 129.95 59.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-N 115.995 -0.548 . . . . 0.54 111.148 -173.33 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 583' ' ' ILE . . . . . 0.412 HD12 HD11 ' A' ' 588' ' ' LEU . 47.7 mt -121.81 117.95 54.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.353 -0.385 . . . . 0.73 110.367 176.026 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 52.85 44.73 29.96 Favored 'General case' 0 N--CA 1.464 0.262 0 O-C-N 123.703 0.627 . . . . 1.46 111.416 176.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 85.88 -4.11 86.28 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.98 -0.629 . . . . 0.67 113.386 176.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 60.2 mm-40 -101.94 126.58 48.89 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 117.19 0.495 . . . . 1.93 110.763 -179.245 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -84.48 107.14 16.57 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.772 -0.455 . . . . 2.12 109.772 178.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 588' ' ' LEU . . . . . 0.47 HD12 ' CD1' ' A' ' 540' ' ' LEU . 42.2 mt -89.17 123.22 33.22 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.178 -0.465 . . . . 0.28 110.297 -179.507 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 36.2 tp -83.03 109.2 16.9 Favored 'General case' 0 N--CA 1.437 -1.08 0 N-CA-C 108.47 -0.937 . . . . 0.38 108.47 174.606 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 590' ' ' ILE . . . . . 0.483 ' HB ' ' CB ' ' A' ' 576' ' ' TYR . 35.2 mt -95.94 115.24 34.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 N-CA-C 107.834 -1.173 . . . . 0.17 107.834 178.755 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 591' ' ' ARG . . . . . 0.635 ' HA ' HG13 ' A' ' 573' ' ' VAL . 13.5 ptm180 -142.35 158.78 43.34 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 113.055 0.761 . . . . 3.0 113.055 -169.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 592' ' ' MET . . . . . 0.618 ' HG2' HG11 ' A' ' 573' ' ' VAL . 0.1 OUTLIER -64.12 134.33 54.69 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.006 -0.997 . . . . 0.33 111.395 -174.89 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 593' ' ' SER . . . . . 0.566 ' OG ' ' HB3' ' A' ' 523' ' ' HIS . 19.3 m -88.78 127.1 35.6 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.624 0.25 . . . . 1.04 111.407 176.161 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 9.3 t -95.14 -23.34 17.34 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.244 -0.65 . . . . 1.6 109.244 171.663 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 39.6 mmt180 -71.4 -32.53 68.53 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.462 -0.79 . . . . 2.94 111.127 -178.257 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -124.78 130.95 53.39 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 110.25 -0.278 . . . . 0.93 110.25 179.002 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 44.0 mmtm -93.49 -35.52 12.91 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.303 0.573 . . . . 3.4 109.689 172.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -147.04 148.93 32.16 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.236 -0.893 . . . . 2.02 109.922 178.701 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 599' ' ' LEU . . . . . 0.451 HD22 HD12 ' A' ' 551' ' ' ILE . 80.1 mt . . . . . 0 C--N 1.322 -0.624 0 N-CA-C 109.702 -0.481 . . . . 1.02 109.702 175.456 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 71.6 t . . . . . 0 N--CA 1.448 -0.574 0 N-CA-C 108.44 -0.948 . . . . 0.44 108.44 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 522' ' ' VAL . . . . . . . . . . . . . 68.0 t -98.73 127.36 51.39 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.024 0 N-CA-C 109.865 -0.42 . . . . 0.25 109.865 -176.649 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 523' ' ' HIS . . . . . 0.467 ' HA ' ' O ' ' A' ' 559' ' ' ALA . 2.5 p-80 -106.37 138.29 42.82 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.23 0.538 . . . . 1.75 110.375 -179.701 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 524' ' ' ILE . . . . . 0.616 HD12 HG13 ' A' ' 537' ' ' VAL . 79.3 mt -112.1 137.7 43.82 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-N 115.351 -0.84 . . . . 0.28 110.056 -179.6 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 63.5 m -124.46 172.03 9.49 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.875 -0.602 . . . . 1.28 110.872 -174.361 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 63.9 37.7 9.37 Favored 'General case' 0 N--CA 1.467 0.38 0 O-C-N 123.72 0.637 . . . . 1.22 110.753 179.083 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 527' ' ' LEU . . . . . 0.414 HD21 HD13 ' A' ' 588' ' ' LEU . 80.4 mt -90.14 122.27 67.79 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 115.962 -0.563 . . . . 0.6 110.751 -177.223 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 528' ' ' PRO . . . . . 0.47 ' HD2' ' SG ' ' A' ' 532' ' ' CYS . 32.8 Cg_endo -68.45 129.18 18.52 Favored 'Trans proline' 0 C--O 1.237 0.469 0 C-N-CA 121.622 1.548 . . . . 0.62 111.793 174.293 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -68.7 126.65 30.4 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.681 -0.69 . . . . 2.98 110.43 178.045 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 88.54 -17.79 46.71 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.709 -0.758 . . . . 0.94 113.526 174.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 7.6 t -99.03 -37.44 9.36 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 117.454 0.627 . . . . 1.17 110.888 -177.309 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 532' ' ' CYS . . . . . 0.47 ' SG ' ' HD2' ' A' ' 528' ' ' PRO . 76.5 m -87.9 135.58 33.34 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 110.093 -0.336 . . . . 0.77 110.093 173.71 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 69.3 p -105.83 170.42 7.91 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.889 -0.325 . . . . 0.54 110.133 178.557 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -52.64 -44.21 65.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.316 0.579 . . . . 1.32 109.73 175.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -59.8 -43.49 94.42 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 114.965 -1.016 . . . . 1.95 112.065 -175.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 536' ' ' ASP . . . . . 0.711 ' O ' ' HG ' ' A' ' 540' ' ' LEU . 27.8 m-20 -62.27 -46.54 88.32 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 120.68 -0.408 . . . . 0.52 110.45 -177.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 537' ' ' VAL . . . . . 0.616 HG13 HD12 ' A' ' 524' ' ' ILE . 52.3 t -61.64 -45.61 98.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.764 -0.653 . . . . 0.25 110.285 -177.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 95.8 mt -67.07 -41.39 87.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.77 -0.65 . . . . 0.24 111.02 178.572 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 539' ' ' ASN . . . . . 0.622 ' O ' ' HD3' ' A' ' 543' ' ' PRO . 85.9 m-20 -63.94 -28.35 69.77 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-N 116.197 -0.456 . . . . 1.07 111.816 -178.527 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 540' ' ' LEU . . . . . 0.711 ' HG ' ' O ' ' A' ' 536' ' ' ASP . 51.7 mt -68.26 -36.95 80.23 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.132 0.419 . . . . 0.36 112.132 -177.472 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -75.46 -38.64 37.73 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.144 -1.027 . . . . 0.22 112.323 -179.052 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 542' ' ' LEU . . . . . . . . . . . . . 98.0 mt -49.69 -42.59 68.82 Favored Pre-proline 0 CA--C 1.552 1.028 0 N-CA-C 115.284 1.587 . . . . 0.25 115.284 -173.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 543' ' ' PRO . . . . . 0.622 ' HD3' ' O ' ' A' ' 539' ' ' ASN . 90.0 Cg_exo -52.4 -34.53 61.51 Favored 'Trans proline' 0 C--N 1.356 0.957 0 C-N-CA 121.892 1.728 . . . . 0.19 115.457 -173.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 544' ' ' PHE . . . . . 0.511 ' HB2' ' CB ' ' A' ' 572' ' ' MET . 82.4 m-85 -110.84 -17.63 13.29 Favored 'General case' 0 N--CA 1.466 0.351 0 O-C-N 121.569 -0.707 . . . . 0.35 112.799 177.264 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 545' ' ' GLY . . . . . 0.4 ' HA3' ' CE ' ' A' ' 572' ' ' MET . . . -131.41 -147.75 6.06 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.936 -0.649 . . . . 1.14 113.103 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 546' ' ' LYS . . . . . 0.646 ' O ' ' HA ' ' A' ' 563' ' ' MET . 59.9 tttp -148.77 143.84 26.63 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.649 -0.5 . . . . 1.56 109.649 174.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 547' ' ' VAL . . . . . 0.477 ' HA ' ' O ' ' A' ' 562' ' ' GLU . 97.0 t -100.35 130.2 49.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.039 0.447 . . . . 0.25 110.859 -177.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 26.6 p -103.36 -39.54 6.75 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.67 -0.696 . . . . 0.37 111.335 175.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 64.6 m-80 -148.96 166.23 29.24 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.896 -0.593 . . . . 1.43 109.864 -179.139 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 10.9 p90 -148.05 150.35 33.78 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.594 -0.276 . . . . 0.47 110.408 176.691 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 551' ' ' ILE . . . . . 0.473 HD12 HD22 ' A' ' 599' ' ' LEU . 14.2 mt -134.26 123.31 43.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 N-CA-C 109.008 -0.738 . . . . 0.37 109.008 173.463 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 552' ' ' LEU . . . . . . . . . . . . . 75.3 mt -111.78 113.6 26.06 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 116.316 -0.402 . . . . 0.45 111.549 -176.399 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 55.6 mtt -107.67 85.75 2.18 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.023 -0.732 . . . . 1.18 109.023 174.547 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp -67.97 -30.34 69.6 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.704 -0.68 . . . . 1.45 111.03 -176.258 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 67.1 p -63.25 -36.04 82.33 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.054 -0.521 . . . . 1.11 111.544 -178.655 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 556' ' ' THR . . . . . 0.4 ' O ' ' HG2' ' A' ' 558' ' ' GLN . 73.6 p -98.62 10.28 41.39 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.723 0.297 . . . . 0.88 111.363 -178.445 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 57.72 42.55 23.47 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.632 -0.713 . . . . 2.35 110.724 -179.675 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 558' ' ' GLN . . . . . 0.4 ' HG2' ' O ' ' A' ' 556' ' ' THR . 12.1 mm100 -135.88 148.7 48.72 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.189 0.519 . . . . 2.07 111.288 -174.661 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 559' ' ' ALA . . . . . 0.467 ' O ' ' HA ' ' A' ' 523' ' ' HIS . . . -132.87 143.83 49.78 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.786 -0.643 . . . . 0.27 109.897 175.427 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 560' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 -124.74 126.48 45.74 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 109.557 -0.534 . . . . 0.33 109.557 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 561' ' ' LEU . . . . . 0.406 HD12 ' HA ' ' A' ' 561' ' ' LEU . 14.4 tp -125.47 130.18 51.28 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.306 -0.406 . . . . 0.22 109.986 -176.452 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 562' ' ' GLU . . . . . 0.548 ' HB2' HD12 ' A' ' 599' ' ' LEU . 37.6 tt0 -100.08 138.14 37.56 Favored 'General case' 0 CA--C 1.515 -0.386 0 CA-C-N 116.416 -0.357 . . . . 1.85 110.42 -176.399 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 563' ' ' MET . . . . . 0.646 ' HA ' ' O ' ' A' ' 546' ' ' LYS . 16.4 mmt -112.55 135.67 52.99 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.063 -0.517 . . . . 0.96 110.805 -175.286 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -60.81 -24.01 65.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.466 -0.788 . . . . 0.36 112.84 -173.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -137.02 147.84 46.47 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.594 -0.275 . . . . 1.27 110.399 -177.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 15.2 t -58.88 -37.91 77.62 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.343 0.592 . . . . 0.52 110.316 177.542 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -67.21 -34.38 77.36 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.35 -0.841 . . . . 1.91 110.745 175.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 568' ' ' ALA . . . . . . . . . . . . . . . -61.94 -46.73 88.03 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.961 0.41 . . . . 0.28 109.952 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 569' ' ' ALA . . . . . 0.467 ' HA ' ' HG3' ' A' ' 563' ' ' MET . . . -68.55 -46.63 68.98 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.712 -0.677 . . . . 0.19 111.613 -179.605 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 570' ' ' GLN . . . . . 0.449 ' O ' ' HG2' ' A' ' 574' ' ' GLN . 48.3 mt-30 -68.8 -45.97 69.88 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.466 -0.334 . . . . 1.21 111.354 -175.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -62.14 -43.33 99.08 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 120.705 0.288 . . . . 0.31 111.38 -176.363 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 572' ' ' MET . . . . . 0.511 ' CB ' ' HB2' ' A' ' 544' ' ' PHE . 19.0 ptp -68.25 -47.21 68.36 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.608 -0.437 . . . . 0.62 110.628 -177.571 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 573' ' ' VAL . . . . . 0.542 HG11 ' HG2' ' A' ' 592' ' ' MET . 91.2 t -67.39 -36.54 76.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.543 0 CA-C-N 116.326 -0.397 . . . . 0.21 111.773 -176.127 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 574' ' ' GLN . . . . . 0.449 ' HG2' ' O ' ' A' ' 570' ' ' GLN . 27.2 mm-40 -58.85 -37.91 77.54 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.577 -0.527 . . . . 1.9 109.577 176.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 66.6 t80 -69.54 -49.66 52.29 Favored 'General case' 0 C--O 1.219 -0.531 0 CA-C-N 115.895 -0.593 . . . . 0.52 111.01 173.073 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 576' ' ' TYR . . . . . 0.44 ' CE1' ' HB2' ' A' ' 572' ' ' MET . 22.2 m-85 -72.82 -16.47 61.61 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 112.935 0.717 . . . . 0.34 112.935 -172.422 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -79.27 -27.53 42.31 Favored 'General case' 0 C--N 1.314 -0.952 0 C-N-CA 120.284 -0.566 . . . . 1.84 110.607 173.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -96.49 -39.21 9.67 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.047 0.451 . . . . 2.07 110.855 178.624 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 42.5 mtpt -130.07 82.83 65.17 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 115.772 -0.649 . . . . 2.07 109.565 173.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_exo -68.04 161.75 42.94 Favored 'Trans proline' 0 C--O 1.234 0.278 0 C-N-CA 123.667 2.912 . . . . 0.19 112.224 -176.491 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -90.49 141.34 28.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.002 0.43 . . . . 0.2 110.254 -173.175 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 582' ' ' ILE . . . . . 0.449 HG12 ' HG2' ' A' ' 587' ' ' LYS . 44.6 mt -115.29 123.56 70.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.878 -0.601 . . . . 0.54 111.742 -169.099 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 583' ' ' ILE . . . . . 0.439 HD11 HD11 ' A' ' 540' ' ' LEU . 3.3 mp -121.06 124.25 71.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.946 -0.57 . . . . 0.73 109.982 174.48 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 11.8 m120 60.19 33.9 21.07 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 121.126 0.488 . . . . 1.46 110.861 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 76.86 7.23 86.24 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.779 -0.724 . . . . 0.67 112.141 -179.152 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 586' ' ' GLU . . . . . 0.409 ' O ' ' HA ' ' A' ' 582' ' ' ILE . 45.2 mt-10 -103.24 126.52 50.45 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.776 0.322 . . . . 1.93 110.315 179.749 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 587' ' ' LYS . . . . . 0.449 ' HG2' HG12 ' A' ' 582' ' ' ILE . 98.3 mttt -82.8 115.16 21.58 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.382 -0.372 . . . . 2.12 110.315 179.272 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 588' ' ' LEU . . . . . 0.414 HD13 HD21 ' A' ' 527' ' ' LEU . 41.8 mt -90.13 123.01 33.61 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 109.408 -0.59 . . . . 0.28 109.408 174.31 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 45.9 tp -82.6 108.92 16.34 Favored 'General case' 0 C--N 1.311 -1.079 0 N-CA-C 108.633 -0.877 . . . . 0.38 108.633 174.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 590' ' ' ILE . . . . . . . . . . . . . 47.1 mt -94.44 115.32 32.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 N-CA-C 108.119 -1.067 . . . . 0.17 108.119 177.25 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 591' ' ' ARG . . . . . 0.451 ' HA ' HG13 ' A' ' 573' ' ' VAL . 30.6 ptt180 -140.8 153.72 45.93 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.587 0.588 . . . . 3.0 112.587 -170.494 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 592' ' ' MET . . . . . 0.542 ' HG2' HG11 ' A' ' 573' ' ' VAL . 0.8 OUTLIER -73.16 126.84 30.97 Favored 'General case' 0 CA--C 1.528 0.13 0 CA-C-N 115.226 -0.897 . . . . 0.33 110.156 -172.522 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 6.6 t -89.34 131.56 35.36 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.783 0.325 . . . . 1.04 110.501 178.06 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 17.7 p -94.74 -10.64 30.97 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.254 0.549 . . . . 1.6 110.518 176.244 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -82.13 -19.96 38.98 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.514 -0.766 . . . . 2.94 111.689 -176.256 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -125.75 132.26 52.36 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.093 0.473 . . . . 0.93 110.985 -178.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 51.9 tptt -92.42 -39.43 11.44 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.23 -0.895 . . . . 3.4 110.281 178.089 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -156.76 145.27 19.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.232 -0.894 . . . . 2.02 110.162 -175.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 599' ' ' LEU . . . . . 0.548 HD12 ' HB2' ' A' ' 562' ' ' GLU . 96.7 mt . . . . . 0 C--N 1.323 -0.569 0 CA-C-O 121.118 0.485 . . . . 1.02 110.499 176.638 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 93.0 t . . . . . 0 N--CA 1.449 -0.503 0 CA-C-O 121.18 0.514 . . . . 0.44 109.914 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 522' ' ' VAL . . . . . . . . . . . . . 67.6 t -105.56 133.95 48.44 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.952 0 CA-C-N 115.461 -0.791 . . . . 0.25 109.366 176.297 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 523' ' ' HIS . . . . . 0.476 ' HA ' ' O ' ' A' ' 559' ' ' ALA . 1.0 OUTLIER -107.52 132.88 52.77 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.735 -0.469 . . . . 1.75 109.735 -179.55 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 524' ' ' ILE . . . . . 0.538 HD12 HG13 ' A' ' 537' ' ' VAL . 77.4 mt -110.28 131.46 61.28 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.857 0 CA-C-N 115.69 -0.686 . . . . 0.28 110.427 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 15.0 p -122.37 176.34 5.93 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.707 -0.679 . . . . 1.28 110.474 -178.188 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 19.5 m120 69.06 26.33 5.63 Favored 'General case' 0 N--CA 1.468 0.454 0 O-C-N 123.76 0.663 . . . . 1.22 110.621 -178.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 527' ' ' LEU . . . . . 0.415 ' HA ' ' HD2' ' A' ' 528' ' ' PRO . 79.3 mt -81.36 121.16 79.88 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 115.909 -0.587 . . . . 0.6 111.056 -175.815 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 528' ' ' PRO . . . . . 0.523 ' HD2' ' SG ' ' A' ' 532' ' ' CYS . 36.2 Cg_endo -68.12 131.88 24.75 Favored 'Trans proline' 0 C--O 1.237 0.461 0 C-N-CA 122.287 1.992 . . . . 0.62 111.62 175.595 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -68.4 124.37 23.35 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.895 -0.593 . . . . 2.98 110.93 -177.208 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 84.03 -15.0 40.68 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 121.004 -0.617 . . . . 0.94 113.685 176.03 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 531' ' ' SER . . . . . 0.511 ' HB3' ' OD1' ' A' ' 584' ' ' ASN . 13.1 m -91.2 -35.76 14.33 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 117.324 0.562 . . . . 1.17 111.363 -176.516 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 532' ' ' CYS . . . . . 0.523 ' SG ' ' HD2' ' A' ' 528' ' ' PRO . 86.0 m -86.54 134.32 33.67 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.518 -0.31 . . . . 0.77 110.472 176.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 53.4 p -103.62 167.4 9.82 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.538 -0.542 . . . . 0.54 109.538 177.361 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -54.13 -46.34 72.18 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.229 0.537 . . . . 1.32 110.308 -178.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -61.14 -42.98 99.52 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.015 -0.993 . . . . 1.95 111.485 -176.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 536' ' ' ASP . . . . . 0.421 ' HB3' HD13 ' A' ' 583' ' ' ILE . 66.4 m-20 -59.79 -47.4 85.83 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 120.919 0.39 . . . . 0.52 111.59 -175.361 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 537' ' ' VAL . . . . . 0.538 HG13 HD12 ' A' ' 524' ' ' ILE . 51.6 t -62.61 -40.33 87.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.805 -0.634 . . . . 0.25 110.301 -177.715 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 538' ' ' ILE . . . . . 0.401 ' O ' ' HG ' ' A' ' 542' ' ' LEU . 85.8 mt -66.87 -42.29 88.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.632 -0.713 . . . . 0.24 110.343 177.075 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 539' ' ' ASN . . . . . 0.687 ' O ' ' HD3' ' A' ' 543' ' ' PRO . 11.1 m120 -61.21 -29.21 69.68 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 115.614 -0.721 . . . . 1.07 111.787 -178.798 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 540' ' ' LEU . . . . . 0.483 ' CD1' HD12 ' A' ' 588' ' ' LEU . 27.7 mt -69.0 -36.03 77.36 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.281 0.474 . . . . 0.36 112.281 -176.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -79.4 -33.9 33.88 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.156 -1.021 . . . . 0.22 111.971 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 542' ' ' LEU . . . . . 0.401 ' HG ' ' O ' ' A' ' 538' ' ' ILE . 84.1 mt -53.85 -36.22 38.01 Favored Pre-proline 0 CA--C 1.55 0.963 0 N-CA-C 115.702 1.742 . . . . 0.25 115.702 -174.603 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 543' ' ' PRO . . . . . 0.687 ' HD3' ' O ' ' A' ' 539' ' ' ASN . 89.2 Cg_exo -55.87 -34.1 90.57 Favored 'Trans proline' 0 C--N 1.354 0.849 0 CA-C-N 121.498 1.571 . . . . 0.19 114.587 -176.57 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 544' ' ' PHE . . . . . 0.417 ' HB2' ' CB ' ' A' ' 572' ' ' MET . 70.6 m-85 -111.72 -18.35 12.77 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 113.21 0.819 . . . . 0.35 113.21 177.127 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 545' ' ' GLY . . . . . 0.565 ' CA ' ' HB1' ' A' ' 568' ' ' ALA . . . -134.04 -164.8 10.78 Favored Glycine 0 C--O 1.225 -0.418 0 C-N-CA 120.581 -0.819 . . . . 1.14 113.391 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 546' ' ' LYS . . . . . 0.576 ' O ' ' HA ' ' A' ' 563' ' ' MET . 23.9 tptm -136.7 143.11 43.21 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 110.209 -0.293 . . . . 1.56 110.209 179.286 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 547' ' ' VAL . . . . . 0.515 ' HA ' ' O ' ' A' ' 562' ' ' GLU . 89.7 t -104.91 136.06 40.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 123.4 0.438 . . . . 0.25 111.44 -174.378 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 58.0 p -101.96 -35.26 9.04 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 121.148 0.499 . . . . 0.37 110.841 176.375 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 549' ' ' ASN . . . . . 0.471 HD22 ' N ' ' A' ' 549' ' ' ASN . 0.0 OUTLIER -165.25 168.1 17.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.815 -0.63 . . . . 1.43 109.887 175.751 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 22.3 p90 -141.17 151.1 43.57 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.842 0.354 . . . . 0.47 110.82 -175.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 551' ' ' ILE . . . . . 0.445 HD12 HD22 ' A' ' 599' ' ' LEU . 32.9 mt -128.11 120.93 54.76 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 N-CA-C 108.675 -0.861 . . . . 0.37 108.675 171.452 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 552' ' ' LEU . . . . . . . . . . . . . 71.1 mt -111.56 110.77 21.35 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 116.029 -0.532 . . . . 0.45 111.517 -177.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 62.8 mtt -108.16 85.36 2.1 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.512 0.673 . . . . 1.18 109.715 174.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -67.68 -29.99 69.41 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.289 -0.869 . . . . 1.45 110.297 -178.335 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 67.2 p -63.68 -30.95 71.99 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.545 -0.752 . . . . 1.11 111.417 -179.455 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 71.9 p -101.78 8.67 41.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.783 0.325 . . . . 0.88 111.118 178.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 56.66 42.13 27.39 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.422 -0.808 . . . . 2.35 111.104 179.702 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -142.46 149.2 38.92 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.999 0.428 . . . . 2.07 110.591 -176.353 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 559' ' ' ALA . . . . . 0.476 ' O ' ' HA ' ' A' ' 523' ' ' HIS . . . -130.82 143.85 51.03 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.132 -0.486 . . . . 0.27 110.318 177.527 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 560' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 -124.59 126.15 45.32 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.994 0.426 . . . . 0.33 109.851 177.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 15.5 tp -123.98 127.21 47.59 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.994 -0.548 . . . . 0.22 109.884 -176.306 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 562' ' ' GLU . . . . . 0.515 ' O ' ' HA ' ' A' ' 547' ' ' VAL . 9.8 tp10 -99.78 138.32 37.03 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-O 120.654 0.264 . . . . 1.85 110.964 -174.193 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 563' ' ' MET . . . . . 0.576 ' HA ' ' O ' ' A' ' 546' ' ' LYS . 19.4 mmt -111.61 139.23 47.23 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.417 0.627 . . . . 0.96 111.535 -173.388 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -68.54 -22.34 64.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.087 -0.961 . . . . 0.36 111.44 -178.315 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -132.55 143.38 49.68 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.829 -0.804 . . . . 1.27 108.829 -179.062 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 566' ' ' THR . . . . . 0.531 ' O ' ' HG3' ' A' ' 570' ' ' GLN . 14.0 t -67.27 -37.98 84.34 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.941 -0.392 . . . . 0.52 109.941 178.497 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -66.51 -32.84 74.45 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-N 115.848 -0.615 . . . . 1.91 110.332 177.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 568' ' ' ALA . . . . . 0.565 ' HB1' ' CA ' ' A' ' 545' ' ' GLY . . . -62.21 -44.57 96.28 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.991 -0.549 . . . . 0.28 109.665 177.288 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -68.41 -46.28 70.39 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.654 -0.703 . . . . 0.19 111.546 178.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 570' ' ' GLN . . . . . 0.531 ' HG3' ' O ' ' A' ' 566' ' ' THR . 73.3 mt-30 -67.51 -46.88 71.59 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.51 -0.314 . . . . 1.21 111.258 -176.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -66.28 -39.08 89.16 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 116.424 -0.353 . . . . 0.31 111.43 -175.232 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 572' ' ' MET . . . . . 0.494 ' HG3' ' N ' ' A' ' 573' ' ' VAL . 14.7 ptp -67.59 -45.92 74.1 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 109.902 -0.407 . . . . 0.62 109.902 -179.553 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 573' ' ' VAL . . . . . 0.72 HG13 ' HA ' ' A' ' 591' ' ' ARG . 55.0 t -67.08 -37.5 79.41 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.559 0 CA-C-N 116.188 -0.46 . . . . 0.21 111.549 -177.02 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -59.29 -37.42 77.66 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.608 -0.515 . . . . 1.9 109.608 175.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 575' ' ' TYR . . . . . 0.411 ' HD2' ' CD2' ' A' ' 576' ' ' TYR . 72.6 t80 -69.1 -48.81 61.59 Favored 'General case' 0 C--O 1.216 -0.693 0 CA-C-N 115.906 -0.588 . . . . 0.52 111.276 173.779 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 576' ' ' TYR . . . . . 0.51 ' CB ' ' HB ' ' A' ' 590' ' ' ILE . 19.4 m-85 -75.93 -25.49 56.02 Favored 'General case' 0 C--O 1.222 -0.39 0 N-CA-C 112.873 0.694 . . . . 0.34 112.873 -171.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 2.4 mm100 -70.92 -26.4 63.19 Favored 'General case' 0 C--N 1.318 -0.763 0 O-C-N 121.952 -0.468 . . . . 1.84 110.361 174.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -97.41 -39.89 8.96 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.949 -0.569 . . . . 2.07 111.326 178.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -131.86 83.93 55.62 Favored Pre-proline 0 C--N 1.327 -0.41 0 N-CA-C 109.617 -0.512 . . . . 2.07 109.617 176.361 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_exo -73.24 159.74 46.51 Favored 'Trans proline' 0 CA--C 1.533 0.475 0 C-N-CA 123.5 2.8 . . . . 0.19 113.259 -173.036 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -93.68 153.86 18.13 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 115.883 -0.599 . . . . 0.2 111.35 -172.262 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 582' ' ' ILE . . . . . 0.45 HG12 ' HG2' ' A' ' 587' ' ' LYS . 64.0 mt -115.55 128.01 72.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 111.943 0.349 . . . . 0.54 111.943 -174.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 583' ' ' ILE . . . . . 0.421 HD13 ' HB3' ' A' ' 536' ' ' ASP . 48.2 mt -123.22 121.4 62.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.185 -0.461 . . . . 0.73 110.36 171.456 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 584' ' ' ASN . . . . . 0.511 ' OD1' ' HB3' ' A' ' 531' ' ' SER . 0.8 OUTLIER 59.38 34.51 22.8 Favored 'General case' 0 N--CA 1.469 0.52 0 O-C-N 123.433 0.458 . . . . 1.46 111.501 176.556 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 85.95 -0.23 87.63 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.915 -0.659 . . . . 0.67 113.156 178.192 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 36.6 mm-40 -102.2 127.28 49.21 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 110.002 -0.37 . . . . 1.93 110.002 179.513 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 587' ' ' LYS . . . . . 0.45 ' HG2' HG12 ' A' ' 582' ' ' ILE . 27.6 mtpp -85.02 107.47 17.15 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.251 -0.648 . . . . 2.12 109.251 177.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 588' ' ' LEU . . . . . 0.483 HD12 ' CD1' ' A' ' 540' ' ' LEU . 47.9 mt -88.06 130.74 34.9 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.849 -0.614 . . . . 0.28 110.584 -175.765 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 49.8 tp -83.98 109.23 17.47 Favored 'General case' 0 N--CA 1.44 -0.957 0 N-CA-C 108.863 -0.792 . . . . 0.38 108.863 173.427 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 590' ' ' ILE . . . . . 0.51 ' HB ' ' CB ' ' A' ' 576' ' ' TYR . 43.1 mt -96.88 115.08 35.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 N-CA-C 108.343 -0.984 . . . . 0.17 108.343 178.336 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 591' ' ' ARG . . . . . 0.72 ' HA ' HG13 ' A' ' 573' ' ' VAL . 10.3 ptm180 -145.6 164.6 31.18 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.978 0.418 . . . . 3.0 111.972 -174.274 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 592' ' ' MET . . . . . 0.53 ' HG2' HG11 ' A' ' 573' ' ' VAL . 0.8 OUTLIER -62.46 143.12 57.48 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.739 -0.664 . . . . 0.33 110.161 -174.838 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 24.6 t -87.65 126.77 35.15 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.764 0.316 . . . . 1.04 110.421 179.499 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 12.5 p -94.63 -22.41 18.18 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.242 0.544 . . . . 1.6 110.246 176.388 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 25.8 mtp180 -79.25 -40.77 29.78 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.527 -0.76 . . . . 2.94 111.017 -178.134 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -116.35 131.53 56.92 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.925 0.393 . . . . 0.93 110.519 178.588 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 597' ' ' LYS . . . . . 0.421 ' N ' ' HD3' ' A' ' 597' ' ' LYS . 0.0 OUTLIER -93.2 -27.12 17.06 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.62 -0.718 . . . . 3.4 110.104 175.788 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 598' ' ' GLU . . . . . 0.487 ' HA ' ' OE2' ' A' ' 562' ' ' GLU . 8.0 pt-20 -154.25 145.04 22.49 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.605 -0.725 . . . . 2.02 109.943 -177.775 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 599' ' ' LEU . . . . . 0.445 HD22 HD12 ' A' ' 551' ' ' ILE . 64.1 mt . . . . . 0 C--N 1.325 -0.498 0 CA-C-O 121.001 0.429 . . . . 1.02 110.994 178.428 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 521' ' ' VAL . . . . . 0.463 HG22 ' HG ' ' A' ' 599' ' ' LEU . 97.7 t . . . . . 0 N--CA 1.452 -0.356 0 CA-C-O 121.404 0.621 . . . . 0.44 111.844 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 522' ' ' VAL . . . . . . . . . . . . . 85.0 t -106.15 135.65 43.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 115.008 -0.996 . . . . 0.25 109.699 173.639 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 14.0 t-160 -105.57 126.95 52.73 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.03 0.443 . . . . 1.75 110.088 -177.472 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 524' ' ' ILE . . . . . . . . . . . . . 69.3 mt -105.11 133.66 48.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.756 -0.656 . . . . 0.28 110.416 179.316 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 75.1 m -116.86 175.5 5.55 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.998 -0.546 . . . . 1.28 111.228 -177.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 12.8 m120 70.05 28.68 4.04 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 115.563 -0.744 . . . . 1.22 110.945 177.565 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 527' ' ' LEU . . . . . 0.442 HD21 HD13 ' A' ' 588' ' ' LEU . 81.2 mt -90.59 122.72 66.76 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 115.644 -0.707 . . . . 0.6 111.585 -176.495 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 528' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -68.9 136.18 34.61 Favored 'Trans proline' 0 C--O 1.235 0.362 0 C-N-CA 123.052 2.501 . . . . 0.62 112.391 175.704 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -63.54 124.95 22.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.365 -0.379 . . . . 2.98 111.257 -177.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 76.9 -18.25 4.07 Favored Glycine 0 CA--C 1.52 0.393 0 CA-C-N 116.207 -0.451 . . . . 0.94 114.107 174.244 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 30.5 t -88.2 -11.26 47.26 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 117.192 0.496 . . . . 1.17 110.494 -177.446 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 532' ' ' CYS . . . . . 0.412 ' SG ' ' HB3' ' A' ' 527' ' ' LEU . 60.8 m -85.25 137.16 33.17 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.997 -0.547 . . . . 0.77 110.483 179.083 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 35.0 p -105.96 159.49 16.0 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.59 -0.522 . . . . 0.54 109.59 177.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -63.91 -47.73 79.39 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.083 0.468 . . . . 1.32 110.249 177.467 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -64.82 -44.1 90.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.529 -0.759 . . . . 1.95 112.37 -171.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 536' ' ' ASP . . . . . 0.507 ' O ' ' HG ' ' A' ' 540' ' ' LEU . 24.8 m-20 -65.5 -45.62 82.86 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.662 -0.415 . . . . 0.52 111.25 -175.567 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 95.3 t -62.72 -41.79 93.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.276 -0.42 . . . . 0.25 110.892 -178.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 98.9 mt -66.94 -45.96 86.06 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 CA-C-N 116.363 -0.381 . . . . 0.24 110.869 178.526 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 539' ' ' ASN . . . . . 0.596 ' O ' ' HD3' ' A' ' 543' ' ' PRO . 24.3 m-80 -62.98 -26.34 68.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.059 -0.518 . . . . 1.07 112.267 179.192 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 540' ' ' LEU . . . . . 0.554 HD22 ' HB1' ' A' ' 581' ' ' ALA . 22.2 mt -66.78 -36.73 83.1 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 111.799 0.296 . . . . 0.36 111.799 176.714 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -77.58 -42.1 18.52 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.219 -0.991 . . . . 0.22 112.247 -179.398 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 542' ' ' LEU . . . . . 0.582 ' HA ' ' O ' ' A' ' 545' ' ' GLY . 60.4 mt -47.62 -40.65 30.87 Favored Pre-proline 0 CA--C 1.551 1.002 0 N-CA-C 115.815 1.783 . . . . 0.25 115.815 -173.234 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 543' ' ' PRO . . . . . 0.596 ' HD3' ' O ' ' A' ' 539' ' ' ASN . 67.6 Cg_exo -50.21 -35.65 43.79 Favored 'Trans proline' 0 C--N 1.359 1.13 0 C-N-CA 122.035 1.823 . . . . 0.19 115.611 -173.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -112.13 -19.39 12.3 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.0 -0.68 . . . . 0.35 112.684 177.484 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 545' ' ' GLY . . . . . 0.607 ' HA2' ' HB1' ' A' ' 568' ' ' ALA . . . -144.87 136.41 6.6 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.447 -0.882 . . . . 1.14 113.369 177.316 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 546' ' ' LYS . . . . . 0.442 ' O ' ' HA ' ' A' ' 563' ' ' MET . 43.5 tttp -72.16 141.99 49.08 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.896 0.379 . . . . 1.56 111.033 -179.001 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 547' ' ' VAL . . . . . 0.401 ' HA ' ' O ' ' A' ' 562' ' ' GLU . 95.5 t -100.71 136.3 32.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.646 -0.707 . . . . 0.25 110.477 -178.6 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 39.6 p -107.06 -38.5 6.0 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.664 -0.698 . . . . 0.37 111.382 179.4 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -155.16 167.06 31.61 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.061 -0.518 . . . . 1.43 110.266 -178.022 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 54.1 p90 -144.97 151.05 38.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.999 0.428 . . . . 0.47 111.711 179.526 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 551' ' ' ILE . . . . . 0.422 HD12 HD22 ' A' ' 599' ' ' LEU . 46.2 mt -127.34 120.72 55.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 108.072 -1.084 . . . . 0.37 108.072 167.269 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 552' ' ' LEU . . . . . . . . . . . . . 83.3 mt -113.98 111.22 21.32 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 116.483 -0.326 . . . . 0.45 111.338 -176.555 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 64.9 mtt -108.01 82.59 1.66 Allowed 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.768 -0.827 . . . . 1.18 108.768 173.558 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -70.01 -32.87 71.27 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.396 -0.82 . . . . 1.45 111.207 -174.734 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 65.5 p -68.8 -27.31 65.75 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.005 -0.543 . . . . 1.11 111.766 -178.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 556' ' ' THR . . . . . 0.449 ' O ' ' HG3' ' A' ' 558' ' ' GLN . 78.1 p -103.96 12.45 34.23 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.735 0.302 . . . . 0.88 111.049 -178.681 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 16.5 m120 58.68 42.72 19.9 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 115.688 -0.687 . . . . 2.35 111.928 179.066 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 558' ' ' GLN . . . . . 0.449 ' HG3' ' O ' ' A' ' 556' ' ' THR . 46.1 mt-30 -139.47 148.12 42.28 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.089 0.471 . . . . 2.07 111.386 -176.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -140.72 142.91 34.78 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.699 -0.482 . . . . 0.27 109.699 172.397 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 560' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 -127.32 125.3 40.57 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 108.8 -0.815 . . . . 0.33 108.8 177.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 561' ' ' LEU . . . . . 0.514 ' HB3' ' HE1' ' A' ' 563' ' ' MET . 15.0 tp -122.21 135.7 54.8 Favored 'General case' 0 C--N 1.313 -0.996 0 N-CA-C 109.218 -0.66 . . . . 0.22 109.218 -173.71 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 562' ' ' GLU . . . . . 0.541 ' HB2' HD12 ' A' ' 599' ' ' LEU . 33.2 tt0 -100.22 127.73 46.43 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.989 0.423 . . . . 1.85 110.608 -176.272 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 563' ' ' MET . . . . . 0.757 ' HG2' ' SD ' ' A' ' 572' ' ' MET . 0.6 OUTLIER -104.94 134.24 48.39 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.488 -0.778 . . . . 0.96 110.429 -179.492 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -63.78 -31.97 73.32 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.045 -0.979 . . . . 0.36 111.998 -174.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -124.56 133.86 53.16 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.107 -0.497 . . . . 1.27 109.777 -171.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 3.7 t -61.61 -37.48 84.1 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.833 -0.621 . . . . 0.52 110.646 178.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -66.95 -33.93 76.65 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-O 120.92 0.391 . . . . 1.91 110.137 176.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 568' ' ' ALA . . . . . 0.607 ' HB1' ' HA2' ' A' ' 545' ' ' GLY . . . -65.35 -46.65 79.38 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.77 -0.65 . . . . 0.28 109.994 178.009 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 569' ' ' ALA . . . . . 0.834 ' HA ' ' SD ' ' A' ' 572' ' ' MET . . . -67.0 -45.7 76.78 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.602 -0.726 . . . . 0.19 111.747 -176.705 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 570' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -68.1 -43.85 77.54 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.186 -0.461 . . . . 1.21 111.141 -176.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -69.05 -43.28 74.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.4 -0.364 . . . . 0.31 111.818 -177.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 572' ' ' MET . . . . . 0.834 ' SD ' ' HA ' ' A' ' 569' ' ' ALA . 6.7 ptm -59.73 -44.56 93.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.953 0.406 . . . . 0.62 110.517 -176.108 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 573' ' ' VAL . . . . . 0.471 HG21 ' HE3' ' A' ' 592' ' ' MET . 61.0 t -66.97 -36.36 76.96 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.698 0 CA-C-N 115.976 -0.557 . . . . 0.21 111.008 -178.386 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -59.36 -36.74 76.3 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.887 -0.325 . . . . 1.9 110.213 177.078 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 79.2 t80 -68.02 -49.72 59.76 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.307 -0.406 . . . . 0.52 110.921 172.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 576' ' ' TYR . . . . . 0.416 ' CB ' ' HB ' ' A' ' 590' ' ' ILE . 24.5 m-85 -73.64 -16.3 61.23 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.537 0.569 . . . . 0.34 112.537 -173.772 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 80.9 mm-40 -79.47 -27.0 41.56 Favored 'General case' 0 C--N 1.317 -0.837 0 O-C-N 122.134 -0.354 . . . . 1.84 110.859 174.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -97.06 -39.73 9.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.244 0.545 . . . . 2.07 111.065 177.172 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -130.36 80.22 70.9 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 115.633 -0.712 . . . . 2.07 109.486 177.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 14.4 Cg_exo -70.92 159.09 53.64 Favored 'Trans proline' 0 C--O 1.233 0.259 0 C-N-CA 123.555 2.837 . . . . 0.19 113.255 -172.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 581' ' ' ALA . . . . . 0.554 ' HB1' HD22 ' A' ' 540' ' ' LEU . . . -93.93 154.48 17.67 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.616 -0.72 . . . . 0.2 110.819 -174.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 64.5 mt -119.86 137.52 53.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 112.02 0.378 . . . . 0.54 112.02 -171.7 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 583' ' ' ILE . . . . . 0.514 ' CG1' HD11 ' A' ' 588' ' ' LEU . 29.4 mm -121.97 117.77 53.44 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.216 0 CA-C-N 116.223 -0.444 . . . . 0.73 110.309 172.153 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 57.4 37.24 27.85 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 120.795 0.331 . . . . 1.46 111.515 175.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 84.07 0.73 89.68 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.517 -0.849 . . . . 0.67 112.818 179.547 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -101.03 126.11 47.69 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.591 -0.522 . . . . 1.93 109.591 179.29 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 27.3 mtpp -83.29 107.47 15.84 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.128 0.49 . . . . 2.12 110.228 -177.563 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 588' ' ' LEU . . . . . 0.514 HD11 ' CG1' ' A' ' 583' ' ' ILE . 31.8 mt -84.29 139.46 32.3 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.702 -0.681 . . . . 0.28 110.611 -176.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 31.3 tp -95.36 110.08 22.15 Favored 'General case' 0 C--N 1.31 -1.12 0 N-CA-C 108.692 -0.855 . . . . 0.38 108.692 171.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 590' ' ' ILE . . . . . 0.416 ' HB ' ' CB ' ' A' ' 576' ' ' TYR . 38.0 mt -95.96 115.26 34.69 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 N-CA-C 108.139 -1.06 . . . . 0.17 108.139 178.186 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 591' ' ' ARG . . . . . 0.443 ' HA ' HG13 ' A' ' 573' ' ' VAL . 13.6 ptm180 -135.53 160.25 39.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.018 0.437 . . . . 3.0 111.786 -170.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 592' ' ' MET . . . . . 0.471 ' HE3' HG21 ' A' ' 573' ' ' VAL . 0.2 OUTLIER -64.47 126.76 28.85 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.128 -0.693 . . . . 0.33 109.128 177.611 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 32.9 t -75.04 127.0 32.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.074 0.464 . . . . 1.04 111.062 -174.094 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 13.3 t -98.53 4.05 48.18 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.68 -0.691 . . . . 1.6 109.671 175.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 35.2 mmt180 -103.78 -39.36 6.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.834 -0.621 . . . . 2.94 110.873 -177.379 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 65.2 m-85 -124.8 135.4 52.91 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.342 -0.39 . . . . 0.93 110.695 -177.161 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -89.85 -41.43 11.82 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.231 -0.655 . . . . 3.4 109.231 172.38 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -143.45 155.59 44.41 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.049 -0.978 . . . . 2.02 109.218 176.487 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 599' ' ' LEU . . . . . 0.541 HD12 ' HB2' ' A' ' 562' ' ' GLU . 93.4 mt . . . . . 0 C--N 1.321 -0.662 0 CA-C-O 121.11 0.481 . . . . 1.02 110.548 -179.196 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 521' ' ' VAL . . . . . 0.428 ' HB ' ' O ' ' A' ' 596' ' ' TYR . 78.3 t . . . . . 0 N--CA 1.451 -0.382 0 CA-C-O 121.21 0.529 . . . . 0.44 110.814 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 522' ' ' VAL . . . . . . . . . . . . . 49.4 t -101.96 135.42 38.88 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-N 115.447 -0.797 . . . . 0.25 109.495 175.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 20.3 t-80 -105.35 116.67 32.34 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.048 0.451 . . . . 1.75 110.544 -176.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 524' ' ' ILE . . . . . 0.481 HD12 HG13 ' A' ' 537' ' ' VAL . 73.6 mt -108.64 123.73 64.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 115.483 -0.78 . . . . 0.28 109.773 177.808 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 525' ' ' CYS . . . . . 0.428 ' SG ' ' HG2' ' A' ' 558' ' ' GLN . 23.7 t -121.22 176.32 5.67 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.207 -0.451 . . . . 1.28 110.075 -177.611 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 68.1 30.81 5.7 Favored 'General case' 0 C--N 1.331 -0.229 0 O-C-N 123.775 0.672 . . . . 1.22 110.599 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 527' ' ' LEU . . . . . 0.433 HD21 HD13 ' A' ' 588' ' ' LEU . 87.4 mt -86.34 120.24 72.07 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 116.086 -0.506 . . . . 0.6 110.763 -178.306 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 528' ' ' PRO . . . . . 0.527 ' HD2' ' SG ' ' A' ' 532' ' ' CYS . 37.3 Cg_endo -69.74 130.45 19.39 Favored 'Trans proline' 0 C--O 1.237 0.453 0 C-N-CA 122.019 1.813 . . . . 0.62 111.766 175.344 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.57 139.34 53.7 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.178 -0.465 . . . . 2.98 110.797 177.799 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 82.17 -18.7 12.41 Favored Glycine 0 N--CA 1.449 -0.462 0 CA-C-N 115.795 -0.639 . . . . 0.94 113.262 177.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 531' ' ' SER . . . . . 0.518 ' HB3' HD22 ' A' ' 584' ' ' ASN . 17.2 m -99.6 -38.32 8.79 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 117.181 0.49 . . . . 1.17 110.676 179.038 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 532' ' ' CYS . . . . . 0.527 ' SG ' ' HD2' ' A' ' 528' ' ' PRO . 71.6 m -89.17 126.26 35.4 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.283 -0.417 . . . . 0.77 110.556 174.427 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 39.2 p -105.9 170.88 7.65 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.702 -0.481 . . . . 0.54 109.702 176.367 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 534' ' ' GLU . . . . . 0.519 ' HG2' ' CD1' ' A' ' 552' ' ' LEU . 34.1 mt-10 -53.07 -46.38 68.56 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.096 0.474 . . . . 1.32 110.468 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -62.98 -42.65 99.9 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.176 -0.92 . . . . 1.95 111.986 -174.337 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 536' ' ' ASP . . . . . 0.567 ' O ' ' HG ' ' A' ' 540' ' ' LEU . 48.2 m-20 -59.65 -46.06 90.15 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 120.845 0.355 . . . . 0.52 111.126 -175.411 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 537' ' ' VAL . . . . . 0.481 HG13 HD12 ' A' ' 524' ' ' ILE . 60.7 t -61.89 -42.78 95.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.812 -0.631 . . . . 0.25 110.183 -178.18 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 538' ' ' ILE . . . . . 0.444 ' O ' ' HG ' ' A' ' 542' ' ' LEU . 85.1 mt -66.1 -45.63 89.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.758 -0.655 . . . . 0.24 110.588 178.119 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -61.23 -28.37 69.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.611 -0.722 . . . . 1.07 111.85 -178.072 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 540' ' ' LEU . . . . . 0.567 ' HG ' ' O ' ' A' ' 536' ' ' ASP . 52.9 mt -73.84 -33.38 64.09 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 111.612 0.227 . . . . 0.36 111.612 179.125 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -78.9 -40.4 17.34 Favored Glycine 0 N--CA 1.453 -0.173 0 C-N-CA 120.366 -0.921 . . . . 0.22 112.565 -177.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 542' ' ' LEU . . . . . 0.591 ' HA ' ' O ' ' A' ' 545' ' ' GLY . 87.7 mt -47.65 -46.29 60.5 Favored Pre-proline 0 CA--C 1.546 0.81 0 N-CA-C 114.706 1.372 . . . . 0.25 114.706 -174.504 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -46.9 -34.48 16.33 Favored 'Trans proline' 0 C--N 1.361 1.186 0 C-N-CA 122.612 2.208 . . . . 0.19 115.59 -172.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 544' ' ' PHE . . . . . 0.513 ' HB2' ' CB ' ' A' ' 572' ' ' MET . 74.1 m-85 -111.83 -18.15 12.77 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.158 -0.617 . . . . 0.35 112.633 175.141 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 545' ' ' GLY . . . . . 0.591 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . -150.45 133.98 4.57 Favored Glycine 0 C--O 1.225 -0.435 0 C-N-CA 120.65 -0.786 . . . . 1.14 113.243 179.02 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -70.56 137.97 50.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.976 0.417 . . . . 1.56 111.386 179.376 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 91.1 t -94.69 136.27 26.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.276 -0.875 . . . . 0.25 110.89 -177.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 33.6 p -104.99 -42.06 5.43 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.043 -0.526 . . . . 0.37 112.133 178.181 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 67.6 m-80 -149.48 165.79 31.09 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.699 -0.482 . . . . 1.43 109.699 -177.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 33.3 p90 -148.96 149.48 31.25 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.11 0.481 . . . . 0.47 111.082 178.427 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 551' ' ' ILE . . . . . 0.471 HD12 HD22 ' A' ' 599' ' ' LEU . 15.7 mt -128.96 124.54 61.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 109.021 -0.733 . . . . 0.37 109.021 173.703 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 552' ' ' LEU . . . . . 0.519 ' CD1' ' HG2' ' A' ' 534' ' ' GLU . 85.1 mt -110.32 111.01 22.03 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 116.283 -0.417 . . . . 0.45 111.245 -176.282 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 65.1 mtt -107.58 84.31 1.94 Allowed 'General case' 0 N--CA 1.446 -0.64 0 CA-C-O 121.876 0.846 . . . . 1.18 108.741 173.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 30.1 mmtp -67.79 -29.2 68.33 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.488 -1.233 . . . . 1.45 110.508 -176.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 66.0 p -55.41 -32.46 62.68 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.519 -0.764 . . . . 1.11 111.049 176.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 556' ' ' THR . . . . . 0.501 ' O ' ' HG3' ' A' ' 558' ' ' GLN . 71.2 p -104.83 4.41 32.12 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.332 -0.394 . . . . 0.88 111.307 -179.313 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 18.2 m120 57.11 41.31 27.48 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 115.492 -0.776 . . . . 2.35 111.147 -176.136 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 558' ' ' GLN . . . . . 0.501 ' HG3' ' O ' ' A' ' 556' ' ' THR . 75.2 mt-30 -139.48 149.88 44.5 Favored 'General case' 0 N--CA 1.443 -0.819 0 CA-C-O 121.122 0.486 . . . . 2.07 111.184 -175.026 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -130.68 145.94 52.04 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.732 -0.667 . . . . 0.27 110.534 178.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 560' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 -116.45 125.25 51.72 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 109.037 -0.727 . . . . 0.33 109.037 175.475 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 14.8 tp -122.55 121.76 37.28 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 116.226 -0.443 . . . . 0.22 109.877 -173.315 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 562' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -99.64 137.82 37.59 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.732 0.301 . . . . 1.85 110.624 -174.605 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 563' ' ' MET . . . . . . . . . . . . . 17.5 mmt -113.75 145.02 42.0 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.929 -0.578 . . . . 0.96 111.266 -174.436 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -64.78 -21.57 66.8 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.029 -0.987 . . . . 0.36 112.179 -176.159 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -134.23 145.03 48.78 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.057 -0.519 . . . . 1.27 110.371 -176.559 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 5.9 t -63.11 -36.99 85.45 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.458 -0.792 . . . . 0.52 109.988 174.441 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -66.87 -37.49 84.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.085 -0.507 . . . . 1.91 111.021 175.608 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 568' ' ' ALA . . . . . 0.549 ' HB1' ' CA ' ' A' ' 545' ' ' GLY . . . -61.8 -46.09 91.03 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.063 -0.517 . . . . 0.28 110.404 -177.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 569' ' ' ALA . . . . . 0.461 ' HB1' ' HE1' ' A' ' 592' ' ' MET . . . -67.98 -45.81 73.11 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.627 -0.715 . . . . 0.19 111.56 -179.446 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 570' ' ' GLN . . . . . 0.504 ' O ' ' HG2' ' A' ' 574' ' ' GLN . 49.9 mt-30 -68.16 -45.84 72.41 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.476 -0.329 . . . . 1.21 111.541 -177.19 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -62.34 -42.96 99.81 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.66 -0.246 . . . . 0.31 111.223 -176.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 572' ' ' MET . . . . . 0.513 ' CB ' ' HB2' ' A' ' 544' ' ' PHE . 14.4 ptp -64.49 -45.15 88.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.39 -0.368 . . . . 0.62 110.23 -179.577 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 573' ' ' VAL . . . . . 0.736 HG13 ' HA ' ' A' ' 591' ' ' ARG . 61.6 t -66.91 -37.82 80.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 116.108 -0.497 . . . . 0.21 111.555 -176.816 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 574' ' ' GLN . . . . . 0.504 ' HG2' ' O ' ' A' ' 570' ' ' GLN . 83.4 mm-40 -59.44 -37.17 77.43 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.606 -0.516 . . . . 1.9 109.606 177.569 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 59.3 t80 -69.41 -50.14 48.7 Favored 'General case' 0 C--O 1.219 -0.521 0 CA-C-N 116.113 -0.494 . . . . 0.52 111.041 173.654 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 576' ' ' TYR . . . . . 0.457 ' CB ' ' HB ' ' A' ' 590' ' ' ILE . 19.8 m-85 -74.26 -16.76 60.94 Favored 'General case' 0 C--O 1.222 -0.378 0 N-CA-C 113.001 0.741 . . . . 0.34 113.001 -171.762 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 90.8 mt-30 -75.79 -28.92 58.57 Favored 'General case' 0 C--N 1.317 -0.822 0 C-N-CA 120.042 -0.663 . . . . 1.84 110.756 173.629 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -97.62 -38.31 9.58 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.041 0.448 . . . . 2.07 111.236 177.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 26.8 mmmt -129.47 81.46 69.9 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-O 121.265 0.555 . . . . 2.07 110.167 174.453 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -69.71 159.4 53.58 Favored 'Trans proline' 0 C--O 1.235 0.341 0 C-N-CA 123.532 2.822 . . . . 0.19 112.632 -176.228 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -92.76 147.6 22.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.972 -0.558 . . . . 0.2 110.553 -175.608 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 582' ' ' ILE . . . . . 0.422 HG12 ' HG2' ' A' ' 587' ' ' LYS . 54.3 mt -116.19 131.76 67.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 116.115 -0.493 . . . . 0.54 111.556 -170.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 583' ' ' ILE . . . . . 0.454 HD12 HD11 ' A' ' 588' ' ' LEU . 47.5 mt -121.23 117.33 52.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.149 -0.478 . . . . 0.73 110.131 172.482 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 584' ' ' ASN . . . . . 0.518 HD22 ' HB3' ' A' ' 531' ' ' SER . 93.7 m-20 54.98 42.27 31.19 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.864 -0.607 . . . . 1.46 111.798 176.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 84.86 -2.64 88.09 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.708 -0.758 . . . . 0.67 113.205 176.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 -101.13 125.64 47.76 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.698 -0.482 . . . . 1.93 109.698 179.361 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 587' ' ' LYS . . . . . 0.422 ' HG2' HG12 ' A' ' 582' ' ' ILE . 53.3 mtpt -86.48 110.13 19.55 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.779 -0.452 . . . . 2.12 109.779 179.534 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 588' ' ' LEU . . . . . 0.454 HD11 HD12 ' A' ' 583' ' ' ILE . 41.0 mt -84.9 125.44 32.64 Favored 'General case' 0 CA--C 1.504 -0.812 0 N-CA-C 109.706 -0.479 . . . . 0.28 109.706 179.579 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 55.8 tp -82.33 107.86 15.32 Favored 'General case' 0 N--CA 1.434 -1.24 0 N-CA-C 107.768 -1.197 . . . . 0.38 107.768 172.087 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 590' ' ' ILE . . . . . 0.457 ' HB ' ' CB ' ' A' ' 576' ' ' TYR . 64.9 mt -95.42 115.07 33.45 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.908 0 N-CA-C 108.081 -1.081 . . . . 0.17 108.081 179.018 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 591' ' ' ARG . . . . . 0.736 ' HA ' HG13 ' A' ' 573' ' ' VAL . 14.8 ptt180 -141.95 162.24 35.98 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.022 0.439 . . . . 3.0 112.029 -171.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 592' ' ' MET . . . . . 0.617 ' HG2' HG11 ' A' ' 573' ' ' VAL . 0.1 OUTLIER -65.93 132.84 49.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.72 -0.673 . . . . 0.33 110.283 -176.804 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 32.1 t -80.93 127.11 32.2 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.022 0.439 . . . . 1.04 110.55 -178.427 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 8.8 t -97.63 5.7 49.03 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.53 0.681 . . . . 1.6 109.547 174.649 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 92.0 mtt180 -96.63 -41.15 8.66 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.639 -0.709 . . . . 2.94 110.165 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 596' ' ' TYR . . . . . 0.428 ' O ' ' HB ' ' A' ' 521' ' ' VAL . 33.4 m-85 -131.93 134.47 45.69 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.078 -0.51 . . . . 0.93 110.304 179.601 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -90.54 -27.21 19.32 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.355 -0.609 . . . . 3.4 109.355 172.293 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -149.44 150.92 33.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.385 -0.825 . . . . 2.02 109.893 177.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 599' ' ' LEU . . . . . 0.471 HD22 HD12 ' A' ' 551' ' ' ILE . 96.1 mt . . . . . 0 C--N 1.322 -0.624 0 CA-C-N 116.096 -0.502 . . . . 1.02 109.877 179.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 521' ' ' VAL . . . . . 0.425 HG22 ' HG ' ' A' ' 599' ' ' LEU . 94.7 t . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 121.375 0.607 . . . . 0.44 111.086 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 522' ' ' VAL . . . . . . . . . . . . . 96.8 t -106.85 134.72 47.68 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 CA-C-N 115.352 -0.84 . . . . 0.25 109.452 174.279 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 523' ' ' HIS . . . . . 0.525 ' HA ' ' O ' ' A' ' 559' ' ' ALA . 5.8 p-80 -110.14 134.26 52.38 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.259 0.552 . . . . 1.75 110.101 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 524' ' ' ILE . . . . . 0.521 HD12 HG13 ' A' ' 537' ' ' VAL . 97.2 mt -111.06 137.05 45.18 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-N 115.59 -0.732 . . . . 0.28 110.779 -176.154 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 62.3 m -117.8 175.13 5.8 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.016 -0.538 . . . . 1.28 111.234 -175.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 17.5 m120 68.87 26.29 5.92 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.31 -0.859 . . . . 1.22 111.098 176.55 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 527' ' ' LEU . . . . . 0.444 HD21 HD13 ' A' ' 588' ' ' LEU . 79.2 mt -87.9 119.42 70.49 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 116.152 -0.476 . . . . 0.6 111.423 -176.648 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 528' ' ' PRO . . . . . 0.504 ' HD2' ' SG ' ' A' ' 532' ' ' CYS . 36.7 Cg_endo -69.69 130.09 18.8 Favored 'Trans proline' 0 N--CA 1.46 -0.499 0 C-N-CA 121.7 1.6 . . . . 0.62 111.453 172.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -69.71 139.17 53.38 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.172 -0.467 . . . . 2.98 111.031 177.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 80.47 -17.95 9.5 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 121.019 -0.61 . . . . 0.94 113.647 175.392 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 14.0 t -98.72 -34.23 10.61 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.936 0.398 . . . . 1.17 110.698 -178.139 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 532' ' ' CYS . . . . . 0.504 ' SG ' ' HD2' ' A' ' 528' ' ' PRO . 59.3 m -80.35 142.09 34.78 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.35 -0.386 . . . . 0.77 110.217 178.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 52.7 p -105.42 165.91 10.8 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.862 -0.422 . . . . 0.54 109.862 176.544 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -62.93 -36.89 84.9 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.066 0.46 . . . . 1.32 109.785 177.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -62.33 -44.13 97.22 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.472 -0.786 . . . . 1.95 111.865 179.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 536' ' ' ASP . . . . . 0.538 ' O ' ' HG ' ' A' ' 540' ' ' LEU . 65.2 m-20 -61.53 -48.08 82.67 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 120.773 0.321 . . . . 0.52 111.489 -173.534 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 537' ' ' VAL . . . . . 0.521 HG13 HD12 ' A' ' 524' ' ' ILE . 86.1 t -65.0 -42.14 93.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.992 -0.549 . . . . 0.25 110.967 -176.047 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 83.2 mt -66.17 -43.75 91.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 121.23 0.538 . . . . 0.24 110.123 177.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 539' ' ' ASN . . . . . 0.467 ' O ' ' HD3' ' A' ' 543' ' ' PRO . 76.4 m-20 -62.71 -26.14 68.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.485 -0.779 . . . . 1.07 112.11 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 540' ' ' LEU . . . . . 0.538 ' HG ' ' O ' ' A' ' 536' ' ' ASP . 29.8 mt -69.91 -39.55 76.12 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.902 -0.319 . . . . 0.36 111.655 177.039 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -77.14 -41.14 22.74 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.306 -0.949 . . . . 0.22 112.449 -177.128 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 542' ' ' LEU . . . . . 0.512 ' HA ' ' O ' ' A' ' 545' ' ' GLY . 69.4 mt -48.36 -44.5 64.33 Favored Pre-proline 0 CA--C 1.549 0.906 0 N-CA-C 115.114 1.524 . . . . 0.25 115.114 -173.443 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 543' ' ' PRO . . . . . 0.467 ' HD3' ' O ' ' A' ' 539' ' ' ASN . 75.8 Cg_exo -51.16 -34.47 48.24 Favored 'Trans proline' 0 C--N 1.359 1.103 0 C-N-CA 122.558 2.172 . . . . 0.19 115.77 -173.017 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 544' ' ' PHE . . . . . 0.487 ' HB2' ' CB ' ' A' ' 572' ' ' MET . 96.1 m-85 -111.1 -18.41 13.02 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.038 -0.665 . . . . 0.35 112.379 177.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 545' ' ' GLY . . . . . 0.523 ' CA ' ' HB1' ' A' ' 568' ' ' ALA . . . -148.81 136.99 6.1 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.779 -0.724 . . . . 1.14 112.952 178.032 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 546' ' ' LYS . . . . . 0.41 ' O ' ' HA ' ' A' ' 563' ' ' MET . 23.6 tptm -69.09 143.36 54.22 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.744 0.307 . . . . 1.56 111.143 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 88.9 t -105.07 135.22 44.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.83 -0.623 . . . . 0.25 110.907 -179.102 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 28.4 p -104.69 -40.24 6.06 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.982 -0.554 . . . . 0.37 112.046 178.295 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 67.6 m-80 -150.1 167.06 27.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.379 -0.373 . . . . 1.43 110.144 -178.064 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 38.9 p90 -148.82 150.48 33.1 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.883 0.373 . . . . 0.47 111.152 179.4 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 551' ' ' ILE . . . . . 0.433 HD12 HD22 ' A' ' 599' ' ' LEU . 29.2 mt -134.24 121.49 37.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 108.596 -0.89 . . . . 0.37 108.596 170.838 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 552' ' ' LEU . . . . . . . . . . . . . 83.0 mt -112.55 110.07 20.01 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 116.332 -0.395 . . . . 0.45 111.608 -174.413 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 63.8 mtt -109.72 82.41 1.59 Allowed 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.891 -0.781 . . . . 1.18 108.891 171.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 40.2 mttp -69.69 -30.69 68.4 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.425 -0.807 . . . . 1.45 110.903 -171.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 64.5 p -65.21 -22.57 66.91 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.796 -0.638 . . . . 1.11 111.602 -179.223 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 66.4 p -99.48 9.97 42.25 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 111.802 0.297 . . . . 0.88 111.802 178.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 56.87 41.79 27.41 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 121.507 0.67 . . . . 2.35 110.19 -178.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 21.4 mm-40 -146.69 149.37 33.32 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.91 -0.586 . . . . 2.07 110.425 -175.31 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 559' ' ' ALA . . . . . 0.525 ' O ' ' HA ' ' A' ' 523' ' ' HIS . . . -139.39 143.93 37.92 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 116.175 -0.466 . . . . 0.27 109.95 174.237 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 560' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -118.5 125.79 50.63 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 109.468 -0.567 . . . . 0.33 109.468 178.251 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 561' ' ' LEU . . . . . 0.502 ' HB3' ' HE1' ' A' ' 563' ' ' MET . 15.8 tp -125.75 131.21 52.56 Favored 'General case' 0 C--N 1.314 -0.952 0 N-CA-C 109.322 -0.621 . . . . 0.22 109.322 -175.748 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 562' ' ' GLU . . . . . 0.425 ' HB2' HD12 ' A' ' 599' ' ' LEU . 42.4 tt0 -100.48 134.08 43.96 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.887 0.375 . . . . 1.85 110.453 -176.519 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 563' ' ' MET . . . . . 0.613 ' HE2' ' SD ' ' A' ' 572' ' ' MET . 1.1 mpt? -109.55 139.61 44.35 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 121.505 0.669 . . . . 0.96 110.95 -177.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -60.97 -41.18 95.88 Favored 'General case' 0 C--O 1.22 -0.458 0 CA-C-N 114.139 -1.391 . . . . 0.36 111.93 -175.208 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 66.1 m-85 -115.22 147.13 40.73 Favored 'General case' 0 C--N 1.317 -0.827 0 C-N-CA 120.818 -0.353 . . . . 1.27 110.478 -175.706 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 6.2 t -58.39 -39.23 79.09 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.872 -0.604 . . . . 0.52 110.636 176.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -67.54 -33.61 75.4 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-N 116.091 -0.504 . . . . 1.91 111.198 177.172 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 568' ' ' ALA . . . . . 0.523 ' HB1' ' CA ' ' A' ' 545' ' ' GLY . . . -62.17 -46.05 90.68 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.206 -0.452 . . . . 0.28 110.764 -175.503 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 569' ' ' ALA . . . . . 0.494 ' HB2' ' HB2' ' A' ' 563' ' ' MET . . . -68.31 -47.23 68.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.19 111.584 -178.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 570' ' ' GLN . . . . . 0.571 ' O ' ' HG2' ' A' ' 574' ' ' GLN . 48.7 mt-30 -69.35 -45.65 68.91 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.139 -0.482 . . . . 1.21 111.588 -175.127 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -62.25 -44.14 97.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.341 -0.39 . . . . 0.31 111.431 -176.406 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 572' ' ' MET . . . . . 0.613 ' SD ' ' HE2' ' A' ' 563' ' ' MET . 14.0 ptp -63.37 -44.46 94.73 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.848 0.356 . . . . 0.62 110.463 -178.454 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 573' ' ' VAL . . . . . 0.635 HG13 ' HA ' ' A' ' 591' ' ' ARG . 70.0 t -67.27 -37.61 79.42 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.58 0 CA-C-N 116.313 -0.403 . . . . 0.21 111.762 -175.601 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 574' ' ' GLN . . . . . 0.571 ' HG2' ' O ' ' A' ' 570' ' ' GLN . 23.8 mm-40 -60.21 -35.84 76.32 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.401 -0.592 . . . . 1.9 109.401 178.02 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -67.7 -50.04 59.58 Favored 'General case' 0 C--O 1.217 -0.638 0 CA-C-N 115.736 -0.666 . . . . 0.52 110.607 172.421 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 576' ' ' TYR . . . . . 0.497 ' CB ' ' HB ' ' A' ' 590' ' ' ILE . 29.7 m-85 -74.14 -16.56 61.0 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 113.038 0.755 . . . . 0.34 113.038 -173.146 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 577' ' ' GLN . . . . . 0.47 ' NE2' ' HB3' ' A' ' 591' ' ' ARG . 25.5 mm-40 -75.3 -30.3 60.33 Favored 'General case' 0 C--N 1.317 -0.806 0 O-C-N 121.905 -0.497 . . . . 1.84 110.546 174.74 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 -97.83 -39.31 9.08 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.117 0.484 . . . . 2.07 110.731 178.013 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 26.6 mtpp -128.65 82.47 68.59 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 115.674 -0.693 . . . . 2.07 109.932 176.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -70.49 160.16 50.45 Favored 'Trans proline' 0 CA--C 1.532 0.39 0 C-N-CA 123.599 2.866 . . . . 0.19 112.696 -176.178 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 581' ' ' ALA . . . . . 0.454 ' HB1' HD22 ' A' ' 540' ' ' LEU . . . -92.51 153.27 19.18 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.203 -0.453 . . . . 0.2 110.803 -173.685 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 67.2 mt -112.67 127.84 69.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 112.648 0.61 . . . . 0.54 112.648 -170.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 583' ' ' ILE . . . . . 0.495 HD12 HD11 ' A' ' 588' ' ' LEU . 17.9 mt -123.64 129.68 74.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.552 -0.749 . . . . 0.73 110.303 171.154 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 13.8 m120 59.11 33.84 23.05 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 116.032 -0.531 . . . . 1.46 111.093 177.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 76.82 8.83 86.65 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.885 -0.674 . . . . 0.67 112.906 179.646 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -117.36 130.87 56.79 Favored 'General case' 0 N--CA 1.441 -0.881 0 CA-C-O 120.859 0.362 . . . . 1.93 110.682 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -75.62 119.82 20.18 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.058 -0.519 . . . . 2.12 110.54 178.644 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 588' ' ' LEU . . . . . 0.495 HD11 HD12 ' A' ' 583' ' ' ILE . 52.6 mt -93.72 135.63 34.83 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.992 -0.549 . . . . 0.28 110.004 178.391 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 28.3 tp -84.73 108.91 17.67 Favored 'General case' 0 C--N 1.313 -1.006 0 N-CA-C 109.126 -0.694 . . . . 0.38 109.126 175.623 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 590' ' ' ILE . . . . . 0.497 ' HB ' ' CB ' ' A' ' 576' ' ' TYR . 44.5 mt -97.56 115.97 38.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 108.444 -0.947 . . . . 0.17 108.444 179.092 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 591' ' ' ARG . . . . . 0.635 ' HA ' HG13 ' A' ' 573' ' ' VAL . 20.1 ptt180 -140.89 160.36 40.23 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.862 0.69 . . . . 3.0 112.862 -172.823 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 592' ' ' MET . . . . . 0.578 ' HG2' HG11 ' A' ' 573' ' ' VAL . 0.1 OUTLIER -63.39 135.03 56.7 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.399 -0.818 . . . . 0.33 110.384 -175.275 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 15.7 t -88.25 128.39 35.47 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.92 0.39 . . . . 1.04 110.568 178.039 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 7.1 m -98.63 -20.94 16.71 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.895 -0.593 . . . . 1.6 109.701 175.191 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -74.45 -34.39 63.17 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 115.533 -0.758 . . . . 2.94 111.121 -177.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -120.49 134.1 55.32 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.992 0.425 . . . . 0.93 110.714 176.506 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -90.5 -39.87 12.33 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.75 -0.659 . . . . 3.4 109.309 173.577 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -147.44 149.86 33.52 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.031 -0.986 . . . . 2.02 109.21 178.705 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 599' ' ' LEU . . . . . 0.433 HD22 HD12 ' A' ' 551' ' ' ILE . 94.0 mt . . . . . 0 C--N 1.321 -0.637 0 CA-C-O 121.26 0.553 . . . . 1.02 110.334 179.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 76.6 t . . . . . 0 N--CA 1.447 -0.591 0 CA-C-O 121.026 0.441 . . . . 0.44 110.056 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 522' ' ' VAL . . . . . 0.442 HG22 ' HE3' ' A' ' 592' ' ' MET . 48.1 t -101.61 134.05 43.19 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.047 0 N-CA-C 109.136 -0.69 . . . . 0.25 109.136 177.138 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 3.7 p-80 -111.26 139.58 46.53 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 120.545 -0.462 . . . . 1.75 109.801 -178.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 524' ' ' ILE . . . . . 0.521 HD12 HG13 ' A' ' 537' ' ' VAL . 90.2 mt -115.59 127.84 73.03 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.976 0 CA-C-N 115.775 -0.648 . . . . 0.28 110.178 -179.817 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 6.3 p -115.9 175.27 5.61 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.716 -0.675 . . . . 1.28 110.366 -178.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 40.2 m-80 69.17 27.97 5.08 Favored 'General case' 0 N--CA 1.466 0.367 0 O-C-N 123.707 0.629 . . . . 1.22 110.796 -178.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 527' ' ' LEU . . . . . 0.409 HD21 HD13 ' A' ' 588' ' ' LEU . 80.4 mt -86.71 122.15 71.72 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 115.997 -0.547 . . . . 0.6 111.437 -177.083 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 528' ' ' PRO . . . . . 0.43 ' HD2' ' SG ' ' A' ' 532' ' ' CYS . 40.9 Cg_endo -69.38 130.75 20.37 Favored 'Trans proline' 0 N--CA 1.46 -0.481 0 C-N-CA 122.195 1.93 . . . . 0.62 112.093 173.543 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 529' ' ' GLU . . . . . 0.458 ' HG3' ' ND2' ' A' ' 557' ' ' ASN . 35.9 mt-10 -68.62 125.59 27.01 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.047 -0.524 . . . . 2.98 111.028 176.657 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 92.32 -18.37 54.61 Favored Glycine 0 N--CA 1.45 -0.415 0 CA-C-N 116.02 -0.536 . . . . 0.94 113.619 174.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 17.4 m -94.84 -35.34 12.11 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 117.42 0.61 . . . . 1.17 111.329 -177.2 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 532' ' ' CYS . . . . . 0.43 ' SG ' ' HD2' ' A' ' 528' ' ' PRO . 84.5 m -86.03 133.3 33.91 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.727 0.299 . . . . 0.77 110.827 179.026 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 44.0 p -105.66 170.54 7.83 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 109.844 -0.428 . . . . 0.54 109.844 176.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -56.41 -46.62 80.09 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.892 0.377 . . . . 1.32 110.457 179.385 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -59.8 -44.06 94.16 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.646 -0.706 . . . . 1.95 111.622 -176.629 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 536' ' ' ASP . . . . . 0.578 ' O ' ' HG ' ' A' ' 540' ' ' LEU . 39.8 m-20 -60.05 -47.61 85.13 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-O 120.789 0.328 . . . . 0.52 110.967 -176.17 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 537' ' ' VAL . . . . . 0.521 HG13 HD12 ' A' ' 524' ' ' ILE . 60.1 t -66.56 -45.01 89.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.677 -0.692 . . . . 0.25 110.857 -176.225 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 85.6 mt -65.29 -41.97 92.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.156 -0.475 . . . . 0.24 110.67 179.101 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 539' ' ' ASN . . . . . 0.538 ' O ' ' HD3' ' A' ' 543' ' ' PRO . 8.5 m120 -62.57 -28.01 69.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.903 -0.59 . . . . 1.07 111.752 179.473 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 540' ' ' LEU . . . . . 0.578 ' HG ' ' O ' ' A' ' 536' ' ' ASP . 25.2 mt -68.31 -39.4 82.04 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 111.991 0.367 . . . . 0.36 111.991 -179.43 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -78.45 -35.13 33.88 Favored Glycine 0 N--CA 1.453 -0.197 0 C-N-CA 120.288 -0.958 . . . . 0.22 112.579 -177.253 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 542' ' ' LEU . . . . . . . . . . . . . 39.8 mt -50.36 -47.73 82.47 Favored Pre-proline 0 CA--C 1.548 0.882 0 N-CA-C 115.352 1.612 . . . . 0.25 115.352 -174.098 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 543' ' ' PRO . . . . . 0.538 ' HD3' ' O ' ' A' ' 539' ' ' ASN . 86.0 Cg_exo -51.11 -33.18 42.49 Favored 'Trans proline' 0 C--N 1.357 0.986 0 C-N-CA 122.463 2.109 . . . . 0.19 116.555 -168.671 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 59.4 m-85 -109.2 -18.27 13.66 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 118.878 0.763 . . . . 0.35 112.878 -179.164 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 545' ' ' GLY . . . . . 0.478 ' HA3' ' HE2' ' A' ' 572' ' ' MET . . . -125.04 -142.34 5.84 Favored Glycine 0 C--N 1.318 -0.443 0 C-N-CA 121.207 -0.52 . . . . 1.14 112.657 176.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 546' ' ' LYS . . . . . 0.423 ' O ' ' HA ' ' A' ' 563' ' ' MET . 56.0 tptt -152.77 129.85 11.12 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.624 -0.288 . . . . 1.56 110.475 174.106 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 95.4 t -91.61 135.01 28.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.978 -0.556 . . . . 0.25 111.706 -176.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 27.6 p -108.91 -41.03 4.85 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.954 -0.566 . . . . 0.37 112.289 175.468 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 66.5 m-80 -148.0 166.33 28.04 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.767 -0.457 . . . . 1.43 109.767 -177.156 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 28.1 p90 -148.44 150.82 34.15 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.935 0.398 . . . . 0.47 111.408 -179.053 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 551' ' ' ILE . . . . . 0.483 HD12 HD22 ' A' ' 599' ' ' LEU . 29.1 mt -134.23 121.85 38.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 108.784 -0.821 . . . . 0.37 108.784 171.053 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 552' ' ' LEU . . . . . . . . . . . . . 79.8 mt -112.95 110.38 20.41 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.226 -0.443 . . . . 0.45 111.396 -175.434 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 65.2 mtt -107.37 83.22 1.78 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.598 0.713 . . . . 1.18 109.105 175.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -69.97 -29.66 66.83 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.102 -0.954 . . . . 1.45 110.735 -177.409 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 67.8 p -59.4 -27.13 65.73 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.204 -0.453 . . . . 1.11 111.37 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 556' ' ' THR . . . . . 0.481 ' O ' ' HG2' ' A' ' 558' ' ' GLN . 69.9 p -106.65 11.63 30.19 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.471 -0.331 . . . . 0.88 111.129 178.81 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 557' ' ' ASN . . . . . 0.458 ' ND2' ' HG3' ' A' ' 529' ' ' GLU . 15.8 m120 57.04 41.34 27.66 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 115.743 -0.662 . . . . 2.35 110.898 -177.542 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 558' ' ' GLN . . . . . 0.481 ' HG2' ' O ' ' A' ' 556' ' ' THR . 12.5 mm100 -137.1 157.05 47.57 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.168 0.509 . . . . 2.07 111.625 -172.367 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -143.67 145.6 32.57 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.976 -0.556 . . . . 0.27 110.647 176.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 560' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -128.41 128.29 44.19 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.847 -0.615 . . . . 0.33 109.418 178.149 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 14.2 tp -126.33 128.49 47.17 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.34 -0.391 . . . . 0.22 110.278 -173.547 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 562' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -99.87 138.0 37.56 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-O 120.735 0.303 . . . . 1.85 110.435 -175.172 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 563' ' ' MET . . . . . 0.423 ' HA ' ' O ' ' A' ' 546' ' ' LYS . 19.8 mmt -114.24 144.33 43.39 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.963 -0.562 . . . . 0.96 111.261 -174.571 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -64.42 -26.75 68.59 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-N 115.139 -0.937 . . . . 0.36 111.735 -177.408 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 565' ' ' TYR . . . . . 0.447 ' HB3' ' OE2' ' A' ' 567' ' ' GLU . 75.0 m-85 -132.41 138.49 47.69 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.547 -0.752 . . . . 1.27 109.095 -177.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 566' ' ' THR . . . . . 0.56 ' O ' ' HG3' ' A' ' 570' ' ' GLN . 7.1 t -66.03 -37.48 85.98 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.042 -0.526 . . . . 0.52 109.785 179.066 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 567' ' ' GLU . . . . . 0.447 ' OE2' ' HB3' ' A' ' 565' ' ' TYR . 1.4 pm0 -66.88 -33.02 74.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.115 -0.493 . . . . 1.91 110.643 176.3 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 568' ' ' ALA . . . . . 0.411 ' HB2' ' HB2' ' A' ' 565' ' ' TYR . . . -64.03 -42.49 97.06 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.089 0.471 . . . . 0.28 109.886 176.703 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -67.44 -45.76 75.1 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.667 -0.697 . . . . 0.19 111.029 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 570' ' ' GLN . . . . . 0.56 ' HG3' ' O ' ' A' ' 566' ' ' THR . 72.0 mt-30 -65.29 -45.61 83.72 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.306 -0.406 . . . . 1.21 110.789 -178.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -62.3 -45.58 92.6 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-N 116.029 -0.532 . . . . 0.31 111.617 -176.041 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 572' ' ' MET . . . . . 0.478 ' HE2' ' HA3' ' A' ' 545' ' ' GLY . 17.7 ptp -63.42 -42.78 98.72 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.067 0.461 . . . . 0.62 109.996 -178.726 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 573' ' ' VAL . . . . . 0.721 HG13 ' HA ' ' A' ' 591' ' ' ARG . 54.0 t -66.57 -35.95 76.1 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.763 0 CA-C-N 115.607 -0.724 . . . . 0.21 111.294 -178.05 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 574' ' ' GLN . . . . . 0.541 ' HG3' ' O ' ' A' ' 570' ' ' GLN . 29.2 mt-30 -58.57 -37.98 76.89 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.557 -0.534 . . . . 1.9 109.557 177.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 575' ' ' TYR . . . . . 0.473 ' HD2' ' CD2' ' A' ' 576' ' ' TYR . 89.7 t80 -69.55 -50.24 46.74 Favored 'General case' 0 C--O 1.221 -0.439 0 CA-C-N 116.051 -0.522 . . . . 0.52 111.201 173.462 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 576' ' ' TYR . . . . . 0.54 ' CB ' ' HB ' ' A' ' 590' ' ' ILE . 21.5 m-85 -73.67 -17.38 61.15 Favored 'General case' 0 N--CA 1.467 0.375 0 N-CA-C 112.729 0.64 . . . . 0.34 112.729 -171.692 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -77.23 -29.85 54.28 Favored 'General case' 0 C--N 1.318 -0.764 0 C-N-CA 120.577 -0.449 . . . . 1.84 110.913 174.506 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -96.76 -39.21 9.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.933 0.397 . . . . 2.07 111.094 179.282 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -130.47 78.06 74.85 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-N 115.925 -0.579 . . . . 2.07 109.862 178.695 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_exo -69.83 160.45 49.65 Favored 'Trans proline' 0 CA--C 1.532 0.399 0 C-N-CA 123.886 3.057 . . . . 0.19 113.249 -172.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 581' ' ' ALA . . . . . 0.477 ' HB1' HD22 ' A' ' 540' ' ' LEU . . . -93.27 153.3 18.66 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.819 -0.628 . . . . 0.2 111.064 -173.786 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 582' ' ' ILE . . . . . 0.444 HG12 ' HG2' ' A' ' 587' ' ' LYS . 57.2 mt -114.5 132.76 62.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.058 0.456 . . . . 0.54 112.223 -171.546 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 583' ' ' ILE . . . . . 0.415 HD12 HD11 ' A' ' 588' ' ' LEU . 30.5 mt -126.27 120.66 57.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 115.919 -0.582 . . . . 0.73 110.262 172.545 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 584' ' ' ASN . . . . . 0.509 HD22 ' N ' ' A' ' 584' ' ' ASN . 0.8 OUTLIER 59.29 35.13 23.24 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 116.125 -0.489 . . . . 1.46 111.302 177.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 83.13 3.34 90.34 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.802 -0.714 . . . . 0.67 113.027 178.151 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -107.47 127.01 53.22 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.922 0.391 . . . . 1.93 110.44 179.614 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 587' ' ' LYS . . . . . 0.444 ' HG2' HG12 ' A' ' 582' ' ' ILE . 52.9 mtmt -81.32 107.58 14.22 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.9 -0.591 . . . . 2.12 109.897 -179.018 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 588' ' ' LEU . . . . . 0.415 HD11 HD12 ' A' ' 583' ' ' ILE . 65.5 mt -86.89 129.98 34.65 Favored 'General case' 0 CA--C 1.507 -0.709 0 CA-C-N 115.887 -0.597 . . . . 0.28 110.594 -177.586 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 39.8 tp -83.5 109.14 17.13 Favored 'General case' 0 C--N 1.311 -1.072 0 N-CA-C 109.024 -0.732 . . . . 0.38 109.024 174.03 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 590' ' ' ILE . . . . . 0.54 ' HB ' ' CB ' ' A' ' 576' ' ' TYR . 44.9 mt -96.74 115.09 35.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 107.894 -1.15 . . . . 0.17 107.894 177.519 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 591' ' ' ARG . . . . . 0.721 ' HA ' HG13 ' A' ' 573' ' ' VAL . 8.1 ptp180 -146.02 165.69 28.28 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 112.668 0.618 . . . . 3.0 112.668 -174.592 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 592' ' ' MET . . . . . 0.599 ' HG2' HG11 ' A' ' 573' ' ' VAL . 0.1 OUTLIER -62.53 140.83 58.64 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.176 -0.92 . . . . 0.33 110.42 -175.555 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 86.0 p -83.26 128.88 34.87 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.641 -0.424 . . . . 1.04 110.086 176.114 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 6.8 p -95.56 31.89 1.92 Allowed 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.278 0.561 . . . . 1.6 110.095 175.018 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -137.47 -40.65 0.57 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.565 -0.743 . . . . 2.94 110.957 -176.298 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 83.3 m-85 -110.16 135.22 51.29 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.963 0.411 . . . . 0.93 111.521 -173.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 18.2 tppt? -90.3 -40.9 11.85 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.045 -0.724 . . . . 3.4 109.045 169.501 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -152.41 156.09 38.83 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.216 -0.902 . . . . 2.02 109.471 178.094 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 599' ' ' LEU . . . . . 0.483 HD22 HD12 ' A' ' 551' ' ' ILE . 97.1 mt . . . . . 0 C--N 1.323 -0.568 0 CA-C-O 121.196 0.522 . . . . 1.02 110.588 -178.387 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 521' ' ' VAL . . . . . 0.487 HG22 ' HG ' ' A' ' 599' ' ' LEU . 59.5 t . . . . . 0 N--CA 1.449 -0.508 0 CA-C-O 121.516 0.674 . . . . 0.44 111.814 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 522' ' ' VAL . . . . . 0.446 HG22 ' HE3' ' A' ' 592' ' ' MET . 93.4 t -105.19 134.14 47.47 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-N 115.099 -0.955 . . . . 0.25 109.414 172.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 7.2 p-80 -106.67 136.13 47.01 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.614 -0.513 . . . . 1.75 109.614 179.355 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 524' ' ' ILE . . . . . 0.532 HD12 HG13 ' A' ' 537' ' ' VAL . 77.6 mt -109.65 127.68 66.27 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.987 0 CA-C-N 116.131 -0.486 . . . . 0.28 109.976 178.525 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 8.3 p -120.73 171.65 8.44 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.715 -0.675 . . . . 1.28 110.906 -175.089 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 67.79 33.94 4.59 Favored 'General case' 0 N--CA 1.464 0.239 0 O-C-N 123.915 0.759 . . . . 1.22 110.277 -177.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 84.0 mt -88.01 120.36 70.7 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-N 115.871 -0.604 . . . . 0.6 111.301 -176.629 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 528' ' ' PRO . . . . . 0.512 ' HD2' ' SG ' ' A' ' 532' ' ' CYS . 35.8 Cg_endo -68.58 131.96 24.18 Favored 'Trans proline' 0 C--O 1.237 0.462 0 C-N-CA 122.361 2.041 . . . . 0.62 111.97 172.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -68.86 131.0 44.41 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.003 -0.544 . . . . 2.98 111.295 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 83.78 -18.7 19.2 Favored Glycine 0 N--CA 1.45 -0.392 0 CA-C-N 116.084 -0.507 . . . . 0.94 113.41 175.713 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 531' ' ' SER . . . . . 0.405 ' HB3' ' ND2' ' A' ' 584' ' ' ASN . 12.9 m -92.14 -36.21 13.43 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.99 0.395 . . . . 1.17 110.907 -178.459 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 532' ' ' CYS . . . . . 0.512 ' SG ' ' HD2' ' A' ' 528' ' ' PRO . 67.0 m -86.31 129.55 34.81 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.309 -0.405 . . . . 0.77 110.358 178.485 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 29.5 p -104.19 167.32 9.83 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.744 -0.465 . . . . 0.54 109.744 -178.569 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -59.76 -44.4 93.87 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.558 -0.534 . . . . 1.32 109.558 178.274 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 49.5 m-80 -61.86 -44.19 97.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.427 -0.806 . . . . 1.95 111.623 -177.164 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 536' ' ' ASP . . . . . 0.54 ' O ' ' HG ' ' A' ' 540' ' ' LEU . 34.4 m-20 -66.72 -44.62 81.13 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 120.56 0.219 . . . . 0.52 111.506 -175.45 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 537' ' ' VAL . . . . . 0.532 HG13 HD12 ' A' ' 524' ' ' ILE . 94.7 t -61.68 -41.92 92.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.002 0.429 . . . . 0.25 110.394 -178.131 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 86.1 mt -67.3 -40.95 85.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.89 -0.596 . . . . 0.24 110.659 177.061 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 539' ' ' ASN . . . . . 0.505 ' O ' ' HD3' ' A' ' 543' ' ' PRO . 6.2 m120 -61.96 -30.56 71.01 Favored 'General case' 0 C--O 1.224 -0.251 0 CA-C-N 115.929 -0.578 . . . . 1.07 111.884 -178.093 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 540' ' ' LEU . . . . . 0.54 ' HG ' ' O ' ' A' ' 536' ' ' ASP . 41.3 mt -69.42 -39.04 78.13 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 111.667 0.247 . . . . 0.36 111.667 -176.844 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -76.37 -36.8 38.08 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.475 -0.869 . . . . 0.22 112.425 -177.662 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 542' ' ' LEU . . . . . 0.525 ' HA ' ' O ' ' A' ' 545' ' ' GLY . 82.3 mt -48.04 -47.32 65.12 Favored Pre-proline 0 CA--C 1.545 0.776 0 N-CA-C 114.92 1.452 . . . . 0.25 114.92 -173.584 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 543' ' ' PRO . . . . . 0.505 ' HD3' ' O ' ' A' ' 539' ' ' ASN . 65.1 Cg_exo -49.08 -34.71 30.79 Favored 'Trans proline' 0 C--N 1.357 0.995 0 C-N-CA 122.346 2.03 . . . . 0.19 115.579 -171.653 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 544' ' ' PHE . . . . . 0.457 ' HB2' ' CB ' ' A' ' 572' ' ' MET . 87.0 m-85 -110.43 -17.52 13.44 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.141 -0.624 . . . . 0.35 112.677 178.43 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 545' ' ' GLY . . . . . 0.525 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . -149.84 138.96 7.07 Favored Glycine 0 C--O 1.226 -0.401 0 C-N-CA 120.754 -0.736 . . . . 1.14 112.984 177.086 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 546' ' ' LYS . . . . . 0.477 ' O ' ' HA ' ' A' ' 563' ' ' MET . 23.3 tptm -77.17 143.83 38.8 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.85 0.357 . . . . 1.56 111.379 -178.645 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 547' ' ' VAL . . . . . 0.567 ' HA ' ' O ' ' A' ' 562' ' ' GLU . 99.5 t -98.71 136.31 30.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.407 -0.815 . . . . 0.25 110.646 179.116 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 47.5 p -102.89 -38.21 7.49 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.016 0.436 . . . . 0.37 110.56 178.65 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -159.72 167.66 27.79 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 108.968 -0.752 . . . . 1.43 108.968 178.376 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 39.4 p90 -142.53 151.61 41.79 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.679 -0.408 . . . . 0.47 111.569 -178.352 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 551' ' ' ILE . . . . . 0.467 HD12 HD22 ' A' ' 599' ' ' LEU . 54.9 mt -127.3 122.73 60.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 108.999 -0.741 . . . . 0.37 108.999 173.067 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 552' ' ' LEU . . . . . . . . . . . . . 41.7 mt -112.05 111.65 22.72 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 116.128 -0.487 . . . . 0.45 111.43 -175.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 67.0 mtt -108.52 86.21 2.25 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.505 0.669 . . . . 1.18 110.187 177.306 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -67.31 -30.19 69.97 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.155 -0.93 . . . . 1.45 110.308 -179.306 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 59.5 p -63.57 -27.44 69.25 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.66 -0.7 . . . . 1.11 111.907 -179.581 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 76.0 p -104.21 8.53 36.21 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.836 -0.346 . . . . 0.88 111.057 178.635 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 12.3 m120 57.24 42.21 25.66 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 115.747 -0.66 . . . . 2.35 110.889 -179.287 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -142.31 153.81 44.17 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.888 0.375 . . . . 2.07 110.977 -174.217 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -130.49 142.97 50.48 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.108 -0.496 . . . . 0.27 110.125 176.074 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 560' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -126.87 128.37 46.4 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.916 0.388 . . . . 0.33 109.991 -179.091 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 561' ' ' LEU . . . . . 0.546 ' HB3' ' HE1' ' A' ' 563' ' ' MET . 15.2 tp -125.51 134.85 51.87 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.869 -0.605 . . . . 0.22 109.888 -173.055 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 562' ' ' GLU . . . . . 0.577 ' HB2' HD12 ' A' ' 599' ' ' LEU . 10.7 tp10 -101.01 137.87 38.82 Favored 'General case' 0 N--CA 1.465 0.298 0 O-C-N 123.077 0.235 . . . . 1.85 111.026 -176.207 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 563' ' ' MET . . . . . 0.551 ' HE2' ' SD ' ' A' ' 572' ' ' MET . 0.8 OUTLIER -113.82 139.35 49.22 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.943 0.877 . . . . 0.96 111.998 -175.916 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -62.7 -31.84 72.82 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-N 114.295 -1.321 . . . . 0.36 112.691 -173.582 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -130.18 154.63 47.34 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.423 -0.353 . . . . 1.27 110.106 -179.142 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 9.3 t -61.98 -37.11 83.57 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.131 0.491 . . . . 0.52 110.251 176.641 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -66.57 -34.55 78.16 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.773 -0.649 . . . . 1.91 110.687 177.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 568' ' ' ALA . . . . . 0.47 ' HB1' ' CA ' ' A' ' 545' ' ' GLY . . . -62.4 -46.11 90.09 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.905 -0.588 . . . . 0.28 110.858 -178.065 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 569' ' ' ALA . . . . . 0.43 ' HB2' ' HB2' ' A' ' 563' ' ' MET . . . -68.28 -47.28 68.11 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.951 -0.568 . . . . 0.19 111.647 -178.216 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 570' ' ' GLN . . . . . 0.554 ' O ' ' HG3' ' A' ' 574' ' ' GLN . 48.3 mt-30 -69.76 -46.28 66.17 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.3 -0.409 . . . . 1.21 111.516 -176.144 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -62.0 -41.11 97.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.353 -0.385 . . . . 0.31 111.548 -174.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 572' ' ' MET . . . . . 0.551 ' SD ' ' HE2' ' A' ' 563' ' ' MET . 15.4 ptp -66.43 -46.24 77.13 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.836 -0.345 . . . . 0.62 110.808 -177.214 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 573' ' ' VAL . . . . . 0.582 HG11 ' HG2' ' A' ' 592' ' ' MET . 90.5 t -66.81 -36.9 78.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.337 -0.392 . . . . 0.21 111.412 -175.047 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 574' ' ' GLN . . . . . 0.554 ' HG3' ' O ' ' A' ' 570' ' ' GLN . 27.4 mt-30 -59.42 -37.32 77.74 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.653 -0.499 . . . . 1.9 109.653 178.128 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 72.5 t80 -69.78 -49.89 48.51 Favored 'General case' 0 C--O 1.222 -0.395 0 CA-C-N 116.062 -0.517 . . . . 0.52 110.955 172.615 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 576' ' ' TYR . . . . . 0.496 ' CE1' ' HB2' ' A' ' 572' ' ' MET . 21.2 m-85 -71.99 -16.54 62.07 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 112.691 0.626 . . . . 0.34 112.691 -172.652 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -76.68 -30.8 56.89 Favored 'General case' 0 C--N 1.318 -0.797 0 C-N-CA 120.562 -0.455 . . . . 1.84 110.438 174.259 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -95.86 -39.73 9.67 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.007 -0.542 . . . . 2.07 110.669 -178.583 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -129.97 78.78 74.33 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 115.74 -0.664 . . . . 2.07 109.554 176.234 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -68.16 159.63 52.31 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 123.381 2.721 . . . . 0.19 112.596 -174.524 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 581' ' ' ALA . . . . . 0.454 ' HB1' HD22 ' A' ' 540' ' ' LEU . . . -91.88 152.88 19.88 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.007 -0.542 . . . . 0.2 110.487 -173.217 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 582' ' ' ILE . . . . . 0.46 HG12 ' HG2' ' A' ' 587' ' ' LYS . 57.2 mt -114.55 127.81 71.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 121.143 0.497 . . . . 0.54 112.334 -169.603 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 583' ' ' ILE . . . . . 0.435 HD12 HD11 ' A' ' 588' ' ' LEU . 36.9 mt -122.45 124.99 72.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.739 -0.664 . . . . 0.73 109.938 171.312 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 584' ' ' ASN . . . . . 0.405 ' ND2' ' HB3' ' A' ' 531' ' ' SER . 4.8 m-20 59.3 33.91 22.73 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.213 -0.449 . . . . 1.46 111.562 178.791 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 80.74 3.9 90.33 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.988 -0.625 . . . . 0.67 112.456 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -106.84 127.45 53.42 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.87 0.367 . . . . 1.93 110.774 -178.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 587' ' ' LYS . . . . . 0.46 ' HG2' HG12 ' A' ' 582' ' ' ILE . 30.4 mtpp -80.35 109.6 15.0 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.183 -0.462 . . . . 2.12 109.989 179.331 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 588' ' ' LEU . . . . . 0.435 HD11 HD12 ' A' ' 583' ' ' ILE . 69.4 mt -86.14 127.45 34.71 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.926 -0.579 . . . . 0.28 110.301 179.604 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 589' ' ' LEU . . . . . 0.434 ' HG ' ' HG3' ' A' ' 591' ' ' ARG . 26.4 tp -83.6 109.31 17.31 Favored 'General case' 0 N--CA 1.438 -1.052 0 N-CA-C 108.714 -0.847 . . . . 0.38 108.714 176.209 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 590' ' ' ILE . . . . . 0.412 ' O ' HG13 ' A' ' 573' ' ' VAL . 52.5 mt -95.36 116.6 37.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 108.519 -0.919 . . . . 0.17 108.519 -179.823 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 591' ' ' ARG . . . . . 0.434 ' HG3' ' HG ' ' A' ' 589' ' ' LEU . 29.1 mtp85 -129.78 157.69 41.48 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 113.014 0.746 . . . . 3.0 113.014 -170.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 592' ' ' MET . . . . . 0.582 ' HG2' HG11 ' A' ' 573' ' ' VAL . 0.1 OUTLIER -66.63 135.39 54.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.278 -0.873 . . . . 0.33 110.02 179.283 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 43.2 t -87.63 126.14 34.78 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.932 -0.307 . . . . 1.04 110.269 176.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 12.6 t -99.53 -15.36 18.67 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.149 0.5 . . . . 1.6 109.78 172.357 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 70.5 mtp180 -76.82 -39.14 52.39 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.823 -0.626 . . . . 2.94 110.643 -179.274 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -110.29 132.93 53.74 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.933 -0.395 . . . . 0.93 109.933 177.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -91.69 -26.04 18.83 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.148 -0.478 . . . . 3.4 109.745 172.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -159.98 143.65 14.21 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 108.806 -0.813 . . . . 2.02 108.806 -174.67 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 599' ' ' LEU . . . . . 0.577 HD12 ' HB2' ' A' ' 562' ' ' GLU . 42.8 mt . . . . . 0 C--N 1.322 -0.6 0 N-CA-C 109.86 -0.422 . . . . 1.02 109.86 175.532 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 521' ' ' VAL . . . . . 0.425 HG23 ' HA ' ' A' ' 598' ' ' GLU . 90.2 t . . . . . 0 N--CA 1.451 -0.403 0 CA-C-O 121.735 0.779 . . . . 0.44 111.999 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 522' ' ' VAL . . . . . . . . . . . . . 88.0 t -104.63 136.47 38.02 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 114.496 -1.229 . . . . 0.25 109.048 171.695 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 4.6 p-80 -104.26 137.51 42.07 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.594 -0.521 . . . . 1.75 109.594 -177.652 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 524' ' ' ILE . . . . . 0.51 HD12 HG13 ' A' ' 537' ' ' VAL . 78.9 mt -117.11 126.96 74.77 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.898 0 CA-C-N 115.913 -0.585 . . . . 0.28 109.976 178.768 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 525' ' ' CYS . . . . . 0.404 ' SG ' ' HB3' ' A' ' 589' ' ' LEU . 7.7 p -122.25 174.84 6.73 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.637 -0.71 . . . . 1.28 110.79 -174.728 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 66.08 26.8 10.68 Favored 'General case' 0 N--CA 1.466 0.355 0 O-C-N 123.679 0.612 . . . . 1.22 110.879 -178.669 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 81.0 mt -78.2 121.28 83.68 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 116.086 -0.506 . . . . 0.6 111.166 -176.754 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 528' ' ' PRO . . . . . 0.4 ' HG2' ' HB2' ' A' ' 531' ' ' SER . 29.8 Cg_endo -67.41 131.37 24.59 Favored 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 121.998 1.798 . . . . 0.62 111.873 176.473 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -69.13 132.13 46.08 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.567 -0.742 . . . . 2.98 111.434 -179.069 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 80.37 -18.54 8.22 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 121.186 -0.531 . . . . 0.94 113.273 176.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 531' ' ' SER . . . . . 0.4 ' HB2' ' HG2' ' A' ' 528' ' ' PRO . 3.8 m -86.88 -34.54 19.4 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.018 0.437 . . . . 1.17 110.689 -178.693 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 35.5 m -85.81 130.0 34.67 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.93 -0.577 . . . . 0.77 111.364 -176.057 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 69.2 p -105.93 170.73 7.73 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.906 -0.776 . . . . 0.54 108.906 171.862 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -56.17 -43.73 78.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.022 0.439 . . . . 1.32 110.187 179.73 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -59.51 -43.59 93.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.413 -0.812 . . . . 1.95 112.174 -176.546 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 536' ' ' ASP . . . . . 0.72 ' O ' ' HG ' ' A' ' 540' ' ' LEU . 42.3 m-20 -61.55 -48.12 82.44 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-O 120.884 0.373 . . . . 0.52 110.917 -174.998 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 537' ' ' VAL . . . . . 0.51 HG13 HD12 ' A' ' 524' ' ' ILE . 80.0 t -63.91 -43.99 97.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.8 -0.636 . . . . 0.25 110.827 -176.329 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 87.9 mt -67.04 -46.04 85.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.142 0.496 . . . . 0.24 110.673 179.222 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 539' ' ' ASN . . . . . 0.513 ' O ' ' HD3' ' A' ' 543' ' ' PRO . 6.2 m-20 -63.28 -27.01 69.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.582 -0.735 . . . . 1.07 112.519 -177.22 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 540' ' ' LEU . . . . . 0.72 ' HG ' ' O ' ' A' ' 536' ' ' ASP . 46.0 mt -71.19 -39.16 71.97 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.936 -0.305 . . . . 0.36 111.648 178.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -79.46 -35.42 29.39 Favored Glycine 0 CA--C 1.516 0.149 0 C-N-CA 120.496 -0.859 . . . . 0.22 112.352 -178.255 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 542' ' ' LEU . . . . . 0.464 ' HA ' ' O ' ' A' ' 545' ' ' GLY . 29.3 mt -47.89 -46.84 63.87 Favored Pre-proline 0 CA--C 1.544 0.72 0 N-CA-C 115.184 1.549 . . . . 0.25 115.184 -175.899 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 543' ' ' PRO . . . . . 0.513 ' HD3' ' O ' ' A' ' 539' ' ' ASN . 64.1 Cg_exo -49.09 -34.09 28.98 Favored 'Trans proline' 0 C--N 1.357 0.993 0 C-N-CA 122.323 2.015 . . . . 0.19 115.632 -171.219 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -110.0 -17.52 13.58 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.9 0.704 . . . . 0.35 112.9 179.888 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 545' ' ' GLY . . . . . 0.464 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . -149.53 143.39 10.76 Favored Glycine 0 CA--C 1.519 0.308 0 C-N-CA 120.921 -0.657 . . . . 1.14 112.537 176.193 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 24.0 tptm -76.32 137.77 40.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.258 0.551 . . . . 1.56 111.458 -177.603 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 91.1 t -97.24 137.68 24.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.203 -0.908 . . . . 0.25 110.796 179.639 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 548' ' ' THR . . . . . 0.466 ' OG1' ' HG3' ' A' ' 562' ' ' GLU . 54.9 p -107.98 -39.69 5.45 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.824 0.345 . . . . 0.37 111.089 176.247 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 33.3 m-80 -146.88 166.93 25.23 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 110.221 -0.288 . . . . 1.43 110.221 -173.35 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 52.6 p90 -149.92 150.65 32.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.98 0.419 . . . . 0.47 111.442 178.019 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 551' ' ' ILE . . . . . 0.42 ' CD1' HD22 ' A' ' 599' ' ' LEU . 25.7 mt -128.66 123.2 58.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 108.617 -0.883 . . . . 0.37 108.617 170.45 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 552' ' ' LEU . . . . . . . . . . . . . 86.8 mt -111.98 113.2 25.36 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.409 -0.36 . . . . 0.45 111.522 -175.234 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 26.2 mmt -108.11 84.94 2.03 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.409 -0.589 . . . . 1.18 109.409 173.414 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -68.51 -32.63 72.73 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.466 -0.788 . . . . 1.45 111.379 -175.129 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 64.2 p -65.48 -22.73 66.77 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.176 -0.465 . . . . 1.11 111.706 -178.464 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 556' ' ' THR . . . . . 0.496 ' O ' ' HG2' ' A' ' 558' ' ' GLN . 69.2 p -107.59 4.91 26.47 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.529 -0.305 . . . . 0.88 111.499 -179.884 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 16.3 m120 56.72 41.93 27.55 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 115.826 -0.625 . . . . 2.35 111.088 -177.629 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 558' ' ' GLN . . . . . 0.496 ' HG2' ' O ' ' A' ' 556' ' ' THR . 20.8 mm-40 -139.76 148.57 42.44 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.313 -0.403 . . . . 2.07 110.275 -175.147 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -140.31 145.36 37.12 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.997 0.427 . . . . 0.27 110.855 179.144 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 560' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -122.06 126.14 47.8 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.547 -0.751 . . . . 0.33 109.181 178.06 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 561' ' ' LEU . . . . . 0.491 ' HB3' ' HE1' ' A' ' 563' ' ' MET . 15.5 tp -121.13 132.82 55.09 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 116.1 -0.5 . . . . 0.22 109.681 -173.479 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 562' ' ' GLU . . . . . 0.467 ' HB2' HD12 ' A' ' 599' ' ' LEU . 10.7 tp10 -101.82 134.48 44.92 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.825 0.345 . . . . 1.85 111.07 -174.932 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 563' ' ' MET . . . . . 0.598 ' HE2' ' SD ' ' A' ' 572' ' ' MET . 0.4 OUTLIER -112.47 144.84 41.25 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.704 0.764 . . . . 0.96 111.498 -174.779 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -65.36 -28.6 69.39 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 114.751 -1.113 . . . . 0.36 112.171 -175.703 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 34.6 m-85 -136.59 146.35 45.98 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.902 -0.407 . . . . 1.27 109.902 -175.022 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 5.7 t -61.05 -38.59 86.71 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.166 -0.47 . . . . 0.52 110.167 176.5 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -66.47 -36.0 81.66 Favored 'General case' 0 C--O 1.226 -0.153 0 CA-C-N 116.189 -0.46 . . . . 1.91 110.805 177.891 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 568' ' ' ALA . . . . . . . . . . . . . . . -63.09 -45.9 89.89 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.273 -0.421 . . . . 0.28 110.76 179.569 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 569' ' ' ALA . . . . . 0.464 ' O ' ' HG2' ' A' ' 572' ' ' MET . . . -67.73 -46.89 70.85 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.881 -0.6 . . . . 0.19 111.625 -177.302 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 570' ' ' GLN . . . . . 0.595 ' O ' ' HG2' ' A' ' 574' ' ' GLN . 10.8 pt20 -69.08 -44.18 73.08 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.306 -0.406 . . . . 1.21 111.133 -176.722 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -62.15 -40.71 96.89 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.386 -0.37 . . . . 0.31 111.526 -177.438 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 572' ' ' MET . . . . . 0.598 ' SD ' ' HE2' ' A' ' 563' ' ' MET . 13.1 ptp -65.83 -44.44 85.56 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 110.026 -0.361 . . . . 0.62 110.026 -179.55 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 573' ' ' VAL . . . . . 0.689 HG13 ' HA ' ' A' ' 591' ' ' ARG . 78.7 t -66.49 -36.3 76.98 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.603 0 CA-C-N 116.098 -0.501 . . . . 0.21 111.123 -177.74 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 574' ' ' GLN . . . . . 0.595 ' HG2' ' O ' ' A' ' 570' ' ' GLN . 29.5 mm-40 -58.23 -38.15 76.28 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.596 -0.52 . . . . 1.9 109.596 177.653 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -69.65 -50.39 44.58 Favored 'General case' 0 C--O 1.219 -0.528 0 CA-C-N 116.121 -0.49 . . . . 0.52 111.053 173.605 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 576' ' ' TYR . . . . . 0.419 ' CB ' ' HB ' ' A' ' 590' ' ' ILE . 20.8 m-85 -72.2 -16.62 61.95 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 112.771 0.656 . . . . 0.34 112.771 -172.389 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -71.82 -34.3 69.22 Favored 'General case' 0 C--N 1.318 -0.778 0 C-N-CA 120.727 -0.389 . . . . 1.84 110.673 173.24 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -96.92 -39.67 9.27 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.103 0.478 . . . . 2.07 110.835 179.696 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -126.48 79.77 70.47 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 115.647 -0.706 . . . . 2.07 110.017 177.838 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -70.15 161.35 46.33 Favored 'Trans proline' 0 C--O 1.235 0.327 0 C-N-CA 123.726 2.951 . . . . 0.19 112.483 -176.238 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 581' ' ' ALA . . . . . 0.47 ' HB1' HD22 ' A' ' 540' ' ' LEU . . . -92.27 152.69 19.69 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.199 -0.455 . . . . 0.2 110.522 -175.76 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 66.7 mt -120.55 133.99 65.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-O 120.94 0.4 . . . . 0.54 112.026 -170.537 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 583' ' ' ILE . . . . . 0.548 HD12 HD11 ' A' ' 588' ' ' LEU . 39.8 mt -121.53 116.36 49.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.961 -0.563 . . . . 0.73 110.168 171.51 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 58.44 39.27 25.32 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 116.093 -0.503 . . . . 1.46 111.789 175.847 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 84.57 0.87 89.32 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.983 -0.627 . . . . 0.67 112.885 178.076 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -105.07 126.74 52.4 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.856 0.36 . . . . 1.93 110.389 179.823 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 60.3 mtpt -83.49 113.4 20.76 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.977 -0.556 . . . . 2.12 110.366 -178.838 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 588' ' ' LEU . . . . . 0.548 HD11 HD12 ' A' ' 583' ' ' ILE . 54.3 mt -87.38 127.4 35.21 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.993 -0.549 . . . . 0.28 109.863 177.929 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 589' ' ' LEU . . . . . 0.404 ' HB3' ' SG ' ' A' ' 525' ' ' CYS . 37.8 tp -83.69 107.93 16.44 Favored 'General case' 0 C--N 1.309 -1.17 0 N-CA-C 108.655 -0.869 . . . . 0.38 108.655 173.725 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 590' ' ' ILE . . . . . 0.419 ' HB ' ' CB ' ' A' ' 576' ' ' TYR . 40.8 mt -96.43 115.59 36.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 108.432 -0.951 . . . . 0.17 108.432 177.056 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 591' ' ' ARG . . . . . 0.689 ' HA ' HG13 ' A' ' 573' ' ' VAL . 73.7 mtt180 -139.04 165.04 28.18 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.324 0.49 . . . . 3.0 112.324 -173.787 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 592' ' ' MET . . . . . 0.602 ' HG2' HG11 ' A' ' 573' ' ' VAL . 0.1 OUTLIER -62.95 134.71 56.61 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.623 -0.717 . . . . 0.33 109.43 -178.629 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 23.0 t -81.8 130.78 35.18 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.047 0.451 . . . . 1.04 110.759 -176.482 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 22.2 p -99.12 -25.14 14.63 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.521 -0.763 . . . . 1.6 110.304 175.145 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 81.8 mtp180 -74.52 -39.53 62.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.386 -0.825 . . . . 2.94 110.801 -179.574 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 66.3 m-85 -124.25 133.63 53.45 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.333 -0.394 . . . . 0.93 110.308 177.273 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -91.27 -39.63 11.97 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.866 -0.606 . . . . 3.4 109.524 174.568 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 598' ' ' GLU . . . . . 0.425 ' HA ' HG23 ' A' ' 521' ' ' VAL . 8.7 pt-20 -148.71 144.62 27.22 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.938 -1.028 . . . . 2.02 109.589 -179.17 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 599' ' ' LEU . . . . . 0.467 HD12 ' HB2' ' A' ' 562' ' ' GLU . 42.9 mt . . . . . 0 C--N 1.323 -0.544 0 CA-C-O 121.348 0.594 . . . . 1.02 110.266 178.02 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 74.5 t . . . . . 0 N--CA 1.448 -0.552 0 CA-C-O 121.182 0.515 . . . . 0.44 109.635 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 522' ' ' VAL . . . . . 0.467 HG21 ' SD ' ' A' ' 572' ' ' MET . 61.0 t -103.45 133.25 47.85 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.982 0 CA-C-N 115.755 -0.657 . . . . 0.25 109.424 177.202 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 5.8 p-80 -109.38 139.43 44.35 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.144 0.497 . . . . 1.75 110.007 -177.95 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 524' ' ' ILE . . . . . 0.467 HD12 HG13 ' A' ' 537' ' ' VAL . 78.2 mt -115.98 129.78 71.77 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.881 0 CA-C-N 115.673 -0.694 . . . . 0.28 110.172 179.231 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 16.4 p -120.56 175.02 6.2 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.889 -0.596 . . . . 1.28 110.5 -176.909 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 67.87 29.07 6.81 Favored 'General case' 0 N--CA 1.466 0.341 0 O-C-N 123.567 0.542 . . . . 1.22 110.361 179.147 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 79.8 mt -82.57 122.34 78.61 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 115.603 -0.726 . . . . 0.6 111.082 -175.917 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 528' ' ' PRO . . . . . 0.506 ' HD2' ' SG ' ' A' ' 532' ' ' CYS . 38.1 Cg_endo -69.01 129.53 18.57 Favored 'Trans proline' 0 N--CA 1.459 -0.539 0 C-N-CA 121.379 1.386 . . . . 0.62 111.025 174.093 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -70.4 125.73 27.62 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.972 -0.558 . . . . 2.98 111.701 -177.333 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 84.95 -18.4 26.99 Favored Glycine 0 N--CA 1.45 -0.405 0 CA-C-N 115.887 -0.597 . . . . 0.94 112.994 177.393 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 50.9 m -86.15 -34.46 20.57 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.805 0.336 . . . . 1.17 111.318 -176.699 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 532' ' ' CYS . . . . . 0.506 ' SG ' ' HD2' ' A' ' 528' ' ' PRO . 57.2 m -85.34 149.31 25.54 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.365 -0.379 . . . . 0.77 110.212 179.372 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 533' ' ' THR . . . . . 0.434 ' O ' HG23 ' A' ' 537' ' ' VAL . 30.1 p -106.46 165.92 10.92 Favored 'General case' 0 C--N 1.319 -0.761 0 N-CA-C 109.125 -0.695 . . . . 0.54 109.125 173.932 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -62.63 -45.28 93.56 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.05 -0.722 . . . . 1.32 109.05 176.744 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -62.41 -43.57 98.5 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.096 -0.956 . . . . 1.95 111.793 -177.016 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 536' ' ' ASP . . . . . 0.686 ' O ' ' HG ' ' A' ' 540' ' ' LEU . 8.8 m-20 -61.15 -45.85 92.97 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 120.908 -0.317 . . . . 0.52 111.45 -179.069 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 537' ' ' VAL . . . . . 0.467 HG13 HD12 ' A' ' 524' ' ' ILE . 70.9 t -61.66 -42.05 92.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.101 0.477 . . . . 0.25 110.508 -178.986 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 86.3 mt -67.13 -45.83 85.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.768 -0.651 . . . . 0.24 110.743 177.301 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 539' ' ' ASN . . . . . 0.534 ' O ' ' HD3' ' A' ' 543' ' ' PRO . 79.0 m-20 -61.79 -27.15 68.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.564 -0.744 . . . . 1.07 112.056 -178.341 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 540' ' ' LEU . . . . . 0.686 ' HG ' ' O ' ' A' ' 536' ' ' ASP . 41.0 mt -64.24 -39.49 94.07 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 121.094 -0.242 . . . . 0.36 111.287 178.74 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -80.01 -36.87 23.73 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.71 -0.757 . . . . 0.22 112.772 -177.562 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 542' ' ' LEU . . . . . 0.642 ' HA ' ' O ' ' A' ' 545' ' ' GLY . 68.5 mt -48.07 -42.81 52.39 Favored Pre-proline 0 CA--C 1.545 0.776 0 N-CA-C 115.343 1.609 . . . . 0.25 115.343 -173.218 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 543' ' ' PRO . . . . . 0.534 ' HD3' ' O ' ' A' ' 539' ' ' ASN . 80.3 Cg_exo -50.79 -34.4 44.54 Favored 'Trans proline' 0 C--N 1.357 1.003 0 C-N-CA 121.849 1.699 . . . . 0.19 115.138 -174.706 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 69.2 m-85 -110.6 -18.98 13.05 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 113.039 0.755 . . . . 0.35 113.039 177.778 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 545' ' ' GLY . . . . . 0.642 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . -145.35 149.66 21.81 Favored Glycine 0 CA--C 1.52 0.351 0 C-N-CA 120.266 -0.968 . . . . 1.14 113.529 178.443 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 546' ' ' LYS . . . . . 0.497 ' O ' ' HA ' ' A' ' 563' ' ' MET . 56.2 tptt -86.72 127.67 34.98 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.774 0.321 . . . . 1.56 111.674 -177.926 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 547' ' ' VAL . . . . . 0.601 ' HA ' ' O ' ' A' ' 562' ' ' GLU . 84.4 t -87.98 135.71 24.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.473 -0.785 . . . . 0.25 110.535 177.017 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 81.5 p -101.27 -39.59 7.55 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.084 0.469 . . . . 0.37 110.523 177.188 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -157.98 168.46 27.06 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.647 -0.706 . . . . 1.43 109.941 179.423 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 33.4 p90 -141.24 151.15 43.48 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.982 0.42 . . . . 0.47 110.885 -177.756 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 551' ' ' ILE . . . . . 0.53 HD12 HD22 ' A' ' 599' ' ' LEU . 29.9 mt -130.73 123.73 55.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.643 -0.708 . . . . 0.37 109.148 174.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 552' ' ' LEU . . . . . . . . . . . . . 46.5 mt -110.68 111.22 22.27 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.289 -0.414 . . . . 0.45 111.526 -174.507 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 63.4 mtt -108.93 86.02 2.21 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.411 0.624 . . . . 1.18 110.033 174.417 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 32.7 mmtm -67.74 -30.09 69.48 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.386 -0.824 . . . . 1.45 110.461 -177.031 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 65.1 p -58.88 -36.85 75.33 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.603 -0.726 . . . . 1.11 111.602 -178.011 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 556' ' ' THR . . . . . 0.409 ' O ' ' HG2' ' A' ' 558' ' ' GLN . 69.2 p -101.07 11.43 39.56 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.297 -0.41 . . . . 0.88 111.601 -178.895 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 56.34 43.23 26.64 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.93 -0.577 . . . . 2.35 110.737 -179.806 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 558' ' ' GLN . . . . . 0.409 ' HG2' ' O ' ' A' ' 556' ' ' THR . 74.6 mm-40 -140.23 149.02 42.37 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.132 0.492 . . . . 2.07 110.85 -175.61 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -130.13 142.56 50.58 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 115.944 -0.571 . . . . 0.27 109.527 175.498 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 560' ' ' PHE . . . . . 0.518 ' HB3' HD21 ' A' ' 599' ' ' LEU . 76.6 m-85 -120.05 126.79 51.66 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 109.666 -0.494 . . . . 0.33 109.666 179.348 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 14.8 tp -124.19 128.09 48.7 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.735 -0.666 . . . . 0.22 109.559 -174.232 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 562' ' ' GLU . . . . . 0.601 ' O ' ' HA ' ' A' ' 547' ' ' VAL . 7.4 tp10 -99.35 138.45 36.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.69 -0.232 . . . . 1.85 111.327 -172.321 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 563' ' ' MET . . . . . 0.497 ' HA ' ' O ' ' A' ' 546' ' ' LYS . 14.8 mmt -115.96 135.07 54.32 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.337 0.589 . . . . 0.96 111.43 -176.2 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -66.26 -25.99 67.13 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.332 -0.849 . . . . 0.36 111.556 -177.155 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -126.12 134.41 51.35 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.423 -0.808 . . . . 1.27 109.12 -178.826 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 7.1 t -69.37 -30.81 68.89 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.71 0.291 . . . . 0.52 110.246 178.675 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -66.94 -35.88 80.99 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-O 121.055 0.455 . . . . 1.91 110.062 174.705 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 568' ' ' ALA . . . . . 0.622 ' HB1' ' CA ' ' A' ' 545' ' ' GLY . . . -62.54 -46.16 89.64 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 115.52 -0.764 . . . . 0.28 109.519 176.854 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 569' ' ' ALA . . . . . 0.87 ' HA ' ' SD ' ' A' ' 572' ' ' MET . . . -64.29 -45.48 87.83 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.507 -0.769 . . . . 0.19 111.567 -179.631 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 570' ' ' GLN . . . . . 0.555 ' O ' ' HG2' ' A' ' 574' ' ' GLN . 46.9 mt-30 -65.86 -47.15 75.9 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.26 -0.427 . . . . 1.21 111.149 -179.251 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -68.82 -37.93 79.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.552 -0.294 . . . . 0.31 111.547 -176.349 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 572' ' ' MET . . . . . 0.87 ' SD ' ' HA ' ' A' ' 569' ' ' ALA . 3.0 ptm -63.58 -47.69 80.44 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.674 -0.491 . . . . 0.62 109.674 -179.509 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 573' ' ' VAL . . . . . 0.688 HG13 ' HA ' ' A' ' 591' ' ' ARG . 50.6 t -67.24 -37.42 79.1 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.611 0 CA-C-N 116.399 -0.364 . . . . 0.21 111.235 -177.743 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 574' ' ' GLN . . . . . 0.555 ' HG2' ' O ' ' A' ' 570' ' ' GLN . 15.8 mm100 -59.1 -36.83 75.83 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.619 -0.432 . . . . 1.9 110.001 177.597 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 575' ' ' TYR . . . . . 0.414 ' HD2' ' CD2' ' A' ' 576' ' ' TYR . 82.5 t80 -69.67 -50.69 41.54 Favored 'General case' 0 C--O 1.219 -0.537 0 C-N-CA 120.729 -0.389 . . . . 0.52 111.277 172.958 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 576' ' ' TYR . . . . . 0.54 ' CB ' ' HB ' ' A' ' 590' ' ' ILE . 20.4 m-85 -74.7 -19.41 60.26 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 112.34 0.496 . . . . 0.34 112.34 -170.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 15.9 mm-40 -71.11 -30.54 66.64 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 120.904 0.383 . . . . 1.84 110.74 172.641 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 36.1 mm-40 -97.58 -39.93 8.87 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.115 0.483 . . . . 2.07 111.286 -179.819 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 13.1 mmmm -128.9 84.47 62.99 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-N 115.938 -0.574 . . . . 2.07 109.641 175.009 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_exo -73.37 159.62 46.36 Favored 'Trans proline' 0 CA--C 1.529 0.229 0 C-N-CA 123.396 2.731 . . . . 0.19 112.284 -176.282 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 581' ' ' ALA . . . . . 0.518 ' HB1' HD22 ' A' ' 540' ' ' LEU . . . -93.62 153.16 18.54 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.826 0.346 . . . . 0.2 111.193 -172.88 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 582' ' ' ILE . . . . . 0.514 ' HA ' ' O ' ' A' ' 586' ' ' GLU . 61.8 mt -111.33 133.05 58.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.105 0.479 . . . . 0.54 112.166 -173.06 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 583' ' ' ILE . . . . . . . . . . . . . 34.3 mm -120.51 113.57 40.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 115.366 -0.834 . . . . 0.73 110.543 173.493 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 52.91 40.61 31.22 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 122.87 0.468 . . . . 1.46 111.759 178.314 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 85.76 4.49 85.03 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.739 -0.743 . . . . 0.67 112.644 179.28 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 586' ' ' GLU . . . . . 0.514 ' O ' ' HA ' ' A' ' 582' ' ' ILE . 56.3 mm-40 -101.83 125.42 48.5 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 110.093 -0.336 . . . . 1.93 110.093 178.443 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -86.83 107.42 18.3 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.39 -0.596 . . . . 2.12 109.39 177.217 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 588' ' ' LEU . . . . . . . . . . . . . 77.4 mt -92.43 125.86 37.26 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.833 -0.622 . . . . 0.28 110.451 -177.764 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 32.2 tp -82.55 109.4 16.72 Favored 'General case' 0 N--CA 1.44 -0.969 0 N-CA-C 108.573 -0.899 . . . . 0.38 108.573 175.119 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 590' ' ' ILE . . . . . 0.54 ' HB ' ' CB ' ' A' ' 576' ' ' TYR . 49.2 mt -94.96 116.02 35.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 N-CA-C 108.42 -0.955 . . . . 0.17 108.42 -179.859 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 591' ' ' ARG . . . . . 0.688 ' HA ' HG13 ' A' ' 573' ' ' VAL . 27.0 ptt180 -144.73 163.97 32.42 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.985 0.735 . . . . 3.0 112.985 -172.69 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 592' ' ' MET . . . . . 0.577 ' HG2' HG11 ' A' ' 573' ' ' VAL . 0.7 OUTLIER -63.61 139.59 58.78 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.248 -0.887 . . . . 0.33 110.549 -173.563 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 23.1 t -87.85 126.63 35.14 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.772 -0.455 . . . . 1.04 109.772 174.835 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 15.1 p -95.38 -14.02 24.21 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.201 0.524 . . . . 1.6 109.895 173.472 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -81.45 -37.08 28.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.594 -0.73 . . . . 2.94 110.792 179.737 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -115.09 132.9 56.45 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.041 0.448 . . . . 0.93 111.109 176.317 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 62.0 mttp -91.58 -39.96 11.61 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.421 -0.808 . . . . 3.4 109.356 172.722 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -143.33 148.2 35.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.04 -0.982 . . . . 2.02 109.209 178.226 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 599' ' ' LEU . . . . . 0.53 HD22 HD12 ' A' ' 551' ' ' ILE . 59.3 mt . . . . . 0 C--N 1.321 -0.656 0 CA-C-O 121.239 0.543 . . . . 1.02 110.311 175.131 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 68.8 t . . . . . 0 N--CA 1.449 -0.508 0 N-CA-C 109.72 -0.474 . . . . 0.44 109.72 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 522' ' ' VAL . . . . . . . . . . . . . 49.3 t -98.99 128.94 50.09 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 N-CA-C 109.531 -0.544 . . . . 0.25 109.531 -179.624 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 523' ' ' HIS . . . . . 0.438 ' CE1' ' HG3' ' A' ' 591' ' ' ARG . 5.0 p-80 -106.43 136.72 45.69 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.407 -0.517 . . . . 1.75 109.913 -179.447 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 524' ' ' ILE . . . . . 0.496 HD12 HG13 ' A' ' 537' ' ' VAL . 74.7 mt -110.77 130.47 64.1 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.953 0 CA-C-N 115.517 -0.765 . . . . 0.28 110.135 -178.936 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 525' ' ' CYS . . . . . 0.595 ' SG ' ' HB3' ' A' ' 589' ' ' LEU . 2.9 p -123.45 175.0 7.01 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.93 -0.577 . . . . 1.28 111.0 -177.106 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 69.55 26.34 5.11 Favored 'General case' 0 N--CA 1.469 0.487 0 O-C-N 124.027 0.829 . . . . 1.22 110.312 -174.824 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 79.6 mt -83.43 121.67 76.73 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 115.981 -0.554 . . . . 0.6 111.164 -177.572 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 528' ' ' PRO . . . . . 0.768 ' HD2' ' SG ' ' A' ' 532' ' ' CYS . 17.3 Cg_exo -68.17 132.26 25.59 Favored 'Trans proline' 0 C--O 1.238 0.496 0 C-N-CA 122.474 2.116 . . . . 0.62 111.596 171.696 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -68.07 131.64 45.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.845 0.355 . . . . 2.98 111.509 -179.679 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 77.36 -19.64 3.68 Favored Glycine 0 C--O 1.228 -0.223 0 CA-C-N 115.96 -0.564 . . . . 0.94 113.834 174.583 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 531' ' ' SER . . . . . 0.499 ' HB2' ' HB2' ' A' ' 528' ' ' PRO . 16.1 m -85.46 -32.17 22.43 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 117.139 0.469 . . . . 1.17 110.605 -179.556 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 532' ' ' CYS . . . . . 0.768 ' SG ' ' HD2' ' A' ' 528' ' ' PRO . 36.4 m -85.24 136.11 33.65 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.893 -0.594 . . . . 0.77 109.952 178.27 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 69.9 p -105.93 168.61 9.01 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.523 -0.547 . . . . 0.54 109.523 176.52 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -59.93 -40.67 89.69 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.502 0.668 . . . . 1.32 109.348 179.603 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -62.5 -43.49 98.68 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 114.798 -1.092 . . . . 1.95 112.105 -175.653 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 536' ' ' ASP . . . . . 0.459 ' O ' ' HG ' ' A' ' 540' ' ' LEU . 63.9 m-20 -63.75 -47.42 81.09 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 120.956 0.408 . . . . 0.52 110.898 -175.874 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 537' ' ' VAL . . . . . 0.496 HG13 HD12 ' A' ' 524' ' ' ILE . 59.5 t -62.57 -42.58 96.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.443 -0.799 . . . . 0.25 110.857 -176.53 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 97.8 mt -66.74 -45.58 87.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.012 -0.54 . . . . 0.24 110.978 179.298 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 539' ' ' ASN . . . . . 0.562 ' O ' ' HD3' ' A' ' 543' ' ' PRO . 21.5 m-80 -63.47 -28.31 69.87 Favored 'General case' 0 CA--C 1.518 -0.254 0 N-CA-C 112.563 0.579 . . . . 1.07 112.563 -179.849 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 540' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' A' ' 536' ' ' ASP . 28.7 mt -68.39 -33.51 74.38 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.67 -0.412 . . . . 0.36 111.669 178.804 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -79.25 -33.86 34.5 Favored Glycine 0 CA--C 1.518 0.264 0 C-N-CA 120.22 -0.99 . . . . 0.22 112.674 -178.281 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 542' ' ' LEU . . . . . 0.548 HD12 ' HA ' ' A' ' 539' ' ' ASN . 87.8 mt -52.04 -48.1 89.49 Favored Pre-proline 0 CA--C 1.548 0.873 0 N-CA-C 115.531 1.678 . . . . 0.25 115.531 -175.019 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 543' ' ' PRO . . . . . 0.562 ' HD3' ' O ' ' A' ' 539' ' ' ASN . 17.2 Cg_exo -43.24 -33.53 3.83 Favored 'Trans proline' 0 N--CA 1.484 0.953 0 C-N-CA 123.259 2.639 . . . . 0.19 117.273 -167.27 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 544' ' ' PHE . . . . . 0.495 ' HB2' ' CA ' ' A' ' 572' ' ' MET . 79.0 m-85 -110.02 -17.44 13.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 121.16 -0.963 . . . . 0.35 112.362 179.719 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -128.77 -140.33 4.92 Favored Glycine 0 C--N 1.32 -0.359 0 CA-C-N 116.094 -0.503 . . . . 1.14 112.741 -179.348 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 546' ' ' LYS . . . . . 0.472 ' O ' ' HA ' ' A' ' 563' ' ' MET . 29.9 tptp -151.41 138.73 19.37 Favored 'General case' 0 C--N 1.312 -1.038 0 N-CA-C 109.147 -0.686 . . . . 1.56 109.147 173.369 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 92.3 t -91.88 134.38 30.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 O-C-N 123.229 0.331 . . . . 0.25 110.469 179.461 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 548' ' ' THR . . . . . 0.492 ' CG2' ' HA ' ' A' ' 564' ' ' ALA . 37.4 p -107.33 -40.57 5.34 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.023 -0.535 . . . . 0.37 111.031 176.908 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 72.3 m-20 -147.81 165.65 29.92 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.988 -0.551 . . . . 1.43 109.93 -176.694 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 11.8 p90 -150.04 150.03 31.17 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 110.139 -0.319 . . . . 0.47 110.139 178.057 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 551' ' ' ILE . . . . . 0.444 HD12 HD22 ' A' ' 599' ' ' LEU . 21.0 mt -137.74 124.07 27.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 109.299 -0.63 . . . . 0.37 109.299 173.407 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 552' ' ' LEU . . . . . . . . . . . . . 84.5 mt -105.09 110.83 23.37 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 116.009 -0.542 . . . . 0.45 110.97 -177.098 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 24.9 mmt -101.47 81.82 2.23 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.782 -0.822 . . . . 1.18 108.782 174.597 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -70.55 -30.18 66.83 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.002 -0.999 . . . . 1.45 110.951 -175.286 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 65.3 p -64.27 -25.92 68.27 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.899 -0.591 . . . . 1.11 111.174 178.914 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 76.6 p -105.96 9.38 32.64 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.3 -0.409 . . . . 0.88 111.367 179.785 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 4.1 t30 56.85 42.64 26.21 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 115.821 -0.627 . . . . 2.35 110.823 -179.337 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -143.37 149.72 38.1 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.009 0.433 . . . . 2.07 111.369 -174.554 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -130.49 143.8 50.99 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.143 -0.48 . . . . 0.27 110.271 176.083 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 560' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -120.61 129.09 53.59 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.011 -0.54 . . . . 0.33 110.062 178.791 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 15.2 tp -124.29 126.32 45.84 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.013 -0.54 . . . . 0.22 110.123 -175.525 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 562' ' ' GLU . . . . . 0.429 ' HB2' HD12 ' A' ' 599' ' ' LEU . 39.2 tt0 -100.65 138.95 37.01 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.253 -0.431 . . . . 1.85 110.075 -176.945 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 563' ' ' MET . . . . . 0.472 ' HA ' ' O ' ' A' ' 546' ' ' LYS . 21.6 mmt -109.61 164.09 12.86 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.108 -0.496 . . . . 0.96 111.274 -174.402 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 564' ' ' ALA . . . . . 0.492 ' HA ' ' CG2' ' A' ' 548' ' ' THR . . . -65.1 -46.78 79.64 Favored 'General case' 0 C--O 1.237 0.427 0 N-CA-C 111.958 0.355 . . . . 0.36 111.958 -178.35 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -133.61 161.16 35.4 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.878 -0.601 . . . . 1.27 109.545 -178.547 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 566' ' ' THR . . . . . 0.591 ' O ' ' HG2' ' A' ' 570' ' ' GLN . 14.7 t -63.64 -36.9 85.35 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 120.367 -0.533 . . . . 0.52 110.134 179.175 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -65.18 -31.77 73.12 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-O 120.877 0.37 . . . . 1.91 110.651 177.244 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 568' ' ' ALA . . . . . . . . . . . . . . . -62.2 -47.13 85.83 Favored 'General case' 0 N--CA 1.447 -0.625 0 N-CA-C 108.576 -0.898 . . . . 0.28 108.576 172.992 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 569' ' ' ALA . . . . . 0.55 ' HA ' ' SD ' ' A' ' 572' ' ' MET . . . -67.76 -39.29 84.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.042 -0.981 . . . . 0.19 112.028 -177.865 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 570' ' ' GLN . . . . . 0.591 ' HG2' ' O ' ' A' ' 566' ' ' THR . 23.4 mm-40 -62.51 -46.11 89.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.224 0.535 . . . . 1.21 110.055 178.422 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -62.22 -47.78 82.89 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.283 -0.871 . . . . 0.31 113.011 -167.228 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 572' ' ' MET . . . . . 0.55 ' SD ' ' HA ' ' A' ' 569' ' ' ALA . 0.5 OUTLIER -71.31 -41.84 69.41 Favored 'General case' 0 CA--C 1.518 -0.266 0 C-N-CA 119.902 -0.719 . . . . 0.62 110.544 -177.892 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 573' ' ' VAL . . . . . 0.615 HG13 ' HA ' ' A' ' 591' ' ' ARG . 91.3 t -67.37 -37.17 78.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.912 -0.585 . . . . 0.21 112.079 -174.968 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 574' ' ' GLN . . . . . 0.532 ' HG2' ' O ' ' A' ' 570' ' ' GLN . 11.5 mm-40 -59.48 -36.74 76.59 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.693 -0.403 . . . . 1.9 109.944 176.736 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -68.71 -48.61 63.42 Favored 'General case' 0 C--O 1.215 -0.757 0 CA-C-N 116.17 -0.468 . . . . 0.52 110.499 172.113 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 576' ' ' TYR . . . . . 0.47 ' CB ' ' HB ' ' A' ' 590' ' ' ILE . 25.0 m-85 -76.01 -16.87 59.89 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 113.859 1.059 . . . . 0.34 113.859 -171.141 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -78.74 -28.48 44.9 Favored 'General case' 0 C--N 1.315 -0.895 0 C-N-CA 119.655 -0.818 . . . . 1.84 110.179 173.721 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -96.83 -39.76 9.26 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.783 -0.644 . . . . 2.07 111.446 -179.392 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -133.51 80.48 57.09 Favored Pre-proline 0 C--N 1.322 -0.61 0 N-CA-C 108.96 -0.755 . . . . 2.07 108.96 176.406 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_exo -66.89 160.61 46.11 Favored 'Trans proline' 0 CA--C 1.531 0.356 0 C-N-CA 123.788 2.992 . . . . 0.19 113.445 -172.172 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -91.82 153.18 19.74 Favored 'General case' 0 CA--C 1.52 -0.174 0 CA-C-N 115.846 -0.615 . . . . 0.2 110.623 -173.194 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 582' ' ' ILE . . . . . 0.419 HG12 ' HG2' ' A' ' 587' ' ' LYS . 70.0 mt -114.53 134.92 55.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 112.844 0.683 . . . . 0.54 112.844 -169.85 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 583' ' ' ILE . . . . . 0.461 HD12 HD11 ' A' ' 588' ' ' LEU . 16.5 mt -122.37 126.9 74.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.58 -0.736 . . . . 0.73 109.505 168.282 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 59.23 35.75 23.57 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.078 -0.51 . . . . 1.46 111.647 177.351 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 76.8 7.28 86.08 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 121.108 -0.568 . . . . 0.67 113.092 177.207 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -120.75 135.83 55.04 Favored 'General case' 0 N--CA 1.442 -0.836 0 N-CA-C 109.832 -0.432 . . . . 1.93 109.832 179.864 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 587' ' ' LYS . . . . . 0.419 ' HG2' HG12 ' A' ' 582' ' ' ILE . 43.7 mtmt -82.4 127.28 33.11 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.08 -0.509 . . . . 2.12 111.969 -171.348 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 588' ' ' LEU . . . . . 0.461 HD11 HD12 ' A' ' 583' ' ' ILE . 38.4 mt -95.99 137.4 35.11 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.577 -0.738 . . . . 0.28 109.392 175.001 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 589' ' ' LEU . . . . . 0.595 ' HB3' ' SG ' ' A' ' 525' ' ' CYS . 46.6 tp -89.86 109.91 20.89 Favored 'General case' 0 C--N 1.311 -1.07 0 C-N-CA 119.724 -0.79 . . . . 0.38 108.958 173.012 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 590' ' ' ILE . . . . . 0.47 ' HB ' ' CB ' ' A' ' 576' ' ' TYR . 43.0 mt -97.52 115.63 37.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 108.199 -1.037 . . . . 0.17 108.199 177.758 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 591' ' ' ARG . . . . . 0.615 ' HA ' HG13 ' A' ' 573' ' ' VAL . 15.2 ptm180 -146.57 159.29 43.63 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.287 0.565 . . . . 3.0 112.406 -173.17 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 592' ' ' MET . . . . . 0.499 ' HG2' HG11 ' A' ' 573' ' ' VAL . 1.2 mmt -64.19 134.58 55.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.235 -0.893 . . . . 0.33 110.55 -175.331 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 32.3 t -87.9 134.01 33.79 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.07 0.462 . . . . 1.04 110.835 176.786 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 17.3 p -95.96 -0.29 50.89 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.663 0.744 . . . . 1.6 109.781 173.651 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 72.2 mtp180 -95.0 -36.69 11.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.194 -0.912 . . . . 2.94 111.345 -176.913 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 47.6 m-85 -122.22 132.48 54.46 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.721 0.296 . . . . 0.93 111.018 -178.784 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -92.07 -36.58 13.27 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.924 -0.58 . . . . 3.4 109.872 171.171 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -147.67 147.53 30.07 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.371 -0.831 . . . . 2.02 110.218 -179.856 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 599' ' ' LEU . . . . . 0.444 HD22 HD12 ' A' ' 551' ' ' ILE . 92.9 mt . . . . . 0 C--N 1.322 -0.603 0 CA-C-N 116.021 -0.536 . . . . 1.02 110.417 -179.494 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 71.8 t . . . . . 0 N--CA 1.452 -0.373 0 CA-C-O 121.105 0.479 . . . . 0.44 110.454 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 522' ' ' VAL . . . . . . . . . . . . . 58.5 t -109.31 134.27 51.88 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 N-CA-C 109.128 -0.693 . . . . 0.25 109.128 174.978 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 11.6 p-80 -110.73 140.35 45.2 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.357 0.599 . . . . 1.75 110.831 -178.447 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 524' ' ' ILE . . . . . 0.535 HD12 HG13 ' A' ' 537' ' ' VAL . 79.0 mt -112.95 130.03 67.54 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.876 0 CA-C-N 115.285 -0.87 . . . . 0.28 110.735 -177.153 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 45.9 m -114.12 174.44 5.94 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.845 -0.616 . . . . 1.28 110.432 -178.337 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 68.8 27.64 5.68 Favored 'General case' 0 N--CA 1.468 0.441 0 O-C-N 123.593 0.558 . . . . 1.22 111.131 178.192 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 527' ' ' LEU . . . . . 0.508 HD21 HD13 ' A' ' 588' ' ' LEU . 79.2 mt -84.51 120.26 74.0 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 116.217 -0.447 . . . . 0.6 111.107 -177.864 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 528' ' ' PRO . . . . . 0.504 ' HD2' ' SG ' ' A' ' 532' ' ' CYS . 37.1 Cg_endo -69.1 132.88 25.37 Favored 'Trans proline' 0 C--O 1.238 0.485 0 C-N-CA 122.566 2.178 . . . . 0.62 112.059 174.383 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -68.73 132.09 46.26 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.575 -0.739 . . . . 2.98 111.371 -179.386 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 79.38 -18.28 6.98 Favored Glycine 0 CA--C 1.517 0.191 0 CA-C-N 116.172 -0.467 . . . . 0.94 113.594 175.815 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 15.6 m -89.29 -34.33 16.63 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.889 0.375 . . . . 1.17 110.952 -177.757 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 532' ' ' CYS . . . . . 0.504 ' SG ' ' HD2' ' A' ' 528' ' ' PRO . 55.5 m -86.02 137.24 32.85 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.253 -0.43 . . . . 0.77 110.821 -179.934 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 69.6 p -105.78 170.39 7.93 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.677 -0.49 . . . . 0.54 109.677 175.974 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -60.19 -43.42 95.91 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.313 0.578 . . . . 1.32 109.599 178.298 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -59.77 -43.52 94.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 114.932 -1.031 . . . . 1.95 111.661 -177.418 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 536' ' ' ASP . . . . . 0.555 ' O ' ' HG ' ' A' ' 540' ' ' LEU . 38.6 m-20 -59.56 -48.56 81.2 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 120.848 0.356 . . . . 0.52 111.237 -176.283 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 537' ' ' VAL . . . . . 0.535 HG13 HD12 ' A' ' 524' ' ' ILE . 45.7 t -63.01 -45.72 98.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.774 -0.648 . . . . 0.25 110.537 -176.041 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 88.0 mt -66.91 -42.74 89.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.732 -0.667 . . . . 0.24 110.651 -179.812 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 539' ' ' ASN . . . . . 0.522 ' O ' ' HD3' ' A' ' 543' ' ' PRO . 0.9 OUTLIER -65.36 -28.3 69.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.074 -0.512 . . . . 1.07 112.132 -178.488 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 540' ' ' LEU . . . . . 0.555 ' HG ' ' O ' ' A' ' 536' ' ' ASP . 55.7 mt -73.58 -34.49 65.13 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.856 -0.338 . . . . 0.36 111.817 -179.538 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -77.22 -39.93 25.6 Favored Glycine 0 N--CA 1.453 -0.186 0 C-N-CA 120.287 -0.959 . . . . 0.22 112.329 -179.531 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 542' ' ' LEU . . . . . 0.634 ' HA ' ' O ' ' A' ' 545' ' ' GLY . 81.0 mt -49.01 -44.11 70.33 Favored Pre-proline 0 CA--C 1.546 0.793 0 N-CA-C 115.106 1.521 . . . . 0.25 115.106 -174.28 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 543' ' ' PRO . . . . . 0.522 ' HD3' ' O ' ' A' ' 539' ' ' ASN . 34.3 Cg_exo -47.98 -34.27 22.42 Favored 'Trans proline' 0 C--N 1.358 1.071 0 C-N-CA 122.501 2.134 . . . . 0.19 115.792 -173.553 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 544' ' ' PHE . . . . . 0.521 ' HB2' ' CB ' ' A' ' 572' ' ' MET . 95.5 m-85 -111.44 -18.74 12.8 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 119.824 -0.751 . . . . 0.35 112.854 177.367 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 545' ' ' GLY . . . . . 0.634 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . -148.43 149.61 21.67 Favored Glycine 0 C--O 1.224 -0.482 0 C-N-CA 120.821 -0.704 . . . . 1.14 113.104 178.713 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 546' ' ' LYS . . . . . 0.468 ' O ' ' HA ' ' A' ' 563' ' ' MET . 23.5 tptm -85.7 137.18 33.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.012 0.434 . . . . 1.56 111.598 -177.937 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 547' ' ' VAL . . . . . 0.522 ' HA ' ' O ' ' A' ' 562' ' ' GLU . 97.4 t -90.1 136.66 23.25 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 CA-C-N 115.182 -0.917 . . . . 0.25 111.215 179.687 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 26.5 p -104.38 -41.58 5.71 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.75 -0.659 . . . . 0.37 112.044 176.46 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 61.8 m-80 -147.81 165.21 31.25 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.267 -0.642 . . . . 1.43 109.267 -178.231 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 12.1 p90 -145.16 149.0 34.2 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.706 -0.397 . . . . 0.47 110.859 176.58 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 551' ' ' ILE . . . . . 0.42 HD12 HD22 ' A' ' 599' ' ' LEU . 23.7 mt -136.45 123.54 32.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 109.135 -0.691 . . . . 0.37 109.135 174.215 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 552' ' ' LEU . . . . . . . . . . . . . 84.1 mt -106.64 111.31 23.8 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 116.028 -0.533 . . . . 0.45 111.387 -176.484 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 26.2 mmt -107.93 83.89 1.87 Allowed 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.39 -0.596 . . . . 1.18 109.39 174.121 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -68.32 -30.75 69.81 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.524 -0.762 . . . . 1.45 110.597 -176.591 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 68.4 p -60.65 -31.52 70.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.966 -0.561 . . . . 1.11 111.261 179.144 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 70.8 p -98.39 9.23 43.57 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.073 0.463 . . . . 0.88 110.984 178.371 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 10.7 m120 55.11 40.37 31.83 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 115.195 -0.911 . . . . 2.35 111.116 178.045 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -148.86 162.13 40.44 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.009 0.433 . . . . 2.07 110.601 -176.55 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -137.63 144.47 41.92 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.973 -0.558 . . . . 0.27 110.347 179.943 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 560' ' ' PHE . . . . . 0.424 ' HB3' HD21 ' A' ' 599' ' ' LEU . 90.6 m-85 -114.45 126.84 55.42 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.181 -0.463 . . . . 0.33 109.856 178.239 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 15.3 tp -126.27 126.44 44.0 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.366 -0.605 . . . . 0.22 109.366 -176.126 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 562' ' ' GLU . . . . . 0.522 ' O ' ' HA ' ' A' ' 547' ' ' VAL . 36.0 tt0 -99.45 138.76 36.08 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.555 0.217 . . . . 1.85 110.921 -173.013 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 563' ' ' MET . . . . . 0.468 ' HA ' ' O ' ' A' ' 546' ' ' LYS . 15.7 mmt -113.62 137.16 51.98 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.018 -0.537 . . . . 0.96 110.71 -176.1 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -65.7 -29.78 70.37 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-N 115.155 -0.93 . . . . 0.36 111.965 -176.546 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 565' ' ' TYR . . . . . 0.401 ' HB2' ' HB2' ' A' ' 568' ' ' ALA . 54.4 m-85 -121.62 141.87 50.68 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 116.119 -0.491 . . . . 1.27 109.819 -176.437 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 566' ' ' THR . . . . . 0.448 ' O ' ' HG3' ' A' ' 570' ' ' GLN . 8.0 t -64.33 -35.53 81.16 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.542 -0.54 . . . . 0.52 109.542 175.649 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -66.15 -38.6 88.5 Favored 'General case' 0 CA--C 1.515 -0.398 0 CA-C-N 115.879 -0.6 . . . . 1.91 110.496 175.973 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 568' ' ' ALA . . . . . 0.586 ' HB1' ' CA ' ' A' ' 545' ' ' GLY . . . -62.18 -44.39 96.71 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.652 -0.704 . . . . 0.28 110.422 179.469 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 569' ' ' ALA . . . . . 0.442 ' HB1' ' HE1' ' A' ' 592' ' ' MET . . . -67.75 -46.44 72.09 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.69 -0.686 . . . . 0.19 111.509 -179.313 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 570' ' ' GLN . . . . . 0.517 ' O ' ' HG2' ' A' ' 574' ' ' GLN . 76.3 mt-30 -68.14 -46.0 72.03 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.415 -0.357 . . . . 1.21 111.545 -176.828 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -62.25 -42.17 99.09 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-N 116.309 -0.405 . . . . 0.31 111.602 -174.301 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 572' ' ' MET . . . . . 0.521 ' CB ' ' HB2' ' A' ' 544' ' ' PHE . 15.8 ptp -65.88 -45.06 83.47 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 116.341 -0.39 . . . . 0.62 110.307 -178.978 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 573' ' ' VAL . . . . . 0.647 HG13 ' HA ' ' A' ' 591' ' ' ARG . 98.1 t -66.94 -36.84 78.15 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.513 0 CA-C-N 116.246 -0.433 . . . . 0.21 111.504 -177.059 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 574' ' ' GLN . . . . . 0.517 ' HG2' ' O ' ' A' ' 570' ' ' GLN . 15.9 mm100 -58.85 -38.12 78.01 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.511 -0.552 . . . . 1.9 109.511 178.127 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 72.5 t80 -69.38 -49.65 53.45 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.794 -0.639 . . . . 0.52 111.079 172.984 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 576' ' ' TYR . . . . . 0.476 ' CE1' ' HB2' ' A' ' 572' ' ' MET . 20.6 m-85 -73.4 -16.73 61.32 Favored 'General case' 0 C--O 1.222 -0.36 0 N-CA-C 113.012 0.745 . . . . 0.34 113.012 -172.109 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 577' ' ' GLN . . . . . 0.58 ' NE2' ' HB3' ' A' ' 591' ' ' ARG . 25.6 mm-40 -76.14 -29.26 57.73 Favored 'General case' 0 C--N 1.319 -0.723 0 O-C-N 121.872 -0.517 . . . . 1.84 110.747 173.909 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -98.06 -39.54 8.87 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.86 0.362 . . . . 2.07 111.258 178.622 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 59.2 mtpt -130.0 80.57 70.84 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-N 116.166 -0.47 . . . . 2.07 110.125 177.112 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_exo -71.2 160.1 50.02 Favored 'Trans proline' 0 C--O 1.233 0.266 0 C-N-CA 123.553 2.836 . . . . 0.19 112.195 -176.005 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -92.31 152.58 19.72 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.353 -0.385 . . . . 0.2 110.188 -175.432 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 60.7 mt -119.6 129.67 75.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 N-CA-C 111.991 0.367 . . . . 0.54 111.991 -170.327 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 583' ' ' ILE . . . . . 0.588 HD12 HD11 ' A' ' 588' ' ' LEU . 31.7 mt -121.66 120.63 62.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.052 -0.522 . . . . 0.73 110.582 174.544 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 584' ' ' ASN . . . . . 0.48 HD22 ' N ' ' A' ' 584' ' ' ASN . 0.8 OUTLIER 59.32 34.28 22.85 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 116.245 -0.434 . . . . 1.46 111.162 177.602 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 81.78 4.39 90.34 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.785 -0.722 . . . . 0.67 112.606 179.682 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 42.2 mm-40 -102.45 125.9 49.31 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.999 -0.371 . . . . 1.93 109.999 178.095 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 61.4 mttp -79.62 112.32 16.77 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.936 -0.394 . . . . 2.12 109.936 178.521 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 588' ' ' LEU . . . . . 0.588 HD11 HD12 ' A' ' 583' ' ' ILE . 22.9 mt -85.82 121.06 27.94 Favored 'General case' 0 CA--C 1.501 -0.91 0 CA-C-N 115.799 -0.637 . . . . 0.28 109.767 179.402 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 24.9 tp -84.65 107.34 16.81 Favored 'General case' 0 N--CA 1.43 -1.428 0 N-CA-C 108.128 -1.064 . . . . 0.38 108.128 174.747 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 590' ' ' ILE . . . . . 0.436 ' HB ' ' CB ' ' A' ' 576' ' ' TYR . 34.8 mt -96.3 116.12 37.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 108.286 -1.005 . . . . 0.17 108.286 179.697 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 591' ' ' ARG . . . . . 0.647 ' HA ' HG13 ' A' ' 573' ' ' VAL . 26.6 ptt180 -142.37 158.97 43.13 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 113.775 1.028 . . . . 3.0 113.775 -172.143 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 592' ' ' MET . . . . . 0.622 ' HG2' HG11 ' A' ' 573' ' ' VAL . 0.1 OUTLIER -65.34 131.85 47.51 Favored 'General case' 0 N--CA 1.461 0.113 0 CA-C-N 114.315 -1.311 . . . . 0.33 111.286 -174.736 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 20.6 m -87.64 128.65 35.28 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.77 0.319 . . . . 1.04 111.078 176.32 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 11.6 p -98.89 -17.77 18.21 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.166 0.508 . . . . 1.6 109.974 171.531 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 76.2 mtp180 -79.32 -41.98 26.75 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.717 -0.674 . . . . 2.94 111.133 -179.874 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -109.88 129.69 55.62 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.903 -0.319 . . . . 0.93 110.673 -178.011 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp -95.17 -39.71 9.96 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.077 -0.51 . . . . 3.4 110.284 168.33 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -134.63 145.79 48.94 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.545 -0.752 . . . . 2.02 111.536 -175.778 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 599' ' ' LEU . . . . . 0.424 HD21 ' HB3' ' A' ' 560' ' ' PHE . 94.8 mt . . . . . 0 C--N 1.319 -0.727 0 CA-C-N 115.664 -0.698 . . . . 1.02 110.084 171.225 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 521' ' ' VAL . . . . . 0.538 HG22 ' HG ' ' A' ' 599' ' ' LEU . 65.4 t . . . . . 0 N--CA 1.45 -0.453 0 CA-C-O 121.472 0.653 . . . . 0.44 111.715 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 522' ' ' VAL . . . . . . . . . . . . . 95.7 t -104.68 134.37 46.24 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-N 114.954 -1.021 . . . . 0.25 108.939 172.596 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 523' ' ' HIS . . . . . 0.421 ' CE1' ' HG3' ' A' ' 591' ' ' ARG . 5.8 p-80 -108.5 136.89 47.36 Favored 'General case' 0 C--N 1.318 -0.765 0 C-N-CA 120.185 -0.606 . . . . 1.75 109.709 179.582 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 524' ' ' ILE . . . . . 0.568 HD12 HG13 ' A' ' 537' ' ' VAL . 76.0 mt -113.99 132.32 63.37 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.949 0 CA-C-N 115.859 -0.61 . . . . 0.28 110.293 -179.237 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 10.9 p -126.63 176.6 7.09 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.704 -0.68 . . . . 1.28 110.426 -176.943 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 14.5 m120 69.61 26.69 4.96 Favored 'General case' 0 N--CA 1.466 0.348 0 O-C-N 123.78 0.675 . . . . 1.22 110.381 -177.501 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 87.7 mt -85.54 120.9 73.46 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 115.774 -0.648 . . . . 0.6 110.844 -176.289 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 528' ' ' PRO . . . . . 0.656 ' HD2' ' SG ' ' A' ' 532' ' ' CYS . 16.9 Cg_exo -68.67 131.08 22.0 Favored 'Trans proline' 0 C--O 1.236 0.412 0 C-N-CA 122.214 1.942 . . . . 0.62 111.512 172.295 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -69.4 134.93 49.6 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.847 -0.615 . . . . 2.98 111.433 179.844 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 84.6 -18.34 25.48 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 121.16 -0.543 . . . . 0.94 112.954 176.781 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 5.8 m -94.51 -35.29 12.35 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.108 0.48 . . . . 1.17 110.871 -179.198 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 532' ' ' CYS . . . . . 0.656 ' SG ' ' HD2' ' A' ' 528' ' ' PRO . 35.9 m -86.19 130.32 34.56 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.854 -0.612 . . . . 0.77 110.894 -177.998 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 80.6 p -108.19 169.99 8.29 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.556 -0.535 . . . . 0.54 109.556 174.586 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 534' ' ' GLU . . . . . 0.428 ' HG3' ' N ' ' A' ' 535' ' ' ASN . 7.9 pt-20 -61.37 -37.9 85.07 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.936 -0.765 . . . . 1.32 108.936 174.15 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 535' ' ' ASN . . . . . 0.428 ' N ' ' HG3' ' A' ' 534' ' ' GLU . 4.4 m-20 -59.31 -44.61 92.53 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.148 -0.933 . . . . 1.95 110.712 179.612 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 536' ' ' ASP . . . . . 0.686 ' O ' ' HG ' ' A' ' 540' ' ' LEU . 30.3 m-20 -68.23 -48.07 66.11 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.514 -0.474 . . . . 0.52 111.121 -177.586 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 537' ' ' VAL . . . . . 0.568 HG13 HD12 ' A' ' 524' ' ' ILE . 77.2 t -63.56 -46.01 96.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.146 -0.479 . . . . 0.25 110.901 -176.717 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 97.7 mt -67.49 -45.35 85.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.01 -0.541 . . . . 0.24 111.25 -179.805 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 539' ' ' ASN . . . . . 0.555 ' O ' ' HD3' ' A' ' 543' ' ' PRO . 79.8 m-20 -62.77 -27.63 69.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.29 -0.414 . . . . 1.07 112.036 -178.461 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 540' ' ' LEU . . . . . 0.686 ' HG ' ' O ' ' A' ' 536' ' ' ASP . 45.5 mt -71.17 -35.65 71.71 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 111.992 0.367 . . . . 0.36 111.992 -179.631 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -79.25 -34.36 33.07 Favored Glycine 0 N--CA 1.455 -0.069 0 C-N-CA 120.336 -0.935 . . . . 0.22 112.199 -179.12 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 542' ' ' LEU . . . . . 0.553 ' HA ' ' O ' ' A' ' 545' ' ' GLY . 62.2 mt -48.33 -46.4 67.96 Favored Pre-proline 0 CA--C 1.545 0.783 0 N-CA-C 114.87 1.433 . . . . 0.25 114.87 -176.164 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 543' ' ' PRO . . . . . 0.555 ' HD3' ' O ' ' A' ' 539' ' ' ASN . 41.7 Cg_exo -47.51 -34.05 19.01 Favored 'Trans proline' 0 C--N 1.357 1.021 0 C-N-CA 122.498 2.132 . . . . 0.19 115.79 -172.9 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 544' ' ' PHE . . . . . 0.436 ' HB2' ' CB ' ' A' ' 572' ' ' MET . 95.7 m-85 -111.12 -17.81 13.15 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 113.059 0.762 . . . . 0.35 113.059 178.527 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 545' ' ' GLY . . . . . 0.553 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . -150.76 144.32 11.67 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.952 -0.642 . . . . 1.14 112.295 176.153 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 55.8 tttp -81.74 143.98 31.44 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.129 0.49 . . . . 1.56 111.499 -177.408 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 83.3 t -97.06 136.68 26.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 114.998 -1.001 . . . . 0.25 110.883 -178.553 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 548' ' ' THR . . . . . 0.591 ' OG1' ' HG3' ' A' ' 562' ' ' GLU . 75.9 p -106.15 -38.52 6.25 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.218 -0.446 . . . . 0.37 110.978 177.83 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 46.7 m-80 -147.64 166.61 26.89 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 109.65 -0.5 . . . . 1.43 109.65 -176.546 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 10.1 p90 -152.05 151.47 31.16 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.895 -0.322 . . . . 0.47 111.05 179.282 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 551' ' ' ILE . . . . . 0.526 HD12 HD22 ' A' ' 599' ' ' LEU . 19.7 mt -136.22 124.22 35.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.12 -0.491 . . . . 0.37 109.691 174.043 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 552' ' ' LEU . . . . . . . . . . . . . 68.5 mt -109.02 111.67 23.44 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.828 0.347 . . . . 0.45 111.333 -179.371 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 62.1 mtt -108.89 86.96 2.38 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.235 0.54 . . . . 1.18 110.123 175.09 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 554' ' ' LYS . . . . . 0.417 ' HD2' ' H ' ' A' ' 554' ' ' LYS . 0.1 OUTLIER -68.22 -30.08 69.06 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.862 -0.608 . . . . 1.45 110.397 -177.133 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 70.1 p -63.32 -34.76 78.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.704 -0.68 . . . . 1.11 111.783 -178.488 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 556' ' ' THR . . . . . 0.401 ' O ' ' HG3' ' A' ' 558' ' ' GLN . 76.0 p -98.06 3.51 49.3 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.999 0.428 . . . . 0.88 110.832 -178.729 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 57.87 42.4 23.19 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.117 -0.947 . . . . 2.35 110.728 -178.121 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 558' ' ' GLN . . . . . 0.401 ' HG3' ' O ' ' A' ' 556' ' ' THR . 49.1 mt-30 -141.87 148.97 39.62 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.207 -0.451 . . . . 2.07 110.557 -176.803 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -129.93 143.56 50.87 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 116.304 -0.407 . . . . 0.27 110.085 176.946 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 560' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -120.79 126.4 50.03 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.198 -0.455 . . . . 0.33 109.871 -179.974 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 14.2 tp -121.84 125.41 46.4 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.847 -0.615 . . . . 0.22 109.776 -175.696 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 562' ' ' GLU . . . . . 0.591 ' HG3' ' OG1' ' A' ' 548' ' ' THR . 8.8 tp10 -100.01 137.73 38.06 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.092 -0.504 . . . . 1.85 110.326 -174.201 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 563' ' ' MET . . . . . . . . . . . . . 19.3 mmt -113.38 161.71 16.96 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.252 0.549 . . . . 0.96 111.795 -169.901 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -75.88 -46.71 28.73 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.743 -0.662 . . . . 0.36 111.642 -179.11 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -120.71 155.76 33.2 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.434 -0.348 . . . . 1.27 110.157 -176.558 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 11.4 t -63.49 -39.59 94.86 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 110.108 -0.33 . . . . 0.52 110.108 175.163 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -66.43 -33.81 76.55 Favored 'General case' 0 C--O 1.224 -0.284 0 CA-C-N 116.32 -0.4 . . . . 1.91 110.665 178.278 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 568' ' ' ALA . . . . . 0.4 ' HB1' ' CA ' ' A' ' 545' ' ' GLY . . . -62.04 -45.65 92.63 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.013 0.435 . . . . 0.28 110.191 179.446 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -68.29 -46.45 70.3 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.535 -0.757 . . . . 0.19 111.62 -178.965 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 570' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -68.2 -45.97 71.92 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.61 -0.268 . . . . 1.21 111.403 -177.373 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -62.31 -42.16 99.14 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-N 116.308 -0.405 . . . . 0.31 111.386 -175.636 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 572' ' ' MET . . . . . 0.496 ' HG3' ' N ' ' A' ' 573' ' ' VAL . 16.3 ptp -66.76 -46.31 75.77 Favored 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 120.618 -0.433 . . . . 0.62 110.043 179.367 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 573' ' ' VAL . . . . . 0.784 HG13 ' HA ' ' A' ' 591' ' ' ARG . 45.8 t -66.93 -42.66 89.14 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.527 0 N-CA-C 112.175 0.435 . . . . 0.21 112.175 -173.985 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -61.35 -35.41 77.35 Favored 'General case' 0 C--N 1.319 -0.728 0 C-N-CA 120.266 -0.574 . . . . 1.9 110.042 178.039 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 55.9 t80 -66.43 -46.39 76.63 Favored 'General case' 0 C--O 1.216 -0.681 0 CA-C-N 116.018 -0.537 . . . . 0.52 110.299 172.971 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 576' ' ' TYR . . . . . 0.454 ' CE1' ' HB2' ' A' ' 572' ' ' MET . 21.1 m-85 -76.72 -17.34 59.15 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 112.629 0.603 . . . . 0.34 112.629 -175.59 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -78.51 -27.22 46.07 Favored 'General case' 0 C--N 1.32 -0.709 0 O-C-N 121.86 -0.525 . . . . 1.84 110.217 175.307 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -97.74 -39.15 9.19 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.997 -0.547 . . . . 2.07 110.873 177.429 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -130.61 82.42 64.92 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 115.732 -0.667 . . . . 2.07 109.519 176.918 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_exo -72.45 160.64 46.31 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 123.68 2.92 . . . . 0.19 113.223 -172.89 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 581' ' ' ALA . . . . . 0.451 ' HB1' HD22 ' A' ' 540' ' ' LEU . . . -92.49 152.9 19.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.796 -0.638 . . . . 0.2 110.415 -175.356 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 582' ' ' ILE . . . . . 0.439 HG12 ' HG2' ' A' ' 587' ' ' LYS . 33.9 mt -120.93 133.0 69.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 112.512 0.56 . . . . 0.54 112.512 -168.212 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 583' ' ' ILE . . . . . 0.452 HD12 HD11 ' A' ' 588' ' ' LEU . 42.2 mt -122.19 119.55 58.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 115.993 -0.549 . . . . 0.73 110.055 171.248 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 56.16 35.6 25.97 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 112.132 0.419 . . . . 1.46 112.132 177.396 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 85.71 3.48 86.03 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.611 -0.804 . . . . 0.67 112.751 178.364 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 586' ' ' GLU . . . . . 0.403 ' O ' ' HA ' ' A' ' 582' ' ' ILE . 20.0 mm-40 -102.14 125.69 48.9 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.718 -0.475 . . . . 1.93 109.718 177.402 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 587' ' ' LYS . . . . . 0.439 ' HG2' HG12 ' A' ' 582' ' ' ILE . 38.1 mtmm -86.09 107.61 17.91 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.809 -0.441 . . . . 2.12 109.809 179.189 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 588' ' ' LEU . . . . . 0.452 HD11 HD12 ' A' ' 583' ' ' ILE . 38.8 mt -81.83 131.4 35.26 Favored 'General case' 0 CA--C 1.505 -0.762 0 CA-C-N 116.022 -0.535 . . . . 0.28 110.113 -178.027 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 34.6 tp -83.64 107.62 16.2 Favored 'General case' 0 N--CA 1.434 -1.24 0 N-CA-C 108.414 -0.958 . . . . 0.38 108.414 171.53 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 590' ' ' ILE . . . . . . . . . . . . . 59.6 mt -95.88 115.18 34.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 N-CA-C 107.791 -1.188 . . . . 0.17 107.791 176.141 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 591' ' ' ARG . . . . . 0.784 ' HA ' HG13 ' A' ' 573' ' ' VAL . 20.4 ptt180 -143.88 161.39 38.81 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.708 0.633 . . . . 3.0 112.708 -171.871 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 592' ' ' MET . . . . . 0.657 ' HG2' HG11 ' A' ' 573' ' ' VAL . 0.3 OUTLIER -63.28 139.27 58.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.377 -0.828 . . . . 0.33 110.63 -174.429 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 31.3 t -87.16 127.05 35.15 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 110.053 -0.351 . . . . 1.04 110.053 177.373 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 21.1 p -93.71 -18.25 22.32 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.114 -0.494 . . . . 1.6 110.761 178.076 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -84.04 -41.81 16.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.044 -0.525 . . . . 2.94 110.972 -178.309 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -108.06 133.39 52.42 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 110.032 -0.358 . . . . 0.93 110.032 -179.44 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 12.2 ttpp -91.85 -41.64 10.52 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.402 -0.592 . . . . 3.4 109.402 172.568 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 598' ' ' GLU . . . . . 0.446 ' HA ' ' OE2' ' A' ' 562' ' ' GLU . 0.0 OUTLIER -146.19 149.9 34.83 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.575 -0.739 . . . . 2.02 110.419 179.682 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 599' ' ' LEU . . . . . 0.538 ' HG ' HG22 ' A' ' 521' ' ' VAL . 37.0 mt . . . . . 0 C--N 1.322 -0.599 0 CA-C-O 121.192 0.52 . . . . 1.02 112.196 -177.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.755 0 N-CA-C 112.077 -0.409 . . . . 6.72 112.077 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . 58.54 34.66 24.07 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.182 0.515 . . . . 5.43 111.319 -179.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 512' ' ' MET . . . . . 0.417 ' SD ' ' HG3' ' A' ' 606' ' ' LYS . 0.0 OUTLIER -150.41 162.95 39.57 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.929 -0.578 . . . . 6.23 110.494 -178.733 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . 61.29 -174.61 0.13 Allowed 'General case' 0 C--O 1.234 0.245 0 O-C-N 123.89 0.744 . . . . 2.28 111.995 178.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 514' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 48.17 67.58 0.82 Allowed 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 115.779 -0.646 . . . . 5.14 110.439 -177.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 29.7 mmm180 -66.92 -36.41 82.18 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.059 -0.973 . . . . 6.6 110.769 -175.016 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -107.6 147.21 30.93 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.645 -0.707 . . . . 5.25 109.664 170.375 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -75.56 69.17 2.07 Favored Glycine 0 N--CA 1.452 -0.265 0 CA-C-N 116.171 -0.468 . . . . 3.29 113.412 -173.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 518' ' ' ALA . . . . . . . . . . . . . . . -150.73 -78.92 0.13 Allowed 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 110.205 -0.295 . . . . 2.38 110.205 177.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 82.65 142.29 4.31 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.733 -0.746 . . . . 1.58 112.834 178.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 63.9 mtt180 -154.77 141.71 19.2 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 122.892 0.477 . . . . 2.39 110.048 175.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 521' ' ' VAL . . . . . 0.485 HG22 ' HG ' ' A' ' 599' ' ' LEU . 99.3 t -103.87 134.71 44.37 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 115.827 -0.624 . . . . 0.44 110.476 177.575 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 522' ' ' VAL . . . . . 0.419 HG13 ' O ' ' A' ' 591' ' ' ARG . 83.5 t -103.95 132.29 50.75 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.924 0 CA-C-N 115.448 -0.797 . . . . 0.25 109.409 172.793 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 -106.0 132.43 52.1 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.347 -0.612 . . . . 1.75 109.347 178.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 524' ' ' ILE . . . . . 0.518 HD12 HG13 ' A' ' 537' ' ' VAL . 77.1 mt -113.57 129.65 69.0 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-N 115.859 -0.609 . . . . 0.28 110.409 -177.763 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 525' ' ' CYS . . . . . 0.466 ' SG ' ' HB3' ' A' ' 589' ' ' LEU . 25.1 p -119.01 176.35 5.33 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.674 -0.694 . . . . 1.28 110.545 -176.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 17.4 m120 69.37 26.88 5.17 Favored 'General case' 0 N--CA 1.466 0.346 0 O-C-N 123.779 0.674 . . . . 1.22 110.681 179.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 80.6 mt -87.53 120.12 70.98 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 115.693 -0.685 . . . . 0.6 110.875 -178.114 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 528' ' ' PRO . . . . . 0.725 ' HD2' ' SG ' ' A' ' 532' ' ' CYS . 11.3 Cg_exo -70.83 129.91 17.2 Favored 'Trans proline' 0 N--CA 1.458 -0.612 0 C-N-CA 122.162 1.908 . . . . 0.62 111.52 171.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 529' ' ' GLU . . . . . 0.501 ' CD ' ' H ' ' A' ' 529' ' ' GLU . 1.5 pm0 -70.32 129.11 38.43 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.859 0.362 . . . . 2.98 110.562 175.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 90.28 -18.78 46.99 Favored Glycine 0 N--CA 1.448 -0.526 0 CA-C-N 116.049 -0.523 . . . . 0.94 113.252 177.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 531' ' ' SER . . . . . 0.443 ' HB2' ' HB2' ' A' ' 528' ' ' PRO . 14.3 m -95.74 -36.9 11.01 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 117.308 0.554 . . . . 1.17 111.028 -178.101 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 532' ' ' CYS . . . . . 0.725 ' SG ' ' HD2' ' A' ' 528' ' ' PRO . 59.8 m -87.55 142.96 27.45 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.188 -0.46 . . . . 0.77 110.088 175.766 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 66.9 p -105.53 170.08 8.1 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.267 -0.642 . . . . 0.54 109.267 173.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -57.67 -38.33 74.94 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.274 0.559 . . . . 1.32 109.814 177.158 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 35.0 m-80 -64.45 -42.97 95.66 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-N 115.231 -0.895 . . . . 1.95 111.329 -176.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 536' ' ' ASP . . . . . 0.545 ' O ' ' HG ' ' A' ' 540' ' ' LEU . 45.3 m-20 -58.86 -46.06 88.67 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 120.826 0.346 . . . . 0.52 111.085 -175.537 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 537' ' ' VAL . . . . . 0.518 HG13 HD12 ' A' ' 524' ' ' ILE . 45.7 t -62.01 -45.49 98.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.719 -0.673 . . . . 0.25 110.345 -178.101 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 84.1 mt -67.27 -45.94 85.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.683 -0.69 . . . . 0.24 110.795 179.097 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 539' ' ' ASN . . . . . 0.537 ' O ' ' HD3' ' A' ' 543' ' ' PRO . 95.9 m-20 -64.97 -27.45 68.84 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.65 -0.705 . . . . 1.07 111.822 -176.716 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 540' ' ' LEU . . . . . 0.545 ' HG ' ' O ' ' A' ' 536' ' ' ASP . 71.5 mt -74.48 -30.47 61.85 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 111.705 0.261 . . . . 0.36 111.705 177.463 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -79.45 -40.17 16.39 Favored Glycine 0 CA--C 1.519 0.299 0 C-N-CA 120.321 -0.942 . . . . 0.22 112.167 179.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 542' ' ' LEU . . . . . 0.558 ' HA ' ' O ' ' A' ' 545' ' ' GLY . 87.3 mt -47.89 -45.77 62.24 Favored Pre-proline 0 CA--C 1.543 0.707 0 N-CA-C 114.923 1.453 . . . . 0.25 114.923 -175.755 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 543' ' ' PRO . . . . . 0.537 ' HD3' ' O ' ' A' ' 539' ' ' ASN . 81.3 Cg_exo -50.23 -34.38 39.64 Favored 'Trans proline' 0 C--N 1.358 1.072 0 C-N-CA 122.141 1.894 . . . . 0.19 115.188 -171.425 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -111.06 -16.53 13.47 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.771 0.656 . . . . 0.35 112.771 178.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 545' ' ' GLY . . . . . 0.558 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . -153.94 140.91 7.84 Favored Glycine 0 CA--C 1.524 0.652 0 C-N-CA 120.832 -0.699 . . . . 1.14 112.927 175.179 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 546' ' ' LYS . . . . . 0.554 ' HB2' ' OD2' ' A' ' 614' ' ' ASP . 4.7 ttmp? -71.31 140.47 50.3 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.005 0.431 . . . . 1.56 111.944 -178.652 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 547' ' ' VAL . . . . . 0.49 ' HA ' ' O ' ' A' ' 562' ' ' GLU . 87.3 t -105.35 136.28 39.98 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.561 0 CA-C-N 115.333 -0.849 . . . . 0.25 109.695 178.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 66.0 p -107.05 -38.45 6.02 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 120.633 -0.427 . . . . 0.37 110.881 177.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -147.24 166.28 27.51 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.258 -0.428 . . . . 1.43 110.194 -172.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 47.6 p90 -150.01 151.4 33.24 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.745 0.307 . . . . 0.47 110.99 179.297 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 551' ' ' ILE . . . . . 0.457 HD12 HD22 ' A' ' 599' ' ' LEU . 34.9 mt -131.38 124.84 55.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 109.132 -0.692 . . . . 0.37 109.132 173.194 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 552' ' ' LEU . . . . . . . . . . . . . 65.0 mt -111.33 111.57 22.72 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.319 -0.4 . . . . 0.45 111.425 -175.031 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 64.8 mtt -108.1 86.52 2.31 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.534 0.683 . . . . 1.18 109.85 175.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -67.65 -29.37 68.66 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.173 -0.922 . . . . 1.45 110.453 -178.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 61.1 p -59.27 -35.95 74.65 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.553 -0.748 . . . . 1.11 111.515 178.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 556' ' ' THR . . . . . 0.464 ' O ' ' HG2' ' A' ' 558' ' ' GLN . 70.1 p -100.3 5.13 44.5 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.659 0.266 . . . . 0.88 111.212 178.651 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 57.4 42.85 24.13 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 115.701 -0.681 . . . . 2.35 110.464 -177.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 558' ' ' GLN . . . . . 0.464 ' HG2' ' O ' ' A' ' 556' ' ' THR . 11.9 mm100 -138.42 150.69 46.76 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.29 -0.413 . . . . 2.07 110.704 -174.422 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -129.94 143.85 51.01 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.338 -0.392 . . . . 0.27 110.436 177.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 560' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -122.31 132.72 54.54 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.938 -0.574 . . . . 0.33 109.697 179.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 561' ' ' LEU . . . . . 0.482 ' HB3' ' HE1' ' A' ' 563' ' ' MET . 14.2 tp -126.76 133.55 50.82 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 116.177 -0.465 . . . . 0.22 110.024 -172.611 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 562' ' ' GLU . . . . . 0.49 ' O ' ' HA ' ' A' ' 547' ' ' VAL . 8.1 tp10 -101.62 138.82 38.1 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 122.627 0.371 . . . . 1.85 111.044 -175.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 563' ' ' MET . . . . . 0.554 ' HE2' ' SD ' ' A' ' 572' ' ' MET . 0.4 OUTLIER -113.94 139.82 48.9 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.741 0.781 . . . . 0.96 111.636 -178.415 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -63.69 -30.26 71.38 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 114.718 -1.128 . . . . 0.36 111.581 -177.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -131.41 140.94 49.75 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.504 -0.925 . . . . 1.27 108.504 -177.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 566' ' ' THR . . . . . 0.472 ' O ' ' HG3' ' A' ' 570' ' ' GLN . 9.9 t -65.16 -31.61 72.88 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.296 -0.411 . . . . 0.52 110.334 -179.607 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -66.58 -34.29 77.56 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-O 120.828 0.347 . . . . 1.91 110.481 175.417 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 568' ' ' ALA . . . . . 0.529 ' HB1' ' CA ' ' A' ' 545' ' ' GLY . . . -62.8 -44.77 95.3 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.009 -0.541 . . . . 0.28 110.296 -179.111 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -67.89 -45.29 74.86 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.795 -0.639 . . . . 0.19 111.27 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 570' ' ' GLN . . . . . 0.636 ' O ' ' HG2' ' A' ' 574' ' ' GLN . 76.5 mt-30 -64.52 -47.36 79.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.274 -0.421 . . . . 1.21 110.905 -179.03 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -62.72 -43.72 98.08 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 116.04 -0.527 . . . . 0.31 111.723 -175.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 572' ' ' MET . . . . . 0.554 ' SD ' ' HE2' ' A' ' 563' ' ' MET . 14.8 ptp -65.75 -45.04 84.05 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 116.378 -0.373 . . . . 0.62 110.694 -177.269 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 573' ' ' VAL . . . . . 0.728 HG13 ' HA ' ' A' ' 591' ' ' ARG . 51.4 t -66.88 -38.37 81.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.353 -0.385 . . . . 0.21 111.672 -175.354 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 574' ' ' GLN . . . . . 0.636 ' HG2' ' O ' ' A' ' 570' ' ' GLN . 15.5 mm100 -60.1 -36.49 77.53 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.511 -0.552 . . . . 1.9 109.511 177.446 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 47.8 t80 -69.29 -48.94 60.21 Favored 'General case' 0 C--O 1.217 -0.654 0 CA-C-N 116.114 -0.494 . . . . 0.52 110.86 173.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 576' ' ' TYR . . . . . 0.506 ' CE1' ' HB2' ' A' ' 572' ' ' MET . 20.8 m-85 -74.7 -17.07 60.72 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 112.814 0.672 . . . . 0.34 112.814 -172.554 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -79.35 -25.0 42.35 Favored 'General case' 0 C--N 1.315 -0.915 0 C-N-CA 120.232 -0.587 . . . . 1.84 110.461 173.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -96.08 -39.13 9.88 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.117 -0.492 . . . . 2.07 111.017 177.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 53.7 mtpt -131.22 83.0 61.28 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 115.804 -0.635 . . . . 2.07 109.685 174.388 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_exo -70.58 159.59 52.28 Favored 'Trans proline' 0 C--O 1.234 0.32 0 C-N-CA 123.238 2.625 . . . . 0.19 112.331 -175.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -93.08 148.77 21.73 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.389 -0.369 . . . . 0.2 110.48 -175.116 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 56.0 mt -122.01 132.98 69.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.37 -0.377 . . . . 0.54 111.646 -172.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 583' ' ' ILE . . . . . 0.467 HD12 HD11 ' A' ' 588' ' ' LEU . 55.7 mt -121.34 116.07 48.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.018 -0.537 . . . . 0.73 110.518 173.034 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 59.33 38.0 23.23 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 116.102 -0.499 . . . . 1.46 111.31 176.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 84.36 -0.09 89.36 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.589 -0.815 . . . . 0.67 112.733 178.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 586' ' ' GLU . . . . . 0.423 ' HG3' ' HG3' ' A' ' 528' ' ' PRO . 13.0 mm-40 -100.64 125.6 47.06 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.516 -0.549 . . . . 1.93 109.516 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -86.63 110.07 19.6 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.217 -0.447 . . . . 2.12 110.491 -177.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 588' ' ' LEU . . . . . 0.467 HD11 HD12 ' A' ' 583' ' ' ILE . 27.2 mt -85.45 123.35 30.79 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.411 -0.589 . . . . 0.28 109.411 178.544 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 589' ' ' LEU . . . . . 0.466 ' HB3' ' SG ' ' A' ' 525' ' ' CYS . 43.7 tp -83.63 108.0 16.44 Favored 'General case' 0 N--CA 1.433 -1.301 0 N-CA-C 107.843 -1.169 . . . . 0.38 107.843 170.44 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 590' ' ' ILE . . . . . . . . . . . . . 55.0 mt -95.54 114.85 33.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 N-CA-C 107.616 -1.253 . . . . 0.17 107.616 177.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 591' ' ' ARG . . . . . 0.728 ' HA ' HG13 ' A' ' 573' ' ' VAL . 15.3 ptm180 -148.63 164.02 35.54 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.155 0.502 . . . . 3.0 112.264 -169.788 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 592' ' ' MET . . . . . 0.639 ' HA ' ' HE2' ' A' ' 592' ' ' MET . 0.4 OUTLIER -63.44 135.96 57.28 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.463 -0.789 . . . . 0.33 110.566 -176.255 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 40.2 t -86.56 130.51 34.47 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.69 -0.485 . . . . 1.04 109.69 176.353 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 20.2 p -92.5 -22.03 19.8 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.188 -0.46 . . . . 1.6 110.887 179.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 13.5 mtm180 -82.32 -41.31 20.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 2.94 110.984 -175.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -107.2 133.36 51.9 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.45 -0.341 . . . . 0.93 110.336 -175.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 51.1 mtmt -91.72 -29.33 16.89 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.081 -0.509 . . . . 3.4 110.136 175.217 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -159.89 151.11 19.52 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.347 -0.842 . . . . 2.02 109.288 -179.216 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 599' ' ' LEU . . . . . 0.485 ' HG ' HG22 ' A' ' 521' ' ' VAL . 87.2 mt -91.24 103.91 16.52 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.196 0.522 . . . . 1.02 110.329 179.095 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 63.4 mt-30 -89.73 86.93 6.81 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.415 -0.811 . . . . 2.87 109.723 -177.342 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 36.1 mt -73.45 124.37 25.68 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.23 0.538 . . . . 1.47 110.579 -178.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 602' ' ' LYS . . . . . 0.631 ' H ' ' HD2' ' A' ' 602' ' ' LYS . 0.0 OUTLIER -101.42 31.91 3.54 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 121.874 0.845 . . . . 5.4 109.183 177.773 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 48.5 mtmt -127.5 149.44 70.09 Favored Pre-proline 0 C--N 1.324 -0.541 0 CA-C-N 114.558 -1.201 . . . . 5.81 109.282 179.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 604' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_exo -62.28 128.48 23.96 Favored 'Trans proline' 0 C--O 1.233 0.259 0 C-N-CA 122.359 2.04 . . . . 6.24 111.162 175.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 605' ' ' GLY . . . . . . . . . . . . . . . -163.85 178.57 39.24 Favored Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 120.393 -0.908 . . . . 6.9 112.34 -178.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . 0.565 ' HA ' ' HE3' ' A' ' 606' ' ' LYS . 0.0 OUTLIER 64.95 33.96 9.39 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 122.868 0.467 . . . . 8.87 111.231 179.381 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -113.06 134.3 54.59 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.081 -0.509 . . . . 9.21 109.935 177.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 47.8 t 71.38 -58.35 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 O-C-N 123.699 0.625 . . . . 9.63 111.23 -179.071 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -72.55 91.68 1.43 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.335 0.588 . . . . 9.47 110.639 179.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -82.89 101.49 11.04 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.797 -0.638 . . . . 9.11 109.862 176.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . 0.406 HD12 ' HE2' ' A' ' 606' ' ' LYS . 51.0 mt -77.25 59.89 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-O 122.18 0.991 . . . . 8.31 109.365 178.064 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 612' ' ' ILE . . . . . 0.492 ' O ' HG22 ' A' ' 612' ' ' ILE . 38.4 mt -117.41 28.76 2.87 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.696 0 CA-C-O 122.61 1.195 . . . . 8.86 109.115 -178.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -100.58 76.86 1.86 Allowed 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 114.363 -1.29 . . . . 10.28 109.182 178.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 614' ' ' ASP . . . . . 0.554 ' OD2' ' HB2' ' A' ' 546' ' ' LYS . 24.0 t70 175.5 136.65 0.05 OUTLIER 'General case' 0 N--CA 1.439 -1.011 0 N-CA-C 108.514 -0.921 . . . . 10.41 108.514 -168.31 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 615' ' ' ILE . . . . . 0.499 ' O ' ' HB2' ' A' ' 616' ' ' HIS . 15.5 tt -51.46 159.55 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.308 -1.229 0 CA-C-N 115.139 -0.937 . . . . 8.61 111.635 176.148 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 616' ' ' HIS . . . . . 0.499 ' HB2' ' O ' ' A' ' 615' ' ' ILE . 36.1 m80 77.92 18.94 1.15 Allowed 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.604 0.762 . . . . 6.75 111.086 -178.64 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 32.9 m -104.69 -63.49 1.21 Allowed 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.689 -0.232 . . . . 6.99 110.882 179.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 618' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 63.01 91.24 0.07 Allowed 'General case' 0 C--O 1.237 0.427 0 O-C-N 123.819 0.7 . . . . 9.26 111.33 -177.261 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 54.7 mtm180 74.67 131.33 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 115.017 -0.992 . . . . 12.9 111.947 176.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 620' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -74.27 127.95 34.28 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.866 -0.606 . . . . 11.34 110.406 177.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 32.6 mmm180 . . . . . 0 C--O 1.247 0.946 0 CA-C-O 118.282 -0.866 . . . . 11.46 109.912 -179.442 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 510' ' ' GLY . . . . . 0.4 ' HA3' ' HB3' ' A' ' 513' ' ' ALA . . . . . . . . 0 N--CA 1.484 1.834 0 N-CA-C 111.655 -0.578 . . . . 6.72 111.655 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . -56.89 -71.78 0.09 Allowed 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.715 0.293 . . . . 5.43 111.189 -177.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 512' ' ' MET . . . . . 0.511 ' HB2' ' OD1' ' A' ' 549' ' ' ASN . 2.1 mpt? -105.21 14.86 28.38 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.284 0.564 . . . . 6.23 110.047 176.132 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 513' ' ' ALA . . . . . 0.582 ' HB2' ' ND2' ' A' ' 549' ' ' ASN . . . -101.89 114.24 28.16 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.526 -0.761 . . . . 2.28 110.598 -179.257 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 514' ' ' GLN . . . . . 0.455 ' C ' ' H ' ' A' ' 516' ' ' LYS . 23.4 mp0 -69.08 -22.38 64.0 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-N 115.321 -0.854 . . . . 5.14 110.656 179.101 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 52.6 mtp180 74.21 -35.42 0.3 Allowed 'General case' 0 N--CA 1.463 0.22 0 O-C-N 124.373 1.045 . . . . 6.6 109.057 -166.489 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 516' ' ' LYS . . . . . 0.455 ' H ' ' C ' ' A' ' 514' ' ' GLN . 9.6 mttm 71.71 18.87 5.12 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.335 -0.848 . . . . 5.25 111.094 164.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . 80.21 -16.19 14.01 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.766 -0.73 . . . . 3.29 111.607 -175.167 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 518' ' ' ALA . . . . . . . . . . . . . . . -173.03 -69.47 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.159 -0.682 . . . . 2.38 109.159 -176.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 76.57 158.56 8.59 Favored Glycine 0 N--CA 1.448 -0.511 0 CA-C-N 115.612 -0.722 . . . . 1.58 113.794 172.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 87.4 mtt180 -141.76 142.52 33.25 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.39 -0.405 . . . . 2.39 110.083 176.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 69.1 t -110.21 136.25 46.76 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 115.725 -0.671 . . . . 0.44 109.717 175.098 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 522' ' ' VAL . . . . . 0.456 HG22 ' HE3' ' A' ' 592' ' ' MET . 68.5 t -101.64 134.81 40.94 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 N-CA-C 110.042 -0.355 . . . . 0.25 110.042 178.585 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 13.5 p-80 -112.88 139.89 48.14 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.34 0.59 . . . . 1.75 110.86 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 524' ' ' ILE . . . . . 0.693 HD12 HG13 ' A' ' 537' ' ' VAL . 69.1 mt -115.92 131.47 68.26 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.872 0 CA-C-N 115.105 -0.952 . . . . 0.28 110.196 -179.62 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 20.7 m -113.81 175.01 5.65 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.062 -0.517 . . . . 1.28 110.671 -174.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 16.1 m120 64.33 31.28 12.96 Favored 'General case' 0 N--CA 1.465 0.309 0 O-C-N 123.628 0.58 . . . . 1.22 111.53 177.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 527' ' ' LEU . . . . . 0.428 HD21 HD13 ' A' ' 588' ' ' LEU . 85.3 mt -86.39 120.48 72.18 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 116.375 -0.375 . . . . 0.6 110.762 -178.676 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 528' ' ' PRO . . . . . 0.604 ' HD2' ' SG ' ' A' ' 532' ' ' CYS . 36.1 Cg_endo -68.34 131.94 24.54 Favored 'Trans proline' 0 C--O 1.237 0.427 0 C-N-CA 122.654 2.236 . . . . 0.62 112.474 177.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.67 133.07 47.91 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.451 -0.795 . . . . 2.98 111.247 177.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 87.01 -17.69 40.19 Favored Glycine 0 N--CA 1.445 -0.735 0 C-N-CA 120.667 -0.778 . . . . 0.94 113.606 175.32 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 10.0 t -105.11 -36.27 7.33 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 117.648 0.724 . . . . 1.17 111.143 -178.291 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 532' ' ' CYS . . . . . 0.604 ' SG ' ' HD2' ' A' ' 528' ' ' PRO . 82.0 m -86.77 128.74 35.04 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.853 0.359 . . . . 0.77 110.879 175.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 81.6 p -106.51 170.94 7.63 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.995 -0.548 . . . . 0.54 109.815 177.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 534' ' ' GLU . . . . . 0.437 ' H ' ' HG3' ' A' ' 534' ' ' GLU . 14.4 mt-10 -51.65 -45.4 63.33 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.212 0.53 . . . . 1.32 110.241 178.331 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 17.5 m-80 -60.28 -43.39 96.26 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.069 -0.969 . . . . 1.95 112.205 -173.036 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 536' ' ' ASP . . . . . 0.512 ' O ' ' HG ' ' A' ' 540' ' ' LEU . 31.9 m-20 -62.44 -46.64 87.63 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 121.112 0.482 . . . . 0.52 110.774 -172.178 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 537' ' ' VAL . . . . . 0.693 HG13 HD12 ' A' ' 524' ' ' ILE . 59.4 t -62.25 -40.79 89.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.205 -0.907 . . . . 0.25 110.138 -178.272 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 86.7 mt -66.86 -42.82 89.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.659 -0.701 . . . . 0.24 110.485 177.499 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -61.55 -29.08 69.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.769 -0.65 . . . . 1.07 111.95 -179.074 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 540' ' ' LEU . . . . . 0.512 ' HG ' ' O ' ' A' ' 536' ' ' ASP . 42.9 mt -73.05 -38.93 66.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.703 -0.226 . . . . 0.36 111.472 -179.288 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -76.71 -39.73 28.46 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.617 -0.802 . . . . 0.22 112.83 -176.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 542' ' ' LEU . . . . . 0.482 ' HA ' ' O ' ' A' ' 545' ' ' GLY . 79.8 mt -47.71 -45.28 59.52 Favored Pre-proline 0 N--CA 1.471 0.608 0 N-CA-C 114.707 1.373 . . . . 0.25 114.707 -173.13 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 543' ' ' PRO . . . . . 0.408 ' HD2' ' O ' ' A' ' 540' ' ' LEU . 56.9 Cg_exo -47.44 -34.09 18.68 Favored 'Trans proline' 0 C--N 1.36 1.135 0 C-N-CA 122.247 1.965 . . . . 0.19 115.188 -173.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 544' ' ' PHE . . . . . 0.521 ' HB2' ' CB ' ' A' ' 572' ' ' MET . 67.7 m-85 -111.42 -19.52 12.56 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.036 -0.665 . . . . 0.35 112.766 176.255 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 545' ' ' GLY . . . . . 0.482 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . -149.25 126.15 2.17 Favored Glycine 0 CA--C 1.521 0.434 0 C-N-CA 120.503 -0.856 . . . . 1.14 113.801 177.719 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 546' ' ' LYS . . . . . 0.443 ' O ' ' HA ' ' A' ' 563' ' ' MET . 55.7 tptt -57.01 140.24 49.65 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 123.144 0.578 . . . . 1.56 111.31 174.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 547' ' ' VAL . . . . . 0.454 ' HA ' ' O ' ' A' ' 562' ' ' GLU . 90.1 t -100.0 135.28 36.38 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.474 0 CA-C-N 115.892 -0.595 . . . . 0.25 110.855 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 32.6 p -107.52 -32.38 7.73 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.238 -0.437 . . . . 0.37 111.612 176.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 549' ' ' ASN . . . . . 0.582 ' ND2' ' HB2' ' A' ' 513' ' ' ALA . 70.2 m-20 -146.91 165.09 30.84 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-N 116.371 -0.377 . . . . 1.43 110.728 -175.656 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 47.1 p90 -151.42 149.16 28.97 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.255 -0.429 . . . . 0.47 109.985 173.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 551' ' ' ILE . . . . . 0.48 HD12 HD22 ' A' ' 599' ' ' LEU . 14.8 mt -138.62 124.36 23.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 N-CA-C 109.211 -0.662 . . . . 0.37 109.211 175.172 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 552' ' ' LEU . . . . . . . . . . . . . 85.3 mt -103.91 112.85 25.99 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.976 -0.557 . . . . 0.45 111.401 -173.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 25.3 mmt -107.32 84.22 1.94 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.545 0.688 . . . . 1.18 109.416 174.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 31.9 mmtp -68.72 -29.01 67.34 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.382 -0.826 . . . . 1.45 110.768 -178.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 67.3 p -61.82 -32.11 72.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.766 -0.652 . . . . 1.11 111.697 179.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 70.2 p -103.9 9.3 36.82 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 120.994 0.426 . . . . 0.88 110.856 178.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 56.68 40.27 29.32 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 115.104 -0.953 . . . . 2.35 111.723 178.047 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -145.85 157.71 43.9 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-O 121.104 0.478 . . . . 2.07 110.917 -176.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -129.98 143.84 51.01 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 116.177 -0.465 . . . . 0.27 110.395 178.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 560' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -111.78 128.64 56.16 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.18 -0.463 . . . . 0.33 109.816 178.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 561' ' ' LEU . . . . . 0.501 ' HB3' ' HE1' ' A' ' 563' ' ' MET . 15.9 tp -124.11 131.1 53.51 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 115.947 -0.57 . . . . 0.22 109.839 -175.625 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 562' ' ' GLU . . . . . 0.454 ' O ' ' HA ' ' A' ' 547' ' ' VAL . 27.8 tt0 -102.36 137.77 40.17 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.571 0.224 . . . . 1.85 110.504 -177.743 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 563' ' ' MET . . . . . 0.512 ' HE2' ' SD ' ' A' ' 572' ' ' MET . 0.5 OUTLIER -107.08 151.58 25.17 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.439 -0.346 . . . . 0.96 111.004 -179.429 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -60.09 -43.2 95.7 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.059 0.457 . . . . 0.36 110.943 -177.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -118.57 151.66 37.47 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.652 -0.704 . . . . 1.27 109.112 -179.464 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 566' ' ' THR . . . . . 0.547 ' O ' ' HG3' ' A' ' 570' ' ' GLN . 9.3 t -61.8 -38.76 89.3 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.098 0.475 . . . . 0.52 109.977 175.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -66.52 -31.65 72.51 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 115.828 -0.624 . . . . 1.91 111.307 178.496 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 568' ' ' ALA . . . . . 0.433 ' HB1' ' CA ' ' A' ' 545' ' ' GLY . . . -61.66 -41.8 98.03 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.214 0.53 . . . . 0.28 109.574 177.084 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . 0.449 ' O ' ' HG2' ' A' ' 572' ' ' MET . . . -68.65 -45.26 72.26 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.276 -0.875 . . . . 0.19 111.384 177.782 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 570' ' ' GLN . . . . . 0.547 ' HG3' ' O ' ' A' ' 566' ' ' THR . 72.6 mt-30 -67.02 -46.45 74.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.463 -0.335 . . . . 1.21 111.27 -176.294 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -62.82 -38.76 92.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.097 -0.501 . . . . 0.31 111.354 -175.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 572' ' ' MET . . . . . 0.521 ' CB ' ' HB2' ' A' ' 544' ' ' PHE . 12.8 ptp -69.02 -45.77 69.63 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.688 -0.405 . . . . 0.62 110.439 -179.61 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 573' ' ' VAL . . . . . 0.612 HG13 ' HA ' ' A' ' 591' ' ' ARG . 94.8 t -67.05 -37.42 79.29 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.654 0 CA-C-N 116.27 -0.423 . . . . 0.21 111.364 -175.332 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 574' ' ' GLN . . . . . 0.45 ' HG2' ' O ' ' A' ' 570' ' ' GLN . 28.8 mm-40 -59.19 -37.4 77.32 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.318 -0.623 . . . . 1.9 109.318 176.648 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 76.8 t80 -68.94 -49.87 54.24 Favored 'General case' 0 C--O 1.217 -0.611 0 CA-C-N 116.184 -0.462 . . . . 0.52 111.161 173.361 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 576' ' ' TYR . . . . . 0.411 ' CE1' ' HB2' ' A' ' 572' ' ' MET . 23.7 m-85 -73.98 -17.28 61.02 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 112.983 0.734 . . . . 0.34 112.983 -172.787 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -74.13 -29.04 61.62 Favored 'General case' 0 C--N 1.317 -0.819 0 C-N-CA 120.585 -0.446 . . . . 1.84 110.386 173.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -97.77 -39.78 8.87 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.225 -0.443 . . . . 2.07 111.205 178.065 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 52.1 mtpt -130.1 82.91 64.88 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-N 115.988 -0.551 . . . . 2.07 109.784 176.306 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -70.36 160.61 48.95 Favored 'Trans proline' 0 CA--C 1.53 0.281 0 C-N-CA 123.868 3.045 . . . . 0.19 112.632 -175.142 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 581' ' ' ALA . . . . . 0.435 ' HB1' HD22 ' A' ' 540' ' ' LEU . . . -92.17 148.51 22.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.375 -0.375 . . . . 0.2 110.654 -174.803 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 66.2 mt -113.79 130.17 68.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 112.288 0.477 . . . . 0.54 112.288 -170.117 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 583' ' ' ILE . . . . . 0.45 HD12 HD11 ' A' ' 588' ' ' LEU . 45.4 mt -122.01 123.09 68.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.018 -0.537 . . . . 0.73 109.82 170.705 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 59.26 34.42 23.03 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 122.9 0.48 . . . . 1.46 111.482 177.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 81.15 3.41 90.67 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.777 -0.725 . . . . 0.67 112.624 -179.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -103.32 126.85 50.7 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.874 0.369 . . . . 1.93 110.293 179.24 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 57.3 mttm -84.44 107.54 16.75 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.11 -0.495 . . . . 2.12 109.897 -179.368 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 588' ' ' LEU . . . . . 0.45 HD11 HD12 ' A' ' 583' ' ' ILE . 60.6 mt -85.02 129.05 34.86 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 116.185 -0.461 . . . . 0.28 109.942 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 36.8 tp -82.44 109.32 16.57 Favored 'General case' 0 N--CA 1.436 -1.173 0 N-CA-C 108.607 -0.886 . . . . 0.38 108.607 174.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 590' ' ' ILE . . . . . . . . . . . . . 58.5 mt -95.44 115.37 34.25 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 N-CA-C 107.786 -1.19 . . . . 0.17 107.786 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 591' ' ' ARG . . . . . 0.612 ' HA ' HG13 ' A' ' 573' ' ' VAL . 27.9 ptt180 -142.44 157.22 44.99 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 113.602 0.964 . . . . 3.0 113.602 -168.661 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 592' ' ' MET . . . . . 0.582 ' HG2' HG11 ' A' ' 573' ' ' VAL . 0.2 OUTLIER -66.77 132.18 47.52 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 114.607 -1.179 . . . . 0.33 111.254 -174.665 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 15.0 m -87.49 130.65 34.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.747 0.308 . . . . 1.04 110.555 174.32 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 11.2 p -89.49 -26.57 20.85 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.127 0.489 . . . . 1.6 110.483 176.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 78.9 mtp180 -74.6 -41.31 60.67 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.729 -0.669 . . . . 2.94 111.453 -179.044 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -106.95 129.89 54.69 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.05 0.452 . . . . 0.93 111.461 -176.409 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 50.9 mtmt -94.81 -38.04 10.94 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.837 0.827 . . . . 3.4 109.589 167.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -145.19 146.35 31.71 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.536 -1.211 . . . . 2.02 109.949 -173.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 599' ' ' LEU . . . . . 0.48 HD22 HD12 ' A' ' 551' ' ' ILE . 95.3 mt -93.95 108.06 19.9 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.254 0.55 . . . . 1.02 110.995 178.272 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 21.1 mm-40 -89.21 89.9 8.13 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.735 -0.666 . . . . 2.87 110.057 177.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 84.7 mt -61.19 122.1 14.21 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.448 -0.796 . . . . 1.47 110.373 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -81.18 68.14 7.37 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.459 0.647 . . . . 5.4 110.873 -176.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 44.2 mmtm -91.87 143.66 28.12 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-N 115.218 -0.901 . . . . 5.81 110.126 177.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 604' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -67.24 -17.87 50.29 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.875 2.383 . . . . 6.24 112.767 179.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 605' ' ' GLY . . . . . . . . . . . . . . . -99.31 -51.11 1.36 Allowed Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.864 -0.684 . . . . 6.9 112.429 179.057 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 35.2 mmtp 71.21 -71.76 0.13 Allowed 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 123.411 0.684 . . . . 8.87 110.871 -178.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -82.23 128.35 34.09 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.926 -0.579 . . . . 9.21 110.28 -178.318 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 38.7 t -67.5 -52.13 44.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 108.332 -0.988 . . . . 9.63 108.332 172.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -138.79 -47.12 0.49 Allowed 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 115.072 -0.967 . . . . 9.47 109.762 167.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 610' ' ' ALA . . . . . 0.401 ' O ' ' HB3' ' A' ' 620' ' ' GLU . . . -162.76 105.35 1.06 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.882 -0.599 . . . . 9.11 110.814 -179.41 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . 0.481 HG23 HE21 ' A' ' 618' ' ' GLN . 72.1 mt -75.94 91.4 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 121.196 0.522 . . . . 8.31 110.13 179.736 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 612' ' ' ILE . . . . . . . . . . . . . 64.7 mt -99.97 96.42 4.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 121.315 0.578 . . . . 8.86 110.591 -179.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -85.56 83.98 7.74 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.51 -0.768 . . . . 10.28 109.644 177.427 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -70.24 -77.34 0.09 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.833 -0.621 . . . . 10.41 111.113 -176.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 615' ' ' ILE . . . . . . . . . . . . . 46.3 mm -101.12 -70.31 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 109.332 -0.618 . . . . 8.61 109.332 175.434 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 35.7 m80 -134.64 -55.45 0.83 Allowed 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.781 -0.822 . . . . 6.75 108.781 171.306 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 19.3 m -58.78 131.86 52.19 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 115.257 -0.883 . . . . 6.99 110.948 178.288 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 618' ' ' GLN . . . . . 0.481 HE21 HG23 ' A' ' 611' ' ' ILE . 43.7 mt-30 -81.17 -75.69 0.27 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.549 -0.75 . . . . 9.26 109.709 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 83.3 mtt180 52.48 61.25 3.29 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.784 -0.644 . . . . 12.9 112.329 174.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 620' ' ' GLU . . . . . 0.401 ' HB3' ' O ' ' A' ' 610' ' ' ALA . 1.3 pt-20 -69.36 139.51 54.19 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.962 -0.295 . . . . 11.34 110.496 176.403 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 80.8 mtm180 . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.774 -0.632 . . . . 11.46 111.083 -179.582 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.579 0 N-CA-C 111.993 -0.443 . . . . 6.72 111.993 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . -98.02 22.55 9.21 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.902 0.382 . . . . 5.43 110.846 -179.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 512' ' ' MET . . . . . 0.544 ' SD ' ' HA ' ' A' ' 604' ' ' PRO . 27.1 ttt -64.16 -35.05 79.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.879 -0.6 . . . . 6.23 111.236 -177.292 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -144.82 -173.12 3.98 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.384 -0.371 . . . . 2.28 110.895 177.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 514' ' ' GLN . . . . . . . . . . . . . 77.3 mm-40 72.75 111.66 0.06 Allowed 'General case' 0 CA--C 1.516 -0.336 0 O-C-N 124.316 1.01 . . . . 5.14 110.962 176.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 515' ' ' ARG . . . . . 0.44 ' NE ' ' HA ' ' A' ' 615' ' ' ILE . 31.9 mmt180 -126.46 -32.58 2.65 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.158 -0.928 . . . . 6.6 110.699 -176.391 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 32.8 mmtp -94.5 14.39 20.94 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.168 -0.469 . . . . 5.25 111.732 174.349 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . 56.89 34.08 64.71 Favored Glycine 0 C--N 1.33 0.225 0 C-N-CA 121.162 -0.542 . . . . 3.29 112.486 -179.06 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 518' ' ' ALA . . . . . . . . . . . . . . . -154.72 -73.0 0.12 Allowed 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.809 -0.441 . . . . 2.38 109.809 -176.211 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 68.85 169.37 5.81 Favored Glycine 0 N--CA 1.451 -0.357 0 CA-C-N 115.819 -0.628 . . . . 1.58 113.038 175.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 59.6 mtt180 -155.31 141.57 18.52 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.999 -0.371 . . . . 2.39 109.999 178.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 521' ' ' VAL . . . . . 0.415 HG22 ' HG ' ' A' ' 599' ' ' LEU . 99.0 t -95.35 131.32 42.47 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.793 0 CA-C-N 116.006 -0.543 . . . . 0.44 109.564 176.013 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 522' ' ' VAL . . . . . 0.429 HG21 ' HE3' ' A' ' 563' ' ' MET . 61.0 t -101.72 133.21 45.86 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.083 0 CA-C-N 115.512 -0.767 . . . . 0.25 109.599 177.728 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 12.4 t-80 -106.28 121.12 43.57 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.891 -0.595 . . . . 1.75 109.658 -177.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 524' ' ' ILE . . . . . 0.464 HD12 HG13 ' A' ' 537' ' ' VAL . 77.6 mt -103.2 126.95 57.48 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.87 0 CA-C-N 115.998 -0.546 . . . . 0.28 109.847 -179.18 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 34.6 m -114.84 173.75 6.32 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.653 -0.703 . . . . 1.28 110.982 -174.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 19.0 m120 65.03 27.88 12.52 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 115.566 -0.743 . . . . 1.22 111.115 178.255 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 527' ' ' LEU . . . . . 0.566 ' O ' ' HB3' ' A' ' 557' ' ' ASN . 80.4 mt -80.26 120.65 80.18 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-O 120.802 0.334 . . . . 0.6 111.112 -177.367 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 528' ' ' PRO . . . . . 0.516 ' HD2' ' SG ' ' A' ' 532' ' ' CYS . 28.3 Cg_endo -69.67 130.85 20.17 Favored 'Trans proline' 0 C--O 1.238 0.499 0 C-N-CA 122.31 2.007 . . . . 0.62 111.858 172.472 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 529' ' ' GLU . . . . . 0.438 ' HB3' ' OD1' ' A' ' 557' ' ' ASN . 1.0 OUTLIER -69.24 137.69 53.35 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.442 -0.345 . . . . 2.98 110.613 177.432 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 79.0 -18.02 6.6 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 121.125 -0.559 . . . . 0.94 113.109 177.04 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 531' ' ' SER . . . . . 0.458 ' HB3' ' ND2' ' A' ' 584' ' ' ASN . 14.7 m -92.11 -35.18 14.03 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.122 0.487 . . . . 1.17 110.522 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 532' ' ' CYS . . . . . 0.516 ' SG ' ' HD2' ' A' ' 528' ' ' PRO . 38.8 m -86.52 131.32 34.21 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.806 -0.634 . . . . 0.77 110.893 -179.463 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 44.0 p -106.11 167.18 9.98 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.277 -0.638 . . . . 0.54 109.277 174.141 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -57.17 -45.4 83.69 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.266 0.555 . . . . 1.32 109.801 178.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -62.66 -43.18 99.46 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.087 -0.96 . . . . 1.95 111.767 -176.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 536' ' ' ASP . . . . . 0.583 ' O ' ' HG ' ' A' ' 540' ' ' LEU . 50.1 m-20 -60.63 -47.4 86.41 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 120.834 0.35 . . . . 0.52 110.95 -177.796 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 537' ' ' VAL . . . . . 0.464 HG13 HD12 ' A' ' 524' ' ' ILE . 76.1 t -62.48 -44.52 99.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.753 -0.658 . . . . 0.25 110.703 -177.631 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 90.1 mt -64.13 -42.98 97.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.966 -0.561 . . . . 0.24 110.648 177.466 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 539' ' ' ASN . . . . . 0.568 ' O ' ' HD3' ' A' ' 543' ' ' PRO . 83.5 m-20 -61.33 -28.3 69.11 Favored 'General case' 0 C--O 1.223 -0.325 0 CA-C-N 115.779 -0.646 . . . . 1.07 111.737 -179.452 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 540' ' ' LEU . . . . . 0.583 ' HG ' ' O ' ' A' ' 536' ' ' ASP . 44.9 mt -74.74 -33.83 62.42 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.172 0.434 . . . . 0.36 112.172 -178.433 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -79.07 -38.42 22.67 Favored Glycine 0 N--CA 1.453 -0.195 0 C-N-CA 120.15 -1.024 . . . . 0.22 112.165 -179.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 542' ' ' LEU . . . . . . . . . . . . . 62.2 mt -49.1 -45.64 75.2 Favored Pre-proline 0 CA--C 1.55 0.964 0 N-CA-C 115.449 1.648 . . . . 0.25 115.449 -176.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 543' ' ' PRO . . . . . 0.568 ' HD3' ' O ' ' A' ' 539' ' ' ASN . 99.4 Cg_exo -51.93 -34.66 57.11 Favored 'Trans proline' 0 C--N 1.357 0.996 0 C-N-CA 122.369 2.046 . . . . 0.19 115.941 -168.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -110.59 -17.74 13.34 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 119.888 -0.725 . . . . 0.35 112.941 179.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 545' ' ' GLY . . . . . 0.538 ' CA ' ' HB1' ' A' ' 568' ' ' ALA . . . -125.7 -145.67 6.51 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.574 -0.822 . . . . 1.14 113.379 177.741 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 546' ' ' LYS . . . . . 0.601 ' O ' ' HA ' ' A' ' 563' ' ' MET . 40.0 tptt -144.46 125.3 14.28 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.266 -0.467 . . . . 1.56 110.585 178.092 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 94.8 t -91.51 136.0 25.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 116.484 -0.325 . . . . 0.25 110.901 179.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 45.0 p -107.94 -40.07 5.35 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.176 -0.466 . . . . 0.37 110.925 175.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -164.13 168.93 18.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.612 -0.722 . . . . 1.43 109.497 -179.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 53.0 p90 -141.32 151.33 43.52 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.016 0.436 . . . . 0.47 111.735 -173.299 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 551' ' ' ILE . . . . . 0.495 HD12 HD22 ' A' ' 599' ' ' LEU . 15.9 mt -126.38 122.34 61.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 108.659 -0.867 . . . . 0.37 108.659 168.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 552' ' ' LEU . . . . . . . . . . . . . 60.8 mt -113.07 120.06 40.02 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 116.17 -0.468 . . . . 0.45 111.783 -174.352 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 22.3 mmt -106.49 85.63 2.21 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.013 -0.736 . . . . 1.18 109.013 174.199 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.68 -29.45 67.9 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.476 -0.564 . . . . 1.45 109.476 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 64.2 p -63.19 -27.23 69.22 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.298 -0.865 . . . . 1.11 112.018 -179.321 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 556' ' ' THR . . . . . 0.424 ' O ' ' HG2' ' A' ' 558' ' ' GLN . 66.8 p -112.57 2.11 16.09 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.045 0.45 . . . . 0.88 110.506 -178.362 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 557' ' ' ASN . . . . . 0.566 ' HB3' ' O ' ' A' ' 527' ' ' LEU . 87.9 m-20 57.22 41.17 27.32 Favored 'General case' 0 CA--C 1.521 -0.166 0 CA-C-N 114.886 -1.052 . . . . 2.35 111.306 -178.017 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 558' ' ' GLN . . . . . 0.424 ' HG2' ' O ' ' A' ' 556' ' ' THR . 8.8 mm100 -139.9 148.54 42.18 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.219 -0.66 . . . . 2.07 109.219 -177.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 559' ' ' ALA . . . . . 0.426 ' HB3' ' HB ' ' A' ' 524' ' ' ILE . . . -131.26 150.67 52.05 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.257 0.465 . . . . 0.27 112.257 -174.435 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 560' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -125.2 126.63 45.52 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.543 -0.753 . . . . 0.33 109.315 176.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 14.6 tp -127.74 129.05 46.43 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 110.119 -0.326 . . . . 0.22 110.119 -175.044 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 562' ' ' GLU . . . . . 0.432 ' OE2' ' HA ' ' A' ' 598' ' ' GLU . 8.7 tp10 -99.44 137.86 37.35 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 121.061 0.457 . . . . 1.85 110.906 -174.461 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 563' ' ' MET . . . . . 0.601 ' HA ' ' O ' ' A' ' 546' ' ' LYS . 20.4 mmt -115.21 135.0 54.64 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.434 -0.803 . . . . 0.96 110.916 -173.37 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -61.6 -32.09 72.19 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 114.958 -1.019 . . . . 0.36 111.34 -177.141 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 565' ' ' TYR . . . . . 0.448 ' HB2' ' HB2' ' A' ' 568' ' ' ALA . 23.4 m-85 -123.44 132.39 53.93 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.136 -0.938 . . . . 1.27 108.804 -176.064 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 5.1 t -65.68 -38.15 88.47 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.11 -0.495 . . . . 0.52 110.955 -176.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 567' ' ' GLU . . . . . 0.55 ' CD ' ' H ' ' A' ' 567' ' ' GLU . 1.6 pm0 -68.33 -32.09 71.95 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.352 -0.385 . . . . 1.91 110.839 175.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 568' ' ' ALA . . . . . 0.538 ' HB1' ' CA ' ' A' ' 545' ' ' GLY . . . -62.14 -41.2 98.04 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.07 0.462 . . . . 0.28 110.164 177.753 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . 0.405 ' O ' ' HG2' ' A' ' 572' ' ' MET . . . -68.08 -45.39 73.95 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.791 -0.641 . . . . 0.19 111.0 178.329 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 570' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -61.81 -45.69 92.77 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.872 -0.604 . . . . 1.21 111.231 179.07 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -62.27 -42.74 99.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.956 -0.565 . . . . 0.31 111.347 -176.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 572' ' ' MET . . . . . 0.498 ' CE ' ' HA3' ' A' ' 545' ' ' GLY . 17.4 ptp -68.42 -46.25 70.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.459 -0.337 . . . . 0.62 110.771 -176.807 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 573' ' ' VAL . . . . . 0.483 HG11 ' HG2' ' A' ' 592' ' ' MET . 94.2 t -66.91 -37.06 78.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.607 -0.269 . . . . 0.21 111.37 -176.494 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -58.89 -37.59 76.94 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.638 -0.425 . . . . 1.9 110.008 176.082 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 60.8 t80 -69.26 -49.74 53.33 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.218 -0.446 . . . . 0.52 110.744 173.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 576' ' ' TYR . . . . . 0.474 ' CB ' ' HB ' ' A' ' 590' ' ' ILE . 21.8 m-85 -74.52 -16.76 60.82 Favored 'General case' 0 C--O 1.222 -0.369 0 N-CA-C 113.237 0.829 . . . . 0.34 113.237 -171.401 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -79.75 -26.96 40.57 Favored 'General case' 0 C--N 1.315 -0.894 0 C-N-CA 119.95 -0.7 . . . . 1.84 110.861 175.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -97.63 -38.98 9.32 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.21 0.529 . . . . 2.07 110.906 176.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -127.36 82.33 68.41 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-N 115.798 -0.637 . . . . 2.07 109.609 174.197 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_exo -71.68 160.08 49.16 Favored 'Trans proline' 0 C--O 1.233 0.259 0 C-N-CA 123.432 2.755 . . . . 0.19 112.654 -176.036 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 581' ' ' ALA . . . . . 0.456 ' HB1' HD22 ' A' ' 540' ' ' LEU . . . -93.03 152.85 19.05 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.175 -0.466 . . . . 0.2 110.348 -175.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 582' ' ' ILE . . . . . 0.478 HG12 ' HG2' ' A' ' 587' ' ' LYS . 63.7 mt -116.15 133.27 63.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 N-CA-C 112.286 0.476 . . . . 0.54 112.286 -170.782 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 583' ' ' ILE . . . . . 0.458 HD12 HD11 ' A' ' 588' ' ' LEU . 29.7 mt -122.64 121.94 64.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.093 -0.503 . . . . 0.73 110.084 169.618 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 584' ' ' ASN . . . . . 0.458 ' ND2' ' HB3' ' A' ' 531' ' ' SER . 5.2 m-20 59.5 36.85 23.06 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 116.378 -0.373 . . . . 1.46 111.731 177.61 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 80.72 -0.53 85.96 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.662 -0.78 . . . . 0.67 112.887 178.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -102.25 127.23 49.31 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.845 -0.428 . . . . 1.93 109.845 -179.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 587' ' ' LYS . . . . . 0.478 ' HG2' HG12 ' A' ' 582' ' ' ILE . 99.4 mttt -82.02 113.21 19.76 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.04 0.447 . . . . 2.12 110.573 -178.514 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 588' ' ' LEU . . . . . 0.508 HD12 ' CD1' ' A' ' 540' ' ' LEU . 38.4 mt -86.67 125.02 33.57 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.812 -0.631 . . . . 0.28 110.21 -179.79 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 39.4 tp -83.39 109.52 17.38 Favored 'General case' 0 C--N 1.31 -1.14 0 N-CA-C 108.541 -0.911 . . . . 0.38 108.541 174.293 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 590' ' ' ILE . . . . . 0.474 ' HB ' ' CB ' ' A' ' 576' ' ' TYR . 45.9 mt -95.15 116.21 36.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 N-CA-C 108.698 -0.853 . . . . 0.17 108.698 179.199 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 80.0 mtp180 -124.37 157.62 34.62 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.94 -0.573 . . . . 3.0 111.913 -169.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 592' ' ' MET . . . . . 0.483 ' HG2' HG11 ' A' ' 573' ' ' VAL . 0.4 OUTLIER -72.0 127.07 31.4 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 108.612 -0.885 . . . . 0.33 108.612 171.738 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 13.1 t -84.27 131.31 34.74 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.503 -0.479 . . . . 1.04 111.434 -174.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 17.5 m -98.89 -10.18 23.19 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.5 -0.773 . . . . 1.6 109.696 173.393 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 73.0 mtt180 -81.64 -40.42 22.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.69 -0.687 . . . . 2.94 110.741 -177.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -116.3 137.11 52.42 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.081 0.467 . . . . 0.93 110.568 176.349 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 597' ' ' LYS . . . . . 0.478 ' C ' ' HD3' ' A' ' 597' ' ' LYS . 13.7 tmtt? -89.58 -41.21 12.12 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.556 -0.747 . . . . 3.4 109.432 176.004 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 598' ' ' GLU . . . . . 0.432 ' HA ' ' OE2' ' A' ' 562' ' ' GLU . 11.3 pt-20 -154.08 146.52 23.99 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.642 -0.708 . . . . 2.02 110.174 -179.348 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 599' ' ' LEU . . . . . 0.495 HD22 HD12 ' A' ' 551' ' ' ILE . 60.2 mt -91.87 126.73 37.06 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.359 -0.382 . . . . 1.02 110.338 177.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 80.9 mm-40 -126.28 87.92 2.75 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.216 -0.447 . . . . 2.87 109.936 174.635 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 601' ' ' LEU . . . . . 0.421 HD21 HG12 ' A' ' 551' ' ' ILE . 63.8 mt -67.65 151.42 47.31 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.781 -0.645 . . . . 1.47 111.009 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 53.0 tttp -72.18 -47.63 49.3 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.231 -0.895 . . . . 5.4 110.275 179.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 50.5 mtmt -106.14 116.87 58.74 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 115.633 -0.712 . . . . 5.81 110.149 -178.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 604' ' ' PRO . . . . . 0.544 ' HA ' ' SD ' ' A' ' 512' ' ' MET . 23.3 Cg_exo -65.21 88.39 0.19 Allowed 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.912 2.408 . . . . 6.24 111.858 177.266 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 605' ' ' GLY . . . . . . . . . . . . . . . -79.19 -65.91 1.75 Allowed Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.984 -0.627 . . . . 6.9 112.71 -178.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -67.39 -59.43 3.4 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.735 0.302 . . . . 8.87 110.696 -179.111 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 28.9 m-80 -92.97 77.34 4.71 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 110.118 -0.327 . . . . 9.21 110.118 176.155 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 49.1 t -58.31 -55.41 22.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 121.261 0.553 . . . . 9.63 109.738 178.452 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -114.28 -66.81 1.05 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.453 -0.794 . . . . 9.47 109.473 173.174 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -165.17 113.54 1.02 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.984 -0.553 . . . . 9.11 110.774 178.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 69.8 mt -73.79 99.51 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 108.857 -0.794 . . . . 8.31 108.857 173.394 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 612' ' ' ILE . . . . . . . . . . . . . 62.7 mt -76.77 73.81 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 122.266 1.031 . . . . 8.86 111.483 -171.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 613' ' ' GLN . . . . . 0.607 ' HA ' HE21 ' A' ' 613' ' ' GLN . 0.0 OUTLIER -145.62 -43.98 0.21 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 113.841 -1.527 . . . . 10.28 108.267 172.902 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -133.37 81.31 1.92 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.08 -0.964 . . . . 10.41 109.817 177.279 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 615' ' ' ILE . . . . . 0.44 ' HA ' ' NE ' ' A' ' 515' ' ' ARG . 9.2 pt -129.95 44.14 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.334 0 CA-C-N 114.989 -1.005 . . . . 8.61 111.051 -177.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 51.3 m-70 -62.49 143.82 56.71 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.064 -0.516 . . . . 6.75 110.833 -179.558 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 47.0 m 74.24 -59.12 0.56 Allowed 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 123.875 0.87 . . . . 6.99 112.223 178.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 618' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -73.43 -30.7 63.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.719 0.295 . . . . 9.26 110.639 -177.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 53.4 mtp180 64.99 -171.99 0.18 Allowed 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.31 -0.859 . . . . 12.9 111.817 178.293 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 620' ' ' GLU . . . . . 0.412 ' N ' HD12 ' A' ' 615' ' ' ILE . 10.2 pt-20 -73.57 177.23 5.49 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.19 0.519 . . . . 11.34 110.836 178.139 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 621' ' ' ARG . . . . . 0.517 ' NE ' ' HA ' ' A' ' 621' ' ' ARG . 3.6 mmp_? . . . . . 0 C--O 1.246 0.921 0 CA-C-O 118.511 -0.756 . . . . 11.46 109.625 177.588 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.799 0 N-CA-C 112.354 -0.298 . . . . 6.72 112.354 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . -84.02 65.01 8.48 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.132 0.491 . . . . 5.43 110.823 -178.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 86.3 mtp -87.61 -0.14 56.45 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.413 0.625 . . . . 6.23 109.935 178.234 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -115.96 -171.26 1.95 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.362 -0.836 . . . . 2.28 109.971 179.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 514' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 55.79 55.95 6.57 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 109.106 -0.701 . . . . 5.14 109.106 -178.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -62.76 -64.61 0.87 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.361 -0.836 . . . . 6.6 112.832 -166.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -80.16 62.83 4.46 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.319 0.488 . . . . 5.25 112.319 -175.028 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . 77.58 -82.27 1.19 Allowed Glycine 0 N--CA 1.449 -0.493 0 CA-C-N 115.901 -0.591 . . . . 3.29 113.262 174.128 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 518' ' ' ALA . . . . . . . . . . . . . . . -81.68 -82.53 0.13 Allowed 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 111.523 0.194 . . . . 2.38 111.523 -175.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 519' ' ' GLY . . . . . 0.41 ' H ' ' HB ' ' A' ' 566' ' ' THR . . . 78.16 144.43 2.37 Favored Glycine 0 CA--C 1.518 0.273 0 N-CA-C 111.097 -0.801 . . . . 1.58 111.097 -172.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 68.1 mtp180 -135.62 148.75 49.13 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 117.498 0.649 . . . . 2.39 111.691 -173.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 76.6 t -96.36 136.8 26.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.385 -0.825 . . . . 0.44 110.573 178.276 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 522' ' ' VAL . . . . . . . . . . . . . 59.9 t -106.47 135.07 46.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 116.103 -0.498 . . . . 0.25 110.409 177.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 523' ' ' HIS . . . . . 0.495 ' ND1' ' HA ' ' A' ' 593' ' ' SER . 2.1 p-80 -109.12 140.52 42.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.244 0.545 . . . . 1.75 110.927 177.366 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 524' ' ' ILE . . . . . 0.626 HD12 HG13 ' A' ' 537' ' ' VAL . 71.2 mt -115.66 138.54 45.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-N 115.428 -0.806 . . . . 0.28 110.495 -179.158 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 5.8 p -125.64 175.65 7.43 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.019 -0.537 . . . . 1.28 110.795 -179.459 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 69.69 29.23 4.24 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 123.693 0.62 . . . . 1.22 110.734 -177.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 527' ' ' LEU . . . . . 0.408 HD21 HD13 ' A' ' 588' ' ' LEU . 80.1 mt -89.03 121.64 69.48 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 116.015 -0.539 . . . . 0.6 110.877 -176.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 528' ' ' PRO . . . . . 0.593 ' HD2' ' SG ' ' A' ' 532' ' ' CYS . 31.4 Cg_endo -67.68 130.92 23.06 Favored 'Trans proline' 0 N--CA 1.46 -0.48 0 C-N-CA 121.896 1.731 . . . . 0.62 111.753 174.561 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -68.68 125.3 26.11 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.616 -0.72 . . . . 2.98 111.343 -178.03 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 86.52 -18.17 35.25 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.955 -0.641 . . . . 0.94 113.346 174.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 4.4 t -93.13 -34.48 13.63 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 117.133 0.466 . . . . 1.17 110.68 -177.468 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 532' ' ' CYS . . . . . 0.593 ' SG ' ' HD2' ' A' ' 528' ' ' PRO . 70.9 m -85.07 133.17 34.24 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.521 -0.308 . . . . 0.77 110.506 177.491 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 69.6 p -104.45 170.83 7.67 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.848 -0.426 . . . . 0.54 109.848 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 534' ' ' GLU . . . . . 0.4 ' HA ' HD11 ' A' ' 552' ' ' LEU . 31.4 mt-10 -54.7 -41.49 70.33 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.177 0.513 . . . . 1.32 109.783 177.305 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -61.79 -43.42 98.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.309 -0.86 . . . . 1.95 111.829 -175.527 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 536' ' ' ASP . . . . . 0.646 ' O ' ' HG ' ' A' ' 540' ' ' LEU . 26.2 m-20 -61.07 -48.63 80.83 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 121.151 0.5 . . . . 0.52 110.892 -175.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 537' ' ' VAL . . . . . 0.626 HG13 HD12 ' A' ' 524' ' ' ILE . 99.2 t -64.73 -44.97 96.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.357 -0.838 . . . . 0.25 110.69 -175.462 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 95.8 mt -64.01 -45.28 97.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.005 -0.543 . . . . 0.24 110.824 178.422 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 539' ' ' ASN . . . . . 0.647 ' O ' ' HD3' ' A' ' 543' ' ' PRO . 0.9 OUTLIER -64.48 -28.3 69.57 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.768 -0.651 . . . . 1.07 112.29 -176.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 540' ' ' LEU . . . . . 0.646 ' HG ' ' O ' ' A' ' 536' ' ' ASP . 53.6 mt -72.52 -32.41 66.11 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.318 0.488 . . . . 0.36 112.318 -177.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -79.69 -33.87 32.97 Favored Glycine 0 CA--C 1.518 0.235 0 C-N-CA 120.145 -1.026 . . . . 0.22 112.058 178.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 542' ' ' LEU . . . . . 0.409 HD12 ' HA ' ' A' ' 539' ' ' ASN . 68.2 mt -53.3 -39.89 75.24 Favored Pre-proline 0 CA--C 1.546 0.826 0 N-CA-C 115.526 1.676 . . . . 0.25 115.526 -175.186 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 543' ' ' PRO . . . . . 0.647 ' HD3' ' O ' ' A' ' 539' ' ' ASN . 96.8 Cg_exo -52.05 -35.28 60.93 Favored 'Trans proline' 0 C--N 1.356 0.952 0 C-N-CA 121.589 1.526 . . . . 0.19 115.07 -173.741 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 544' ' ' PHE . . . . . 0.408 ' HB2' ' HA ' ' A' ' 572' ' ' MET . 78.8 m-85 -110.96 -17.73 13.23 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.9 0.704 . . . . 0.35 112.9 178.411 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 545' ' ' GLY . . . . . 0.515 ' CA ' ' HB1' ' A' ' 568' ' ' ALA . . . -128.0 -151.12 7.49 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.797 -0.716 . . . . 1.14 113.264 179.132 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 546' ' ' LYS . . . . . 0.574 ' O ' ' HA ' ' A' ' 563' ' ' MET . 53.0 tttp -149.49 139.44 21.97 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 110.571 -0.159 . . . . 1.56 110.571 177.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 547' ' ' VAL . . . . . 0.475 ' HA ' ' O ' ' A' ' 562' ' ' GLU . 96.5 t -102.53 133.11 47.14 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.482 0 O-C-N 123.479 0.487 . . . . 0.25 111.658 -174.486 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 548' ' ' THR . . . . . 0.418 HG23 ' HB2' ' A' ' 564' ' ' ALA . 26.0 p -107.63 -34.44 7.0 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.608 -0.724 . . . . 0.37 111.951 176.207 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 49.9 m-80 -152.28 167.07 29.83 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 115.881 -0.6 . . . . 1.43 109.453 -178.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 550' ' ' TYR . . . . . 0.496 ' O ' HD21 ' A' ' 601' ' ' LEU . 52.1 p90 -147.12 149.68 33.5 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 121.0 -0.28 . . . . 0.47 110.723 176.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 551' ' ' ILE . . . . . 0.525 HD12 HD22 ' A' ' 599' ' ' LEU . 25.4 mt -133.67 121.75 41.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 108.971 -0.751 . . . . 0.37 108.971 172.272 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 552' ' ' LEU . . . . . 0.4 HD11 ' HA ' ' A' ' 534' ' ' GLU . 82.6 mt -113.08 111.4 22.08 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.145 -0.48 . . . . 0.45 111.827 -173.568 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 66.1 mtt -108.75 84.48 1.94 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.464 0.649 . . . . 1.18 109.634 173.13 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -68.64 -30.34 69.03 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.406 -0.815 . . . . 1.45 111.201 -175.088 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 64.9 p -64.76 -32.02 73.52 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.125 -0.488 . . . . 1.11 111.743 -177.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 69.9 p -100.62 12.79 36.65 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 111.737 0.273 . . . . 0.88 111.737 -177.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 58.01 43.05 21.71 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 116.015 -0.539 . . . . 2.35 110.842 179.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 558' ' ' GLN . . . . . 0.535 ' HA ' HE21 ' A' ' 558' ' ' GLN . 0.0 OUTLIER -142.33 149.49 39.53 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.174 0.511 . . . . 2.07 111.225 -176.768 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 559' ' ' ALA . . . . . 0.484 ' O ' ' HA ' ' A' ' 523' ' ' HIS . . . -137.18 143.75 42.55 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.906 -0.588 . . . . 0.27 109.646 173.516 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 560' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -120.68 126.62 50.67 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.632 -0.507 . . . . 0.33 109.632 178.274 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 14.6 tp -121.89 130.64 53.51 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.967 -0.561 . . . . 0.22 109.797 -176.374 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 562' ' ' GLU . . . . . 0.591 ' HB2' HD12 ' A' ' 599' ' ' LEU . 32.7 tt0 -99.47 137.52 37.86 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.387 -0.369 . . . . 1.85 110.255 -173.277 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 563' ' ' MET . . . . . 0.574 ' HA ' ' O ' ' A' ' 546' ' ' LYS . 20.3 mmt -115.84 135.45 53.99 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.427 0.632 . . . . 0.96 111.546 -172.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 564' ' ' ALA . . . . . 0.418 ' HB2' HG23 ' A' ' 548' ' ' THR . . . -61.76 -31.18 71.35 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-N 114.779 -1.101 . . . . 0.36 111.754 -177.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 50.0 m-85 -131.14 141.05 50.06 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.674 -0.694 . . . . 1.27 109.561 -175.457 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 566' ' ' THR . . . . . 0.41 ' HB ' ' H ' ' A' ' 519' ' ' GLY . 8.8 t -66.19 -30.78 71.32 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.934 -0.575 . . . . 0.52 110.351 178.652 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -66.67 -37.19 84.27 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.073 0.463 . . . . 1.91 109.999 175.074 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 568' ' ' ALA . . . . . 0.515 ' HB1' ' CA ' ' A' ' 545' ' ' GLY . . . -63.59 -45.27 91.13 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.47 -0.786 . . . . 0.28 110.519 -179.244 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -67.53 -46.58 72.41 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.651 -0.704 . . . . 0.19 111.654 -177.167 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 570' ' ' GLN . . . . . 0.511 ' O ' ' HG2' ' A' ' 574' ' ' GLN . 47.5 mt-30 -68.73 -45.39 71.64 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.238 -0.437 . . . . 1.21 111.28 -177.231 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -62.24 -42.83 99.67 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.338 -0.392 . . . . 0.31 111.568 -175.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 572' ' ' MET . . . . . 0.513 ' HB2' ' CE1' ' A' ' 576' ' ' TYR . 17.7 ptp -64.92 -45.1 87.25 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 120.758 -0.377 . . . . 0.62 110.344 -179.153 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 573' ' ' VAL . . . . . 0.686 HG13 ' HA ' ' A' ' 591' ' ' ARG . 65.2 t -66.91 -37.71 79.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.131 -0.486 . . . . 0.21 111.79 -175.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 574' ' ' GLN . . . . . 0.511 ' HG2' ' O ' ' A' ' 570' ' ' GLN . 15.8 mm100 -59.36 -37.45 77.91 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.662 -0.495 . . . . 1.9 109.662 177.736 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 58.4 t80 -69.34 -49.25 57.38 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.921 -0.582 . . . . 0.52 110.84 173.359 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 576' ' ' TYR . . . . . 0.513 ' CE1' ' HB2' ' A' ' 572' ' ' MET . 18.6 m-85 -74.88 -17.19 60.62 Favored 'General case' 0 C--O 1.222 -0.387 0 N-CA-C 113.184 0.809 . . . . 0.34 113.184 -171.62 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -78.91 -27.97 43.89 Favored 'General case' 0 C--N 1.317 -0.813 0 C-N-CA 119.929 -0.709 . . . . 1.84 110.487 174.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 39.7 mm-40 -96.66 -38.72 9.82 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.128 0.489 . . . . 2.07 110.819 179.281 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 58.8 mtpt -130.45 79.42 72.37 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-N 115.761 -0.654 . . . . 2.07 109.647 176.08 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_exo -69.36 160.35 50.14 Favored 'Trans proline' 0 C--O 1.233 0.231 0 C-N-CA 123.607 2.871 . . . . 0.19 113.188 -173.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -91.84 152.81 19.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.01 -0.541 . . . . 0.2 110.144 -176.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 44.8 mt -121.28 131.52 72.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 112.154 0.427 . . . . 0.54 112.154 -168.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 583' ' ' ILE . . . . . 0.534 HD12 HD11 ' A' ' 588' ' ' LEU . 38.1 mt -121.25 123.07 69.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.108 -0.496 . . . . 0.73 109.995 172.401 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 73.4 m-20 59.71 33.61 21.89 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 122.702 0.401 . . . . 1.46 111.305 177.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 79.01 3.25 88.07 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.397 -0.906 . . . . 0.67 112.375 -179.059 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -102.69 126.49 49.82 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.672 -0.492 . . . . 1.93 109.672 178.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 9.6 mtmp? -83.62 114.03 21.26 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.05 -0.523 . . . . 2.12 110.749 -175.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 588' ' ' LEU . . . . . 0.534 HD11 HD12 ' A' ' 583' ' ' ILE . 37.8 mt -87.83 124.25 33.44 Favored 'General case' 0 CA--C 1.505 -0.786 0 CA-C-N 115.674 -0.694 . . . . 0.28 109.793 179.234 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 32.4 tp -83.57 108.88 16.97 Favored 'General case' 0 N--CA 1.438 -1.037 0 N-CA-C 108.165 -1.05 . . . . 0.38 108.165 173.477 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 590' ' ' ILE . . . . . 0.507 ' HB ' ' CB ' ' A' ' 576' ' ' TYR . 38.6 mt -95.62 115.78 35.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 N-CA-C 108.314 -0.995 . . . . 0.17 108.314 179.549 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 591' ' ' ARG . . . . . 0.686 ' HA ' HG13 ' A' ' 573' ' ' VAL . 25.9 ptt180 -144.89 161.39 39.44 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.864 0.69 . . . . 3.0 112.864 -171.767 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 592' ' ' MET . . . . . 0.605 ' HG2' HG11 ' A' ' 573' ' ' VAL . 0.2 OUTLIER -64.16 129.16 38.88 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 114.899 -1.046 . . . . 0.33 111.219 -171.748 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 593' ' ' SER . . . . . 0.495 ' HA ' ' ND1' ' A' ' 523' ' ' HIS . 20.2 t -88.52 129.06 35.55 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.404 -0.362 . . . . 1.04 111.051 -178.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 20.0 m -96.02 -29.59 14.05 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.388 -0.369 . . . . 1.6 110.469 178.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -59.84 -40.8 89.73 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.12 -0.491 . . . . 2.94 111.084 -178.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -118.48 132.75 56.22 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.979 0.419 . . . . 0.93 110.388 -179.065 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 44.5 mmtm -91.82 -33.8 14.82 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.756 -0.831 . . . . 3.4 108.756 171.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -146.82 149.93 34.29 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.414 -1.266 . . . . 2.02 108.452 174.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 599' ' ' LEU . . . . . 0.591 HD12 ' HB2' ' A' ' 562' ' ' GLU . 92.9 mt -92.77 -52.68 4.5 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.913 -0.403 . . . . 1.02 109.913 -179.514 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 10.1 mm100 48.74 74.42 0.18 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.143 -0.935 . . . . 2.87 112.02 179.021 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 601' ' ' LEU . . . . . 0.496 HD21 ' O ' ' A' ' 550' ' ' TYR . 90.7 mt -56.21 145.69 25.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.077 -0.511 . . . . 1.47 109.881 175.255 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.59 -11.13 22.3 Favored 'General case' 0 N--CA 1.466 0.354 0 O-C-N 123.736 0.648 . . . . 5.4 112.499 -170.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 603' ' ' LYS . . . . . 0.432 ' HA ' ' HD3' ' A' ' 604' ' ' PRO . 5.9 mtpm? -69.89 109.81 5.42 Favored Pre-proline 0 C--N 1.327 -0.396 0 N-CA-C 109.257 -0.645 . . . . 5.81 109.257 177.661 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 604' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 603' ' ' LYS . 22.2 Cg_exo -64.76 -51.96 1.53 Allowed 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 123.034 2.489 . . . . 6.24 112.972 -174.288 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 605' ' ' GLY . . . . . . . . . . . . . . . -83.2 91.15 1.59 Allowed Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.712 -0.756 . . . . 6.9 112.616 -176.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -66.14 -41.97 89.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.525 0.679 . . . . 8.87 109.407 176.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -154.39 97.39 2.01 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.104 -0.953 . . . . 9.21 108.633 176.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 43.9 t -60.02 -36.29 66.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.097 -0.501 . . . . 9.63 112.26 -170.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -84.02 29.79 0.54 Allowed 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 111.773 0.286 . . . . 9.47 111.773 -178.061 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . 67.41 127.26 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 123.572 0.749 . . . . 9.11 112.25 178.262 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 59.2 mt -76.14 72.35 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.389 0.614 . . . . 8.31 110.222 178.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 612' ' ' ILE . . . . . . . . . . . . . 55.7 mt -96.24 70.21 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 121.685 0.755 . . . . 8.86 109.666 177.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -123.03 -43.72 2.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.458 -0.792 . . . . 10.28 111.329 -177.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 614' ' ' ASP . . . . . 0.456 ' OD2' ' HE2' ' A' ' 546' ' ' LYS . 14.3 m-20 -105.57 -61.74 1.45 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.496 -0.32 . . . . 10.41 111.164 -179.037 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 615' ' ' ILE . . . . . . . . . . . . . 4.1 mp 56.09 56.1 0.32 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.362 0 CA-C-O 121.973 0.892 . . . . 8.61 110.298 -176.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 29.3 m-70 -111.39 5.55 19.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.363 -0.835 . . . . 6.75 109.497 172.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 3.7 p 175.99 34.64 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 114.922 -1.035 . . . . 6.99 109.632 -178.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 618' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -127.55 149.1 50.3 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.776 -0.647 . . . . 9.26 110.386 -174.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 23.1 mmt180 -126.77 60.2 1.36 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.327 -0.397 . . . . 12.9 110.466 178.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 620' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 51.9 79.27 0.11 Allowed 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.508 -0.769 . . . . 11.34 111.228 179.586 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 28.7 mmm180 . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.382 -0.818 . . . . 11.46 110.024 -179.268 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.65 0 N-CA-C 111.777 -0.529 . . . . 6.72 111.777 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . -103.07 38.61 1.72 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.14 0.495 . . . . 5.43 110.37 178.422 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 64.8 mtt -80.7 92.67 6.04 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.022 -0.536 . . . . 6.23 110.271 -179.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -75.08 70.17 2.04 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.957 -0.565 . . . . 2.28 110.202 176.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 514' ' ' GLN . . . . . 0.557 ' C ' ' H ' ' A' ' 516' ' ' LYS . 67.2 mt-30 -69.26 -38.97 78.67 Favored 'General case' 0 CA--C 1.506 -0.72 0 CA-C-N 115.665 -0.698 . . . . 5.14 110.967 -178.473 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 515' ' ' ARG . . . . . 0.466 ' HB2' ' O ' ' A' ' 514' ' ' GLN . 87.0 mtm180 71.27 -26.54 0.17 Allowed 'General case' 0 N--CA 1.463 0.217 0 O-C-N 124.266 0.979 . . . . 6.6 110.713 -172.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 516' ' ' LYS . . . . . 0.557 ' H ' ' C ' ' A' ' 514' ' ' GLN . 29.0 mmmt 67.76 28.98 7.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 114.77 -1.105 . . . . 5.25 110.553 167.659 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . 113.22 -18.85 20.74 Favored Glycine 0 N--CA 1.439 -1.15 0 CA-C-N 115.303 -0.862 . . . . 3.29 111.494 -178.432 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 518' ' ' ALA . . . . . . . . . . . . . . . -152.05 -78.2 0.12 Allowed 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.831 -0.347 . . . . 2.38 111.892 -174.309 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 77.97 136.7 1.0 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 121.187 -0.53 . . . . 1.58 112.474 -178.049 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 48.0 mtt180 -138.62 160.08 40.49 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.725 0.297 . . . . 2.39 110.436 176.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 521' ' ' VAL . . . . . 0.413 HG23 ' HA ' ' A' ' 598' ' ' GLU . 90.5 t -112.95 135.12 53.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.73 -0.668 . . . . 0.44 110.234 176.106 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 522' ' ' VAL . . . . . 0.418 HG13 ' O ' ' A' ' 591' ' ' ARG . 73.7 t -102.31 133.97 44.41 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.088 0 CA-C-N 115.81 -0.632 . . . . 0.25 109.96 172.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -105.1 118.19 35.9 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.55 -0.75 . . . . 1.75 109.294 179.547 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 524' ' ' ILE . . . . . . . . . . . . . 72.5 mt -103.6 129.58 55.38 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.876 0 CA-C-N 115.45 -0.796 . . . . 0.28 109.595 178.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 3.1 p -126.93 175.06 8.34 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.893 -0.594 . . . . 1.28 110.635 -177.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 66.6 32.68 6.99 Favored 'General case' 0 N--CA 1.466 0.339 0 O-C-N 123.703 0.627 . . . . 1.22 109.939 -175.505 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 82.1 mt -84.66 122.68 74.83 Favored Pre-proline 0 C--N 1.322 -0.613 0 CA-C-N 115.645 -0.707 . . . . 0.6 110.194 -178.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 528' ' ' PRO . . . . . 0.405 ' HD2' ' SG ' ' A' ' 532' ' ' CYS . 19.8 Cg_endo -64.19 130.45 27.2 Favored 'Trans proline' 0 C--O 1.236 0.42 0 C-N-CA 121.896 1.731 . . . . 0.62 112.262 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -69.71 126.74 30.62 Favored 'General case' 0 N--CA 1.443 -0.823 0 CA-C-N 115.243 -0.89 . . . . 2.98 111.037 -179.21 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 75.79 15.65 81.18 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 121.047 -0.597 . . . . 0.94 112.682 177.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 9.2 m -121.45 -33.87 3.56 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 120.92 0.391 . . . . 1.17 111.455 -178.1 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 532' ' ' CYS . . . . . 0.405 ' SG ' ' HD2' ' A' ' 528' ' ' PRO . 39.7 m -84.95 137.14 33.28 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.317 -0.402 . . . . 0.77 111.137 -175.778 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 70.9 p -105.29 170.6 7.79 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.471 -0.566 . . . . 0.54 109.471 175.159 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -62.26 -38.65 90.11 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.147 0.498 . . . . 1.32 109.699 176.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -68.35 -44.44 75.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.503 -0.771 . . . . 1.95 111.995 -176.093 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 536' ' ' ASP . . . . . 0.504 ' O ' ' HG ' ' A' ' 540' ' ' LEU . 69.4 m-20 -60.64 -46.86 88.71 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 120.735 0.303 . . . . 0.52 111.31 -173.818 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 61.4 t -63.34 -43.78 98.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.006 -0.543 . . . . 0.25 110.795 -177.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 78.6 mt -66.82 -44.57 89.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 0.24 110.415 178.425 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 539' ' ' ASN . . . . . 0.507 ' O ' ' HD3' ' A' ' 543' ' ' PRO . 95.2 m-20 -61.58 -28.95 69.71 Favored 'General case' 0 C--O 1.225 -0.216 0 CA-C-N 115.892 -0.595 . . . . 1.07 111.678 -178.562 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 540' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' A' ' 536' ' ' ASP . 46.9 mt -74.56 -34.71 62.98 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 111.627 0.232 . . . . 0.36 111.627 178.091 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -75.34 -43.46 25.08 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.225 -0.988 . . . . 0.22 112.03 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 542' ' ' LEU . . . . . 0.479 ' HA ' ' O ' ' A' ' 545' ' ' GLY . 79.1 mt -47.54 -44.7 55.54 Favored Pre-proline 0 CA--C 1.546 0.818 0 N-CA-C 115.323 1.601 . . . . 0.25 115.323 -173.484 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 543' ' ' PRO . . . . . 0.507 ' HD3' ' O ' ' A' ' 539' ' ' ASN . 76.0 Cg_exo -50.47 -34.9 43.6 Favored 'Trans proline' 0 C--N 1.357 1.021 0 C-N-CA 122.01 1.806 . . . . 0.19 115.724 -171.698 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -110.91 -18.8 13.0 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 119.861 -0.736 . . . . 0.35 112.795 179.316 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 545' ' ' GLY . . . . . 0.479 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . -143.72 138.65 8.23 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.679 -0.772 . . . . 1.14 112.973 175.034 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 546' ' ' LYS . . . . . 0.41 ' O ' ' HA ' ' A' ' 563' ' ' MET . 59.4 tptt -78.95 142.54 36.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.645 0.259 . . . . 1.56 110.748 -177.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 547' ' ' VAL . . . . . 0.402 HG11 HD11 ' A' ' 561' ' ' LEU . 92.1 t -104.68 136.02 40.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.988 -0.551 . . . . 0.25 111.473 -175.563 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 39.2 p -96.41 -40.13 9.26 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.064 -0.516 . . . . 0.37 111.076 177.339 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -163.61 168.92 19.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.984 -0.553 . . . . 1.43 109.635 179.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 550' ' ' TYR . . . . . 0.435 ' O ' HD21 ' A' ' 601' ' ' LEU . 14.1 p90 -140.55 150.83 44.17 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.877 0.37 . . . . 0.47 111.325 -174.271 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 551' ' ' ILE . . . . . 0.456 HD12 HD22 ' A' ' 599' ' ' LEU . 50.8 mt -132.21 122.65 48.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 108.952 -0.758 . . . . 0.37 108.952 172.14 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 552' ' ' LEU . . . . . . . . . . . . . 91.0 mt -110.78 113.59 26.3 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 120.931 0.396 . . . . 0.45 111.442 -177.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 58.8 mtt -109.62 84.06 1.86 Allowed 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.247 -0.649 . . . . 1.18 109.247 171.314 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp -67.65 -30.91 70.59 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.0 -0.545 . . . . 1.45 110.722 -175.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 65.7 p -60.07 -27.93 67.38 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.458 -0.792 . . . . 1.11 111.401 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 81.8 p -98.58 8.0 45.45 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.488 -0.323 . . . . 0.88 110.965 -177.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 55.95 42.58 28.55 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.498 -0.774 . . . . 2.35 110.04 -176.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -144.41 149.76 36.6 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.547 -0.751 . . . . 2.07 110.838 -173.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -130.01 142.74 50.59 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 115.626 -0.715 . . . . 0.27 109.491 174.225 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 560' ' ' PHE . . . . . 0.431 ' HB3' HD21 ' A' ' 599' ' ' LEU . 83.8 m-85 -124.06 126.14 45.73 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.229 0.537 . . . . 0.33 109.614 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 561' ' ' LEU . . . . . 0.639 ' HB3' ' HE1' ' A' ' 563' ' ' MET . 15.7 tp -129.78 132.52 46.56 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 115.505 -0.771 . . . . 0.22 109.026 -173.359 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 562' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -100.11 128.53 46.17 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-O 121.14 0.495 . . . . 1.85 110.53 -177.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 563' ' ' MET . . . . . 0.692 ' HG2' ' SD ' ' A' ' 572' ' ' MET . 1.0 OUTLIER -103.45 137.66 41.24 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.574 -0.739 . . . . 0.96 110.311 -179.15 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -60.19 -38.12 82.31 Favored 'General case' 0 C--O 1.218 -0.559 0 CA-C-N 114.393 -1.276 . . . . 0.36 111.651 -174.226 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 565' ' ' TYR . . . . . 0.439 ' CE2' ' HE2' ' A' ' 516' ' ' LYS . 27.2 m-85 -117.42 141.16 48.67 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.537 -0.542 . . . . 1.27 109.537 -177.354 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 9.7 t -64.76 -34.88 79.37 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.217 -0.447 . . . . 0.52 110.398 179.132 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -67.87 -36.05 79.59 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.094 -0.503 . . . . 1.91 110.904 176.29 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 568' ' ' ALA . . . . . 0.447 ' HB1' ' HA2' ' A' ' 545' ' ' GLY . . . -62.65 -46.09 89.83 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.992 -0.549 . . . . 0.28 110.603 179.611 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . 0.858 ' HA ' ' SD ' ' A' ' 572' ' ' MET . . . -63.38 -45.23 92.07 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.688 -0.687 . . . . 0.19 111.522 -178.441 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 570' ' ' GLN . . . . . 0.536 ' O ' ' HG3' ' A' ' 574' ' ' GLN . 48.7 mt-30 -68.32 -45.9 71.71 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.147 -0.479 . . . . 1.21 111.193 -178.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -66.01 -35.52 80.79 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.527 -0.306 . . . . 0.31 111.506 -176.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 572' ' ' MET . . . . . 0.858 ' SD ' ' HA ' ' A' ' 569' ' ' ALA . 4.2 ptm -67.17 -45.94 75.47 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.84 -0.429 . . . . 0.62 109.84 179.243 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 573' ' ' VAL . . . . . 0.535 HG13 ' HA ' ' A' ' 591' ' ' ARG . 55.5 t -66.67 -36.92 78.42 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.444 0 CA-C-N 116.281 -0.418 . . . . 0.21 110.66 -178.815 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 574' ' ' GLN . . . . . 0.536 ' HG3' ' O ' ' A' ' 570' ' ' GLN . 55.7 mt-30 -58.55 -36.33 73.73 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.683 -0.488 . . . . 1.9 109.683 176.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 81.9 t80 -68.23 -50.35 54.63 Favored 'General case' 0 C--O 1.221 -0.412 0 CA-C-N 116.446 -0.343 . . . . 0.52 111.014 173.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 576' ' ' TYR . . . . . 0.426 ' CB ' ' HB ' ' A' ' 590' ' ' ILE . 28.1 m-85 -74.08 -16.08 61.04 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 112.329 0.492 . . . . 0.34 112.329 -173.362 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 67.4 mm-40 -74.99 -30.76 61.26 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 120.743 0.306 . . . . 1.84 111.192 173.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -98.5 -40.18 8.38 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.002 0.43 . . . . 2.07 111.295 177.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 60.0 mtpt -128.55 81.8 69.93 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-N 115.857 -0.61 . . . . 2.07 109.528 177.146 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -70.01 160.12 50.77 Favored 'Trans proline' 0 C--O 1.234 0.292 0 C-N-CA 123.548 2.832 . . . . 0.19 112.565 -174.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 581' ' ' ALA . . . . . 0.447 ' HB1' HD22 ' A' ' 540' ' ' LEU . . . -92.56 153.43 19.05 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.143 -0.48 . . . . 0.2 110.458 -175.172 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 60.7 mt -121.25 135.88 59.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 112.018 0.377 . . . . 0.54 112.018 -170.333 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 583' ' ' ILE . . . . . 0.425 HD12 HD11 ' A' ' 588' ' ' LEU . 24.4 mt -122.29 120.96 62.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 116.241 -0.436 . . . . 0.73 110.199 171.349 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 56.59 35.7 26.47 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 115.977 -0.556 . . . . 1.46 111.718 177.024 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 85.56 1.75 87.47 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.786 -0.721 . . . . 0.67 112.847 177.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -106.5 127.01 52.98 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.794 0.33 . . . . 1.93 110.348 179.041 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -81.23 118.52 22.66 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.104 -0.498 . . . . 2.12 110.303 -178.299 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 588' ' ' LEU . . . . . 0.425 HD11 HD12 ' A' ' 583' ' ' ILE . 37.6 mt -90.12 140.45 29.64 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.856 -0.611 . . . . 0.28 110.212 -179.553 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 59.0 tp -89.52 108.1 19.46 Favored 'General case' 0 C--N 1.312 -1.046 0 N-CA-C 108.621 -0.881 . . . . 0.38 108.621 171.146 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 590' ' ' ILE . . . . . 0.426 ' HB ' ' CB ' ' A' ' 576' ' ' TYR . 52.5 mt -97.17 114.3 33.81 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 N-CA-C 107.648 -1.242 . . . . 0.17 107.648 174.486 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 591' ' ' ARG . . . . . 0.535 ' HA ' HG13 ' A' ' 573' ' ' VAL . 12.4 ptm180 -137.95 163.56 31.22 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.185 0.516 . . . . 3.0 112.289 -172.368 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 592' ' ' MET . . . . . 0.524 ' HG2' HG11 ' A' ' 573' ' ' VAL . 0.1 OUTLIER -66.77 129.73 40.84 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.404 -0.816 . . . . 0.33 109.452 177.839 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 92.4 p -72.64 138.64 46.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.025 0.44 . . . . 1.04 110.17 179.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 14.0 p -98.66 -15.47 19.4 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 116.095 -0.502 . . . . 1.6 111.503 -178.151 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 51.2 mtm180 -107.34 -12.31 15.36 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 111.822 0.305 . . . . 2.94 111.822 -176.368 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 35.6 m-85 -122.57 133.43 54.55 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.945 0.402 . . . . 0.93 111.048 -176.256 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -92.66 -41.96 9.89 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.277 0.56 . . . . 3.4 109.55 172.116 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 598' ' ' GLU . . . . . 0.413 ' HA ' HG23 ' A' ' 521' ' ' VAL . 0.6 OUTLIER -152.87 163.29 40.04 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.131 -0.94 . . . . 2.02 109.026 178.103 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 599' ' ' LEU . . . . . 0.456 HD22 HD12 ' A' ' 551' ' ' ILE . 98.1 mt -92.69 -65.2 1.02 Allowed 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.986 -0.375 . . . . 1.02 109.986 179.435 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 51.82 79.98 0.1 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.829 -1.078 . . . . 2.87 110.757 -175.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 601' ' ' LEU . . . . . 0.435 HD21 ' O ' ' A' ' 550' ' ' TYR . 94.6 mt -44.13 133.03 5.41 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.704 -0.68 . . . . 1.47 110.936 179.569 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -76.45 60.16 1.55 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.098 -0.501 . . . . 5.4 111.586 -173.049 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -69.75 128.7 91.8 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 115.666 -0.697 . . . . 5.81 109.304 174.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 604' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -64.65 133.26 36.02 Favored 'Trans proline' 0 N--CA 1.463 -0.282 0 C-N-CA 122.585 2.19 . . . . 6.24 111.489 178.637 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 605' ' ' GLY . . . . . . . . . . . . . . . 78.95 88.23 0.47 Allowed Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 120.45 -0.881 . . . . 6.9 111.382 -176.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 68.5 mmtt -66.12 -28.9 69.15 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.951 0.405 . . . . 8.87 110.307 -176.52 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 22.1 p-10 -66.58 -31.07 71.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.593 -0.731 . . . . 9.21 110.47 177.411 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 21.6 t -74.88 -33.26 29.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.926 -0.579 . . . . 9.63 110.207 -179.542 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -88.04 3.8 47.57 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.873 -0.603 . . . . 9.47 111.16 -179.362 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . 69.46 109.34 0.05 Allowed 'General case' 0 N--CA 1.463 0.216 0 O-C-N 124.106 0.879 . . . . 9.11 111.597 -179.303 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 63.3 mt -81.44 79.86 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.533 0.683 . . . . 8.31 109.686 179.434 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 612' ' ' ILE . . . . . . . . . . . . . 59.5 mt -81.33 79.53 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.413 -0.812 . . . . 8.86 110.971 -176.08 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -107.13 -27.63 10.47 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.802 -0.635 . . . . 10.28 110.893 177.507 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 20.6 p-10 -95.02 -62.65 1.27 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.091 -0.504 . . . . 10.41 111.591 -174.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 615' ' ' ILE . . . . . . . . . . . . . 51.3 mm -89.42 98.17 7.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 120.945 0.403 . . . . 8.61 111.001 -176.158 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 34.7 m80 -101.3 -8.9 21.69 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.22 -0.446 . . . . 6.75 110.139 176.236 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 10.9 p -69.24 -29.06 66.91 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.322 0.582 . . . . 6.99 110.739 178.315 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 618' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -129.58 -178.05 4.52 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.373 -0.831 . . . . 9.26 109.789 -178.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 89.2 mtm180 -92.2 109.24 20.6 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 108.884 -0.784 . . . . 12.9 108.884 171.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 620' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 69.78 171.28 0.31 Allowed 'General case' 0 N--CA 1.463 0.197 0 O-C-N 123.918 0.762 . . . . 11.34 110.459 -175.091 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 7.7 ptp85 . . . . . 0 C--O 1.247 0.953 0 CA-C-O 118.568 -0.73 . . . . 11.46 110.515 -179.676 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.652 0 N-CA-C 112.031 -0.428 . . . . 6.72 112.031 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . -154.82 86.35 1.12 Allowed 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.725 -0.472 . . . . 5.43 109.725 177.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 1.5 mpt? -84.23 48.19 1.45 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.139 -0.482 . . . . 6.23 111.637 -174.254 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -136.75 135.81 38.4 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.929 0.395 . . . . 2.28 110.758 -179.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 514' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -70.23 -36.16 74.33 Favored 'General case' 0 CA--C 1.514 -0.441 0 CA-C-N 115.561 -0.745 . . . . 5.14 110.824 178.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 62.3 mtm180 64.29 -76.65 0.04 OUTLIER 'General case' 0 C--O 1.228 -0.048 0 O-C-N 124.255 0.972 . . . . 6.6 109.562 -171.611 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 516' ' ' LYS . . . . . 0.544 ' O ' ' HB3' ' A' ' 616' ' ' HIS . 68.0 mttm 44.51 -99.54 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.3 0 O-C-N 123.998 0.811 . . . . 5.25 112.529 176.153 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 517' ' ' GLY . . . . . 0.517 ' HA3' ' HA ' ' A' ' 565' ' ' TYR . . . -65.93 -32.32 82.29 Favored Glycine 0 N--CA 1.438 -1.198 0 C-N-CA 120.755 -0.736 . . . . 3.29 112.347 -175.708 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 518' ' ' ALA . . . . . . . . . . . . . . . 174.75 -39.79 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.256 0 O-C-N 123.681 0.283 . . . . 2.38 111.134 -178.473 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 519' ' ' GLY . . . . . 0.432 ' HA2' ' O ' ' A' ' 563' ' ' MET . . . 68.28 63.21 3.7 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.249 -0.977 . . . . 1.58 110.81 -171.073 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -97.6 161.01 13.97 Favored 'General case' 0 CA--C 1.514 -0.414 0 CA-C-O 120.745 0.307 . . . . 2.39 110.659 -177.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 521' ' ' VAL . . . . . 0.478 HG22 ' HG ' ' A' ' 599' ' ' LEU . 74.0 t -111.47 133.11 58.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.471 0.653 . . . . 0.44 111.728 -176.644 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 522' ' ' VAL . . . . . . . . . . . . . 84.5 t -106.7 135.25 45.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-N 114.861 -1.063 . . . . 0.25 108.983 173.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 4.2 p-80 -105.37 137.03 43.84 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.238 -0.585 . . . . 1.75 109.587 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 524' ' ' ILE . . . . . 0.619 HD12 HG13 ' A' ' 537' ' ' VAL . 74.1 mt -111.36 125.48 68.68 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.952 0 CA-C-N 115.588 -0.733 . . . . 0.28 110.191 179.34 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 525' ' ' CYS . . . . . 0.496 ' SG ' ' HB3' ' A' ' 589' ' ' LEU . 22.7 p -118.15 176.53 5.17 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.664 -0.698 . . . . 1.28 110.195 -178.523 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 526' ' ' ASN . . . . . 0.401 ' HB2' ' O ' ' A' ' 525' ' ' CYS . 18.7 m120 69.76 26.52 4.85 Favored 'General case' 0 N--CA 1.464 0.237 0 O-C-N 123.829 0.705 . . . . 1.22 110.349 -177.442 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 79.0 mt -81.81 121.72 79.6 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 115.764 -0.653 . . . . 0.6 111.485 -176.405 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 528' ' ' PRO . . . . . 0.49 ' HD2' ' SG ' ' A' ' 532' ' ' CYS . 45.9 Cg_endo -69.28 133.01 25.35 Favored 'Trans proline' 0 C--O 1.236 0.424 0 C-N-CA 122.875 2.384 . . . . 0.62 111.823 174.596 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -67.52 124.62 23.71 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.905 -0.589 . . . . 2.98 111.135 -177.214 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 73.15 5.96 67.51 Favored Glycine 0 CA--C 1.519 0.327 0 CA-C-N 116.131 -0.486 . . . . 0.94 113.703 174.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 23.6 t -104.9 -35.56 7.66 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 117.301 0.55 . . . . 1.17 110.613 -179.143 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 532' ' ' CYS . . . . . 0.49 ' SG ' ' HD2' ' A' ' 528' ' ' PRO . 76.5 m -85.91 141.96 29.19 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.371 -0.377 . . . . 0.77 110.17 176.089 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 46.8 p -105.39 170.02 8.13 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.81 -0.441 . . . . 0.54 109.81 178.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -55.34 -44.13 75.62 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.23 0.538 . . . . 1.32 109.845 175.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.27 -43.11 87.37 Favored 'General case' 0 C--O 1.221 -0.436 0 CA-C-N 115.289 -0.869 . . . . 1.95 111.641 -175.139 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 536' ' ' ASP . . . . . 0.6 ' O ' ' HG ' ' A' ' 540' ' ' LEU . 15.7 m-20 -58.55 -46.81 86.06 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.881 -0.328 . . . . 0.52 111.356 -177.26 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 537' ' ' VAL . . . . . 0.619 HG13 HD12 ' A' ' 524' ' ' ILE . 48.6 t -62.36 -45.48 98.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.961 -0.563 . . . . 0.25 110.734 -177.6 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 88.9 mt -67.26 -44.96 87.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.915 -0.584 . . . . 0.24 110.925 179.204 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 539' ' ' ASN . . . . . 0.535 ' O ' ' HD3' ' A' ' 543' ' ' PRO . 5.8 m-20 -62.93 -28.28 69.96 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.495 -0.775 . . . . 1.07 111.832 -177.43 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 540' ' ' LEU . . . . . 0.6 ' HG ' ' O ' ' A' ' 536' ' ' ASP . 31.6 mt -66.25 -38.93 89.03 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 111.74 0.274 . . . . 0.36 111.74 178.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -74.89 -39.18 39.46 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.28 -0.962 . . . . 0.22 112.455 -177.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 542' ' ' LEU . . . . . 0.524 ' HA ' ' O ' ' A' ' 545' ' ' GLY . 79.1 mt -48.72 -46.62 72.41 Favored Pre-proline 0 CA--C 1.543 0.707 0 N-CA-C 114.969 1.47 . . . . 0.25 114.969 -172.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 543' ' ' PRO . . . . . 0.535 ' HD3' ' O ' ' A' ' 539' ' ' ASN . 69.7 Cg_exo -49.74 -33.75 33.28 Favored 'Trans proline' 0 C--N 1.358 1.027 0 C-N-CA 122.191 1.928 . . . . 0.19 115.374 -173.29 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 544' ' ' PHE . . . . . 0.503 ' HB2' ' CB ' ' A' ' 572' ' ' MET . 93.6 m-85 -111.32 -17.98 13.03 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 113.012 0.745 . . . . 0.35 113.012 178.809 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 545' ' ' GLY . . . . . 0.524 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . -149.67 141.74 9.13 Favored Glycine 0 CA--C 1.522 0.503 0 C-N-CA 120.912 -0.661 . . . . 1.14 112.935 177.004 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 546' ' ' LYS . . . . . 0.434 ' O ' ' HA ' ' A' ' 563' ' ' MET . 59.1 tptt -74.41 135.59 42.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.758 0.313 . . . . 1.56 111.377 -178.609 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 547' ' ' VAL . . . . . 0.481 ' HA ' ' O ' ' A' ' 562' ' ' GLU . 89.3 t -91.68 136.08 25.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.646 -0.706 . . . . 0.25 110.961 179.128 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 31.7 p -104.31 -38.26 6.92 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.771 -0.65 . . . . 0.37 111.505 176.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 60.3 m-80 -150.12 165.79 31.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.011 -0.54 . . . . 1.43 110.248 -176.142 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 550' ' ' TYR . . . . . 0.423 ' O ' HD21 ' A' ' 601' ' ' LEU . 18.2 p90 -146.83 149.66 33.73 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 110.005 -0.368 . . . . 0.47 110.005 173.451 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 551' ' ' ILE . . . . . 0.404 HD12 HD22 ' A' ' 599' ' ' LEU . 34.6 mt -137.59 127.35 36.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 109.078 -0.712 . . . . 0.37 109.078 173.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 552' ' ' LEU . . . . . . . . . . . . . 53.4 mt -110.18 110.78 21.75 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 116.111 -0.495 . . . . 0.45 111.179 -175.107 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 26.3 mmt -96.04 84.11 3.76 Favored 'General case' 0 N--CA 1.445 -0.694 0 N-CA-C 108.865 -0.791 . . . . 1.18 108.865 175.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -68.6 -29.42 67.94 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.229 -0.896 . . . . 1.45 109.804 -179.455 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 61.2 p -63.16 -31.48 72.63 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.19 -0.914 . . . . 1.11 111.878 178.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 82.8 p -105.22 3.15 29.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.872 0.367 . . . . 0.88 110.574 -178.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 56.92 41.52 27.71 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.175 -0.92 . . . . 2.35 110.87 -176.446 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 -137.94 150.07 46.73 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.938 -0.574 . . . . 2.07 110.242 -174.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -129.95 143.79 50.98 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.724 0.297 . . . . 0.27 111.032 -178.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 560' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -126.18 132.99 51.68 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.866 -0.607 . . . . 0.33 110.131 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 561' ' ' LEU . . . . . 0.489 ' HB3' ' HE1' ' A' ' 563' ' ' MET . 18.1 tp -127.16 138.7 53.2 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.049 -0.523 . . . . 0.22 109.971 -175.716 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 562' ' ' GLU . . . . . 0.481 ' O ' ' HA ' ' A' ' 547' ' ' VAL . 30.8 tt0 -107.63 138.85 43.11 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.481 0.182 . . . . 1.85 110.966 -175.442 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 563' ' ' MET . . . . . 0.493 ' HE2' ' SD ' ' A' ' 572' ' ' MET . 1.2 mpt? -116.33 142.86 46.3 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.323 0.582 . . . . 0.96 111.779 -177.388 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -67.24 -23.24 65.69 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.075 -0.966 . . . . 0.36 112.317 -175.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 565' ' ' TYR . . . . . 0.517 ' HA ' ' HA3' ' A' ' 517' ' ' GLY . 88.0 m-85 -133.91 146.35 50.44 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 116.532 -0.303 . . . . 1.27 110.187 -179.121 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 4.1 t -65.39 -39.63 92.48 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.221 -0.445 . . . . 0.52 110.582 179.409 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -67.85 -31.66 71.63 Favored 'General case' 0 C--O 1.223 -0.291 0 CA-C-N 116.662 -0.245 . . . . 1.91 110.509 176.281 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 568' ' ' ALA . . . . . 0.437 ' HB1' ' CA ' ' A' ' 545' ' ' GLY . . . -62.11 -45.14 94.8 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.012 0.434 . . . . 0.28 109.923 177.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . 0.457 ' O ' ' HG2' ' A' ' 572' ' ' MET . . . -68.09 -46.3 71.37 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.782 -0.644 . . . . 0.19 111.384 178.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 570' ' ' GLN . . . . . 0.454 ' O ' ' HG3' ' A' ' 574' ' ' GLN . 50.4 mt-30 -68.51 -45.47 72.19 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.36 -0.382 . . . . 1.21 111.604 -176.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -62.18 -39.86 94.11 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.523 0.201 . . . . 0.31 111.393 -176.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 572' ' ' MET . . . . . 0.503 ' CB ' ' HB2' ' A' ' 544' ' ' PHE . 15.5 ptp -67.06 -43.45 82.65 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 109.678 -0.49 . . . . 0.62 109.678 179.413 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 573' ' ' VAL . . . . . 0.761 HG13 ' HA ' ' A' ' 591' ' ' ARG . 67.8 t -66.62 -37.04 78.72 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.666 0 CA-C-N 115.99 -0.55 . . . . 0.21 111.169 -178.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 574' ' ' GLN . . . . . 0.454 ' HG3' ' O ' ' A' ' 570' ' ' GLN . 55.1 mt-30 -58.56 -36.76 74.44 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.643 -0.502 . . . . 1.9 109.643 175.494 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 61.8 t80 -68.71 -50.05 53.98 Favored 'General case' 0 C--O 1.217 -0.638 0 CA-C-N 115.987 -0.551 . . . . 0.52 110.8 173.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 576' ' ' TYR . . . . . 0.48 ' CB ' ' HB ' ' A' ' 590' ' ' ILE . 21.1 m-85 -76.59 -16.95 59.46 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 112.95 0.722 . . . . 0.34 112.95 -172.723 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 16.7 mm-40 -74.14 -29.64 61.9 Favored 'General case' 0 C--N 1.319 -0.757 0 O-C-N 122.215 -0.303 . . . . 1.84 110.465 172.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -98.34 -40.52 8.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.951 0.405 . . . . 2.07 111.74 178.426 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 57.2 mtpt -131.81 80.76 64.96 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 115.91 -0.586 . . . . 2.07 109.842 179.292 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 15.7 Cg_exo -70.35 159.43 53.0 Favored 'Trans proline' 0 CA--C 1.532 0.409 0 C-N-CA 123.577 2.851 . . . . 0.19 112.451 -174.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -93.15 149.2 21.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.325 -0.398 . . . . 0.2 111.055 -172.221 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 582' ' ' ILE . . . . . 0.405 ' HA ' ' O ' ' A' ' 586' ' ' GLU . 61.3 mt -112.25 131.33 64.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.378 -0.374 . . . . 0.54 111.508 -175.015 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 583' ' ' ILE . . . . . 0.541 HD13 ' HB3' ' A' ' 536' ' ' ASP . 41.7 mt -122.23 117.91 53.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.291 -0.413 . . . . 0.73 110.437 173.146 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 53.72 41.83 31.97 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.854 -0.612 . . . . 1.46 111.624 177.057 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 86.33 -1.37 87.45 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.872 -0.68 . . . . 0.67 113.337 177.326 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 586' ' ' GLU . . . . . 0.405 ' O ' ' HA ' ' A' ' 582' ' ' ILE . 70.5 mm-40 -102.51 126.23 49.49 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 117.139 0.47 . . . . 1.93 110.516 178.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -81.51 107.85 14.61 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.822 -0.436 . . . . 2.12 109.822 176.012 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 588' ' ' LEU . . . . . 0.539 HD11 HD12 ' A' ' 583' ' ' ILE . 37.8 mt -87.92 129.91 35.09 Favored 'General case' 0 CA--C 1.507 -0.708 0 CA-C-N 116.183 -0.462 . . . . 0.28 110.339 -179.192 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 589' ' ' LEU . . . . . 0.496 ' HB3' ' SG ' ' A' ' 525' ' ' CYS . 48.0 tp -87.62 108.76 19.23 Favored 'General case' 0 C--N 1.311 -1.08 0 N-CA-C 108.85 -0.796 . . . . 0.38 108.85 173.399 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 590' ' ' ILE . . . . . 0.48 ' HB ' ' CB ' ' A' ' 576' ' ' TYR . 45.1 mt -97.29 115.52 37.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 N-CA-C 108.334 -0.987 . . . . 0.17 108.334 177.222 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 591' ' ' ARG . . . . . 0.761 ' HA ' HG13 ' A' ' 573' ' ' VAL . 7.7 ptp180 -147.95 166.26 28.22 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 112.635 0.606 . . . . 3.0 112.635 -175.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 592' ' ' MET . . . . . 0.581 ' HG2' HG11 ' A' ' 573' ' ' VAL . 0.2 OUTLIER -61.7 133.87 56.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.239 -0.891 . . . . 0.33 110.249 -173.232 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 22.6 t -87.1 126.77 34.99 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-O 120.879 0.371 . . . . 1.04 110.372 179.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 39.5 p -99.29 -7.5 26.28 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.44 0.638 . . . . 1.6 110.074 175.397 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 36.3 mmt180 -87.61 -40.27 14.35 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 115.388 -0.823 . . . . 2.94 111.04 -179.259 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -117.47 133.24 56.18 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.059 0.457 . . . . 0.93 110.795 178.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -92.15 -34.96 14.12 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.52 -0.764 . . . . 3.4 110.865 175.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -149.23 144.75 26.73 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.572 -0.74 . . . . 2.02 110.263 -177.081 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 599' ' ' LEU . . . . . 0.478 ' HG ' HG22 ' A' ' 521' ' ' VAL . 87.8 mt -95.13 -62.2 1.35 Allowed 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.388 -0.597 . . . . 1.02 109.388 173.153 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 600' ' ' GLN . . . . . 0.594 ' O ' ' HG2' ' A' ' 603' ' ' LYS . 32.3 mt-30 42.81 86.58 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.485 0 O-C-N 124.569 1.168 . . . . 2.87 112.106 -177.39 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 601' ' ' LEU . . . . . 0.423 HD21 ' O ' ' A' ' 550' ' ' TYR . 52.1 mt -62.3 147.04 49.4 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 110.342 -0.244 . . . . 1.47 110.342 -179.388 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp 60.19 56.41 3.3 Favored 'General case' 0 CA--C 1.52 -0.206 0 N-CA-C 108.812 -0.811 . . . . 5.4 108.812 -169.28 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 603' ' ' LYS . . . . . 0.594 ' HG2' ' O ' ' A' ' 600' ' ' GLN . 18.4 mtpp -55.3 117.42 14.61 Favored Pre-proline 0 C--O 1.235 0.291 0 CA-C-N 115.093 -0.958 . . . . 5.81 111.97 -172.335 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 604' ' ' PRO . . . . . 0.468 ' CB ' HG22 ' A' ' 608' ' ' VAL . 69.2 Cg_endo -76.59 92.81 1.07 Allowed 'Trans proline' 0 N--CA 1.456 -0.708 0 C-N-CA 122.602 2.202 . . . . 6.24 111.818 177.489 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 605' ' ' GLY . . . . . . . . . . . . . . . -69.23 81.46 0.26 Allowed Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 121.048 -0.596 . . . . 6.9 112.341 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt 62.31 30.69 17.52 Favored 'General case' 0 C--O 1.234 0.252 0 C-N-CA 122.886 0.474 . . . . 8.87 110.989 -179.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -153.48 99.18 2.31 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.074 -0.512 . . . . 9.21 111.164 -179.364 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 608' ' ' VAL . . . . . 0.468 HG22 ' CB ' ' A' ' 604' ' ' PRO . 18.3 t -121.71 -78.26 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 N-CA-C 108.714 -0.847 . . . . 9.63 108.714 172.222 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 609' ' ' ALA . . . . . 0.498 ' HB1' ' OXT' ' A' ' 621' ' ' ARG . . . -155.0 -54.28 0.09 Allowed 'General case' 0 N--CA 1.44 -0.944 0 CA-C-N 114.746 -1.115 . . . . 9.47 108.027 175.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 610' ' ' ALA . . . . . 0.521 ' O ' HG13 ' A' ' 612' ' ' ILE . . . -158.38 103.54 1.79 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.304 -1.317 . . . . 9.11 108.577 173.794 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 65.5 mt -64.16 102.93 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.414 0.626 . . . . 8.31 111.202 -173.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 612' ' ' ILE . . . . . 0.521 HG13 ' O ' ' A' ' 610' ' ' ALA . 60.1 mt -119.78 87.97 1.17 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.808 0 CA-C-N 115.216 -0.902 . . . . 8.86 109.783 179.648 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -85.0 -18.26 35.02 Favored 'General case' 0 C--N 1.323 -0.543 0 CA-C-N 116.014 -0.539 . . . . 10.28 110.413 -179.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -64.93 -35.69 81.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.0 -0.545 . . . . 10.41 110.563 178.03 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 615' ' ' ILE . . . . . 0.427 ' H ' HG22 ' A' ' 612' ' ' ILE . 63.4 mt -96.14 115.71 36.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 109.311 -0.626 . . . . 8.61 109.311 175.653 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 616' ' ' HIS . . . . . 0.544 ' HB3' ' O ' ' A' ' 516' ' ' LYS . 31.4 m-70 -80.16 -36.48 35.05 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.956 -0.565 . . . . 6.75 111.056 -175.454 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 50.8 m -86.11 -176.16 5.83 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.855 -0.611 . . . . 6.99 110.555 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 618' ' ' GLN . . . . . . . . . . . . . 57.9 mt-30 64.39 -179.37 0.17 Allowed 'General case' 0 C--O 1.235 0.32 0 CA-C-O 121.493 0.663 . . . . 9.26 111.945 176.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 70.6 mtp180 -122.56 147.47 46.35 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.255 -0.884 . . . . 12.9 109.938 177.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 620' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -77.87 121.83 24.65 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.097 -0.501 . . . . 11.34 109.864 179.388 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 621' ' ' ARG . . . . . 0.498 ' OXT' ' HB1' ' A' ' 609' ' ' ALA . 28.6 mmm180 . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.471 -0.776 . . . . 11.46 110.588 -178.426 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.671 0 N-CA-C 112.427 -0.269 . . . . 6.72 112.427 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . -146.74 92.5 2.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.042 0.449 . . . . 5.43 110.921 179.326 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 22.0 mmt -101.71 -20.1 15.11 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.317 0.579 . . . . 6.23 110.159 177.263 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 513' ' ' ALA . . . . . 0.553 ' HB1' ' HB ' ' A' ' 548' ' ' THR . . . -130.19 -172.28 2.75 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.465 -0.788 . . . . 2.28 110.447 -175.802 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 514' ' ' GLN . . . . . 0.464 ' NE2' ' HB2' ' A' ' 598' ' ' GLU . 69.5 mt-30 59.8 39.32 20.83 Favored 'General case' 0 N--CA 1.465 0.309 0 O-C-N 123.732 0.645 . . . . 5.14 110.711 175.196 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 35.2 mmt180 -54.87 -45.48 74.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.637 -0.711 . . . . 6.6 112.361 -173.292 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 516' ' ' LYS . . . . . 0.465 ' C ' ' H ' ' A' ' 518' ' ' ALA . 74.3 mmtt -76.31 -10.51 59.46 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.026 0.38 . . . . 5.25 112.026 -176.598 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . 73.06 -26.94 0.79 Allowed Glycine 0 CA--C 1.52 0.353 0 C-N-CA 121.143 -0.551 . . . . 3.29 112.787 -178.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 518' ' ' ALA . . . . . 0.549 ' O ' ' HB ' ' A' ' 566' ' ' THR . . . -97.76 -3.72 38.47 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 122.809 0.443 . . . . 2.38 110.563 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -47.45 133.22 15.0 Favored Glycine 0 C--O 1.229 -0.188 0 CA-C-N 115.463 -0.79 . . . . 1.58 112.035 177.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 78.2 mtp180 -113.45 163.79 14.44 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.181 0.515 . . . . 2.39 111.34 -173.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 81.4 t -98.72 135.09 35.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.032 -0.985 . . . . 0.44 110.475 177.28 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 522' ' ' VAL . . . . . 0.44 HG22 ' HE3' ' A' ' 592' ' ' MET . 95.1 t -101.68 133.8 44.02 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.853 0 N-CA-C 109.093 -0.706 . . . . 0.25 109.093 173.494 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -106.92 129.42 54.74 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.5 -0.556 . . . . 1.75 109.5 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 524' ' ' ILE . . . . . 0.658 HD12 HG13 ' A' ' 537' ' ' VAL . 74.6 mt -107.36 129.21 61.59 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.958 0 CA-C-N 115.793 -0.64 . . . . 0.28 109.863 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 7.6 p -121.72 174.9 6.54 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.642 -0.708 . . . . 1.28 111.094 -174.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 16.9 m120 66.7 33.97 6.01 Favored 'General case' 0 N--CA 1.463 0.22 0 O-C-N 123.738 0.649 . . . . 1.22 110.555 178.327 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 85.2 mt -90.32 120.99 69.04 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 115.457 -0.792 . . . . 0.6 111.176 -177.122 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 528' ' ' PRO . . . . . 0.762 ' HD2' ' SG ' ' A' ' 532' ' ' CYS . 12.6 Cg_exo -70.21 131.04 19.8 Favored 'Trans proline' 0 C--O 1.237 0.431 0 C-N-CA 122.542 2.161 . . . . 0.62 111.926 171.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.42 140.33 54.13 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.374 -0.375 . . . . 2.98 110.772 175.333 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 83.73 -18.45 20.29 Favored Glycine 0 N--CA 1.448 -0.52 0 CA-C-N 115.906 -0.588 . . . . 0.94 113.513 177.13 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 17.8 m -104.74 -36.8 7.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 117.325 0.563 . . . . 1.17 110.831 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 532' ' ' CYS . . . . . 0.762 ' SG ' ' HD2' ' A' ' 528' ' ' PRO . 73.5 m -87.8 124.98 34.18 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.753 0.311 . . . . 0.77 110.214 174.349 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 59.2 p -108.37 171.13 7.59 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.375 -0.375 . . . . 0.54 110.227 178.532 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -52.21 -46.94 65.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.032 0.444 . . . . 1.32 110.24 178.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -59.56 -43.13 93.65 Favored 'General case' 0 C--O 1.223 -0.294 0 CA-C-N 115.448 -0.796 . . . . 1.95 111.599 -177.475 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 536' ' ' ASP . . . . . 0.509 ' O ' ' HG ' ' A' ' 540' ' ' LEU . 60.8 m-20 -61.29 -47.64 85.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.837 0.351 . . . . 0.52 111.127 -174.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 537' ' ' VAL . . . . . 0.658 HG13 HD12 ' A' ' 524' ' ' ILE . 57.6 t -65.65 -44.39 93.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.723 -0.671 . . . . 0.25 110.628 -177.108 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 93.0 mt -67.0 -43.15 89.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.757 -0.656 . . . . 0.24 110.903 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 539' ' ' ASN . . . . . 0.676 ' O ' ' HD3' ' A' ' 543' ' ' PRO . 7.2 m-20 -64.4 -28.48 69.71 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.904 -0.589 . . . . 1.07 111.744 -179.301 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 540' ' ' LEU . . . . . 0.509 ' HG ' ' O ' ' A' ' 536' ' ' ASP . 37.5 mt -74.43 -28.65 61.15 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.447 0.536 . . . . 0.36 112.447 -178.562 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -79.64 -34.65 30.9 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 119.867 -1.159 . . . . 0.22 111.71 177.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 542' ' ' LEU . . . . . . . . . . . . . 66.1 mt -57.43 -35.23 32.6 Favored Pre-proline 0 CA--C 1.549 0.924 0 N-CA-C 115.835 1.791 . . . . 0.25 115.835 -174.395 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 543' ' ' PRO . . . . . 0.676 ' HD3' ' O ' ' A' ' 539' ' ' ASN . 86.1 Cg_exo -56.27 -34.34 93.47 Favored 'Trans proline' 0 C--N 1.354 0.849 0 CA-C-N 121.645 1.623 . . . . 0.19 114.904 -175.646 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 544' ' ' PHE . . . . . 0.402 ' HB2' ' CB ' ' A' ' 572' ' ' MET . 59.6 m-85 -111.84 -18.2 12.76 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 113.307 0.854 . . . . 0.35 113.307 178.63 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 545' ' ' GLY . . . . . 0.465 ' CA ' ' HB1' ' A' ' 568' ' ' ALA . . . -134.24 -162.54 9.97 Favored Glycine 0 C--O 1.224 -0.489 0 C-N-CA 120.776 -0.726 . . . . 1.14 113.354 178.223 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 546' ' ' LYS . . . . . 0.689 ' O ' ' HA ' ' A' ' 563' ' ' MET . 56.9 tptt -128.75 127.63 42.42 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 122.706 -0.29 . . . . 1.56 110.596 -179.755 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 547' ' ' VAL . . . . . 0.524 ' HA ' ' O ' ' A' ' 562' ' ' GLU . 99.5 t -91.16 130.53 40.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 123.363 0.414 . . . . 0.25 110.838 179.791 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 548' ' ' THR . . . . . 0.553 ' HB ' ' HB1' ' A' ' 513' ' ' ALA . 34.0 p -107.64 -39.16 5.68 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.911 -0.586 . . . . 0.37 111.57 176.608 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 73.0 m-20 -147.78 165.45 30.51 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.452 -0.795 . . . . 1.43 109.451 -175.319 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 17.4 p90 -153.39 148.35 26.6 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.074 0.464 . . . . 0.47 111.212 177.323 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 551' ' ' ILE . . . . . 0.433 HD12 HD22 ' A' ' 599' ' ' LEU . 15.6 mt -130.2 123.48 56.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 108.887 -0.783 . . . . 0.37 108.887 175.239 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 552' ' ' LEU . . . . . . . . . . . . . 77.2 mt -111.29 113.73 26.42 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 116.022 -0.535 . . . . 0.45 111.37 -174.171 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 54.7 mtt -108.4 84.86 2.01 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.423 -0.584 . . . . 1.18 109.423 175.369 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -68.5 -30.5 69.34 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.884 -0.598 . . . . 1.45 111.201 -177.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 71.7 p -60.7 -30.3 69.87 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.207 -0.451 . . . . 1.11 111.4 -179.56 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 556' ' ' THR . . . . . 0.53 ' O ' ' HG2' ' A' ' 558' ' ' GLN . 67.7 p -108.25 8.97 28.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.466 -0.334 . . . . 0.88 111.639 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 56.84 42.08 27.05 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 115.949 -0.569 . . . . 2.35 111.457 -179.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 558' ' ' GLN . . . . . 0.53 ' HG2' ' O ' ' A' ' 556' ' ' THR . 13.8 mm100 -136.25 148.78 48.2 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.77 0.319 . . . . 2.07 110.635 -174.599 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -134.83 144.81 47.8 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.311 -0.404 . . . . 0.27 110.839 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 560' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -123.35 126.79 47.49 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.07 -0.514 . . . . 0.33 109.664 179.289 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 15.5 tp -124.08 130.48 52.62 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.034 -0.53 . . . . 0.22 109.8 -174.16 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 562' ' ' GLU . . . . . 0.524 ' O ' ' HA ' ' A' ' 547' ' ' VAL . 39.3 tt0 -101.13 139.58 36.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.782 0.325 . . . . 1.85 111.57 -175.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 563' ' ' MET . . . . . 0.689 ' HA ' ' O ' ' A' ' 546' ' ' LYS . 0.6 OUTLIER -114.19 135.21 54.3 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.893 -0.594 . . . . 0.96 111.147 179.144 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 564' ' ' ALA . . . . . 0.452 ' HB2' ' CG2' ' A' ' 548' ' ' THR . . . -60.86 -29.48 69.55 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-N 115.053 -0.976 . . . . 0.36 111.175 -178.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -126.2 133.21 51.6 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 114.967 -1.015 . . . . 1.27 108.544 -177.387 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 566' ' ' THR . . . . . 0.549 ' HB ' ' O ' ' A' ' 518' ' ' ALA . 5.1 t -63.67 -31.29 72.41 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.871 0.367 . . . . 0.52 110.576 179.764 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -66.66 -33.05 74.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 1.91 110.478 176.33 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 568' ' ' ALA . . . . . 0.465 ' HB1' ' CA ' ' A' ' 545' ' ' GLY . . . -65.4 -43.67 89.88 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.048 -0.524 . . . . 0.28 110.193 178.546 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . 0.41 ' HB2' ' HB2' ' A' ' 563' ' ' MET . . . -67.69 -46.24 72.86 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.733 -0.667 . . . . 0.19 111.233 -179.804 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 570' ' ' GLN . . . . . 0.462 ' O ' ' HG2' ' A' ' 574' ' ' GLN . 48.8 mt-30 -66.62 -45.47 78.99 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.112 -0.495 . . . . 1.21 111.147 -177.762 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -66.55 -37.82 85.79 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.559 -0.291 . . . . 0.31 111.701 -176.247 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 572' ' ' MET . . . . . 0.537 ' SD ' ' HE2' ' A' ' 563' ' ' MET . 15.8 ptp -68.08 -43.68 78.0 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.572 -0.451 . . . . 0.62 109.994 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 573' ' ' VAL . . . . . 0.622 HG13 ' HA ' ' A' ' 591' ' ' ARG . 78.1 t -66.5 -35.27 74.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.959 -0.564 . . . . 0.21 111.387 -178.506 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 574' ' ' GLN . . . . . 0.462 ' HG2' ' O ' ' A' ' 570' ' ' GLN . 29.2 mm-40 -58.02 -38.19 75.73 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.451 -0.574 . . . . 1.9 109.451 175.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 575' ' ' TYR . . . . . 0.454 ' HD2' ' CD2' ' A' ' 576' ' ' TYR . 78.5 t80 -69.77 -49.79 49.57 Favored 'General case' 0 C--O 1.218 -0.553 0 CA-C-N 115.88 -0.6 . . . . 0.52 111.117 173.262 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 576' ' ' TYR . . . . . 0.491 ' CB ' ' HB ' ' A' ' 590' ' ' ILE . 20.1 m-85 -75.91 -17.57 59.72 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 113.41 0.893 . . . . 0.34 113.41 -170.34 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -76.18 -33.26 59.31 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 119.996 -0.682 . . . . 1.84 110.71 173.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -95.59 -37.55 10.8 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.155 -0.475 . . . . 2.07 111.077 -178.054 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -130.06 76.26 78.27 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.0 -0.545 . . . . 2.07 109.8 177.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_exo -70.2 159.37 53.33 Favored 'Trans proline' 0 C--O 1.234 0.324 0 C-N-CA 123.356 2.704 . . . . 0.19 113.051 -174.321 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -93.32 153.12 18.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.662 -0.699 . . . . 0.2 110.813 -174.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 582' ' ' ILE . . . . . 0.44 HG12 ' HG2' ' A' ' 587' ' ' LYS . 49.3 mt -115.61 132.9 63.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 120.973 0.416 . . . . 0.54 111.974 -172.412 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 583' ' ' ILE . . . . . 0.586 HD12 HD11 ' A' ' 588' ' ' LEU . 22.6 mt -122.04 116.57 49.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.963 -0.562 . . . . 0.73 110.546 172.246 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 47.0 m-80 50.69 45.35 27.1 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 116.07 -0.514 . . . . 1.46 112.19 -179.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 83.52 1.14 90.2 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.773 -0.727 . . . . 0.67 113.344 175.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 586' ' ' GLU . . . . . 0.407 ' O ' ' HA ' ' A' ' 582' ' ' ILE . 23.9 mm-40 -102.81 126.47 49.96 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.905 0.353 . . . . 1.93 110.193 178.13 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 587' ' ' LYS . . . . . 0.44 ' HG2' HG12 ' A' ' 582' ' ' ILE . 98.9 mttt -84.95 107.57 17.15 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.865 -0.42 . . . . 2.12 109.865 177.521 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 588' ' ' LEU . . . . . 0.586 HD11 HD12 ' A' ' 583' ' ' ILE . 35.6 mt -83.22 128.59 34.62 Favored 'General case' 0 CA--C 1.501 -0.916 0 CA-C-N 116.326 -0.397 . . . . 0.28 110.332 -177.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 32.8 tp -84.06 106.85 16.04 Favored 'General case' 0 N--CA 1.433 -1.296 0 N-CA-C 108.133 -1.062 . . . . 0.38 108.133 171.494 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 590' ' ' ILE . . . . . 0.491 ' HB ' ' CB ' ' A' ' 576' ' ' TYR . 63.8 mt -96.26 115.31 35.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 N-CA-C 107.867 -1.161 . . . . 0.17 107.867 177.325 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 591' ' ' ARG . . . . . 0.622 ' HA ' HG13 ' A' ' 573' ' ' VAL . 19.9 ptt180 -147.32 165.31 30.52 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 112.392 0.515 . . . . 3.0 112.392 -171.007 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 592' ' ' MET . . . . . 0.505 ' HG2' HG11 ' A' ' 573' ' ' VAL . 0.1 OUTLIER -63.15 143.3 57.91 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.499 -0.773 . . . . 0.33 110.637 -173.508 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 38.3 t -86.89 134.95 33.48 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.828 0.347 . . . . 1.04 110.381 176.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 10.8 m -99.03 -17.2 18.39 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.41 0.624 . . . . 1.6 109.807 174.216 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -85.24 -40.83 16.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.718 -0.674 . . . . 2.94 111.283 -176.473 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 43.0 m-85 -114.07 134.01 55.15 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.245 0.545 . . . . 0.93 111.385 -178.047 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -90.5 -35.61 14.99 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.109 -0.951 . . . . 3.4 109.434 173.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 598' ' ' GLU . . . . . 0.464 ' HB2' ' NE2' ' A' ' 514' ' ' GLN . 12.4 pt-20 -153.61 148.92 27.04 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.204 -0.907 . . . . 2.02 109.365 -179.068 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 599' ' ' LEU . . . . . 0.45 HD12 ' HB2' ' A' ' 562' ' ' GLU . 91.5 mt -94.46 103.98 15.95 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.568 -0.53 . . . . 1.02 109.568 175.287 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -82.47 67.74 8.64 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 121.009 0.433 . . . . 2.87 110.875 -173.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 53.7 mt -97.5 41.01 1.13 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.652 0.739 . . . . 1.47 110.746 179.534 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 51.7 tptt -155.21 55.33 0.64 Allowed 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 114.776 -1.102 . . . . 5.4 108.4 176.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -69.2 110.67 6.62 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 114.791 -1.095 . . . . 5.81 110.501 -177.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 604' ' ' PRO . . . . . . . . . . . . . 4.9 Cg_exo -73.02 -65.71 0.03 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.388 0 C-N-CA 123.052 2.501 . . . . 6.24 112.395 -178.228 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 605' ' ' GLY . . . . . . . . . . . . . . . 62.58 35.14 91.39 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.519 -0.848 . . . . 6.9 111.208 -175.12 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -130.31 130.86 45.02 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.697 0.284 . . . . 8.87 110.531 -176.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 44.2 m-80 -95.85 -20.45 18.79 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.183 0.516 . . . . 9.21 109.889 176.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 84.8 t -72.22 -40.43 65.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.602 -0.726 . . . . 9.63 110.068 175.271 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -64.15 111.18 2.45 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 114.987 -1.006 . . . . 9.47 110.57 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -67.76 100.44 0.92 Allowed 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.381 -0.827 . . . . 9.11 109.942 177.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 57.8 mt -82.33 78.43 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-O 121.669 0.747 . . . . 8.31 110.423 -177.518 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 612' ' ' ILE . . . . . 0.579 ' H ' ' HB3' ' A' ' 620' ' ' GLU . 53.0 mt -87.25 84.29 2.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.238 -0.892 . . . . 8.86 110.203 178.186 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -111.5 1.94 17.18 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.185 -0.461 . . . . 10.28 111.304 -178.28 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -59.81 -50.85 72.2 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 121.064 0.459 . . . . 10.41 109.96 176.054 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 615' ' ' ILE . . . . . . . . . . . . . 29.3 pt -72.04 136.0 26.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.799 -0.637 . . . . 8.61 109.742 174.306 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 39.2 m80 -77.78 -3.38 41.09 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.338 0.589 . . . . 6.75 111.125 -175.279 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 10.0 m -80.66 -19.69 44.7 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.578 -0.737 . . . . 6.99 109.043 169.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 618' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 43.58 71.09 0.26 Allowed 'General case' 0 C--O 1.235 0.33 0 C-N-CA 123.535 0.734 . . . . 9.26 111.889 179.552 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -98.33 68.98 1.93 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.278 -0.874 . . . . 12.9 109.053 177.11 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 620' ' ' GLU . . . . . 0.579 ' HB3' ' H ' ' A' ' 612' ' ' ILE . 0.0 OUTLIER -98.5 176.17 5.77 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.616 -0.72 . . . . 11.34 111.534 -175.467 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 31.3 ptt180 . . . . . 0 C--O 1.248 0.981 0 CA-C-O 117.616 -1.183 . . . . 11.46 110.174 177.118 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.709 0 N-CA-C 111.773 -0.531 . . . . 6.72 111.773 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . -80.59 -28.23 37.17 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.007 0.373 . . . . 5.43 112.007 -174.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 89.2 mtp -125.35 104.45 8.47 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.033 0.444 . . . . 6.23 111.182 -179.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 513' ' ' ALA . . . . . 0.593 ' HA ' ' HB ' ' A' ' 548' ' ' THR . . . -146.17 156.05 43.14 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.737 -0.665 . . . . 2.28 109.679 176.383 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 514' ' ' GLN . . . . . 0.574 HE22 ' HB2' ' A' ' 598' ' ' GLU . 81.7 mm-40 68.67 -72.93 0.09 Allowed 'General case' 0 N--CA 1.463 0.198 0 O-C-N 123.99 0.806 . . . . 5.14 110.482 -178.116 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 515' ' ' ARG . . . . . 0.431 ' NH2' ' HB3' ' A' ' 617' ' ' SER . 27.3 mmm180 67.03 -60.64 0.36 Allowed 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 123.744 0.818 . . . . 6.6 112.234 177.479 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp -86.45 159.45 19.32 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.451 -0.574 . . . . 5.25 109.451 174.57 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -78.85 24.65 2.72 Favored Glycine 0 C--N 1.329 0.192 0 C-N-CA 120.92 -0.657 . . . . 3.29 112.857 -176.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 518' ' ' ALA . . . . . . . . . . . . . . . -155.46 -79.98 0.08 Allowed 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.42 -0.585 . . . . 2.38 109.42 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 75.14 168.47 22.96 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.969 -0.634 . . . . 1.58 112.011 -179.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 520' ' ' ARG . . . . . 0.465 ' HG3' ' OG1' ' A' ' 566' ' ' THR . 31.8 mtp180 -146.91 154.65 41.54 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.265 0.555 . . . . 2.39 110.944 176.265 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 76.5 t -109.25 137.18 42.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 114.812 -1.085 . . . . 0.44 110.093 178.257 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 522' ' ' VAL . . . . . 0.419 HG11 ' CG2' ' A' ' 590' ' ' ILE . 83.3 t -100.93 133.1 45.26 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 CA-C-N 115.991 -0.55 . . . . 0.25 110.294 176.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 19.3 t-160 -106.84 117.94 35.37 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.394 -0.965 . . . . 1.75 108.394 178.182 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 524' ' ' ILE . . . . . 0.514 HD12 HG13 ' A' ' 537' ' ' VAL . 82.0 mt -101.43 129.57 52.33 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.913 0 CA-C-O 121.032 0.444 . . . . 0.28 110.474 -173.645 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 525' ' ' CYS . . . . . 0.602 ' HA ' ' OE1' ' A' ' 558' ' ' GLN . 8.5 m -114.01 171.5 7.56 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 114.959 -1.019 . . . . 1.28 110.587 -174.503 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 67.31 26.22 8.58 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.835 -0.62 . . . . 1.22 110.771 178.122 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 527' ' ' LEU . . . . . 0.477 HD21 HD13 ' A' ' 588' ' ' LEU . 82.2 mt -81.78 132.43 54.54 Favored Pre-proline 0 C--N 1.321 -0.639 0 CA-C-N 115.758 -0.655 . . . . 0.6 110.486 179.196 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 528' ' ' PRO . . . . . 0.507 ' HD2' ' SG ' ' A' ' 532' ' ' CYS . 37.4 Cg_endo -69.53 132.36 23.53 Favored 'Trans proline' 0 C--O 1.238 0.502 0 C-N-CA 122.279 1.986 . . . . 0.62 111.361 171.24 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -67.29 125.15 25.18 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.145 -0.48 . . . . 2.98 111.617 -177.322 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 77.36 -18.22 4.57 Favored Glycine 0 CA--C 1.519 0.339 0 CA-C-N 116.02 -0.536 . . . . 0.94 114.046 172.581 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 8.5 t -82.84 -33.98 26.95 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 117.274 0.537 . . . . 1.17 110.265 -177.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 532' ' ' CYS . . . . . 0.507 ' SG ' ' HD2' ' A' ' 528' ' ' PRO . 56.1 m -68.96 143.48 54.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.938 -0.574 . . . . 0.77 110.383 178.568 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 44.7 p -105.91 169.19 8.63 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.501 -0.555 . . . . 0.54 109.501 174.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -62.44 -37.71 86.92 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.485 0.66 . . . . 1.32 109.393 175.461 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -68.45 -44.17 75.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 114.951 -1.022 . . . . 1.95 111.732 -174.149 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 536' ' ' ASP . . . . . 0.469 ' O ' ' HG ' ' A' ' 540' ' ' LEU . 40.7 m-20 -60.59 -47.57 85.62 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 120.852 0.358 . . . . 0.52 111.65 -175.436 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 537' ' ' VAL . . . . . 0.514 HG13 HD12 ' A' ' 524' ' ' ILE . 76.9 t -62.5 -42.27 95.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.85 -0.614 . . . . 0.25 110.65 -176.76 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 538' ' ' ILE . . . . . 0.486 ' O ' ' HG ' ' A' ' 542' ' ' LEU . 85.2 mt -67.24 -44.95 87.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 116.097 -0.502 . . . . 0.24 110.4 177.573 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 539' ' ' ASN . . . . . 0.439 ' O ' ' HD3' ' A' ' 543' ' ' PRO . 84.7 m-20 -60.48 -28.89 68.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.796 -0.638 . . . . 1.07 111.523 -179.232 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 540' ' ' LEU . . . . . 0.514 HD22 ' HB1' ' A' ' 581' ' ' ALA . 43.3 mt -75.12 -34.31 61.67 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.013 0.375 . . . . 0.36 112.013 178.589 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -75.33 -42.81 27.06 Favored Glycine 0 N--CA 1.453 -0.195 0 C-N-CA 120.218 -0.991 . . . . 0.22 112.221 -178.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 542' ' ' LEU . . . . . 0.573 ' HA ' ' O ' ' A' ' 545' ' ' GLY . 82.1 mt -48.11 -44.31 60.42 Favored Pre-proline 0 CA--C 1.546 0.814 0 N-CA-C 114.963 1.468 . . . . 0.25 114.963 -174.372 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 543' ' ' PRO . . . . . 0.455 ' HD2' ' O ' ' A' ' 540' ' ' LEU . 44.9 Cg_exo -48.02 -34.74 23.81 Favored 'Trans proline' 0 C--N 1.36 1.176 0 C-N-CA 122.451 2.1 . . . . 0.19 115.75 -173.089 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 544' ' ' PHE . . . . . 0.54 ' HB2' ' CB ' ' A' ' 572' ' ' MET . 93.9 m-85 -112.67 -18.9 12.24 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 119.825 -0.75 . . . . 0.35 112.954 176.419 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 545' ' ' GLY . . . . . 0.573 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . -147.64 140.37 8.43 Favored Glycine 0 C--O 1.226 -0.396 0 C-N-CA 120.672 -0.775 . . . . 1.14 112.982 176.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 546' ' ' LYS . . . . . 0.48 ' O ' ' HA ' ' A' ' 563' ' ' MET . 23.9 tptm -76.64 134.7 39.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.943 0.402 . . . . 1.56 111.507 -178.666 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 547' ' ' VAL . . . . . 0.516 ' HA ' ' O ' ' A' ' 562' ' ' GLU . 96.5 t -94.55 136.49 25.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.406 -0.816 . . . . 0.25 110.579 -179.751 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 548' ' ' THR . . . . . 0.593 ' HB ' ' HA ' ' A' ' 513' ' ' ALA . 37.4 p -100.02 -40.81 7.45 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.138 -0.483 . . . . 0.37 111.496 177.657 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -163.15 168.86 20.2 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.022 -0.733 . . . . 1.43 109.022 -178.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 550' ' ' TYR . . . . . 0.464 ' CD2' HD11 ' A' ' 538' ' ' ILE . 51.0 p90 -141.4 152.08 44.02 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.979 0.418 . . . . 0.47 111.578 -174.744 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 551' ' ' ILE . . . . . 0.453 HD12 HD22 ' A' ' 599' ' ' LEU . 46.4 mt -122.34 121.57 64.14 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.578 0 N-CA-C 108.119 -1.067 . . . . 0.37 108.119 167.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 552' ' ' LEU . . . . . . . . . . . . . 50.7 mt -111.62 111.29 22.18 Favored 'General case' 0 C--N 1.311 -1.098 0 CA-C-N 116.282 -0.417 . . . . 0.45 110.517 -177.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 60.9 mtt -107.13 85.06 2.07 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 109.199 -0.667 . . . . 1.18 109.199 176.352 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.52 -28.73 69.39 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 108.768 -0.827 . . . . 1.45 108.768 179.167 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 62.1 p -58.21 -23.94 57.41 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 114.609 -1.178 . . . . 1.11 112.223 176.136 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 77.4 p -107.7 3.85 25.1 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-O 121.24 0.543 . . . . 0.88 109.952 179.109 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 52.2 t30 54.56 41.24 32.07 Favored 'General case' 0 N--CA 1.456 -0.156 0 CA-C-N 114.705 -1.134 . . . . 2.35 110.556 -176.191 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 558' ' ' GLN . . . . . 0.602 ' OE1' ' HA ' ' A' ' 525' ' ' CYS . 13.7 mm100 -147.09 164.88 31.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.753 -0.658 . . . . 2.07 109.782 -175.383 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -132.87 149.88 52.21 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.811 0.339 . . . . 0.27 111.78 -178.475 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 560' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 -124.42 128.69 49.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.775 -0.648 . . . . 0.33 109.289 176.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 561' ' ' LEU . . . . . 0.55 ' HB3' ' HE1' ' A' ' 563' ' ' MET . 15.2 tp -131.75 131.46 43.0 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 110.19 -0.3 . . . . 0.22 110.19 -173.376 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 562' ' ' GLU . . . . . 0.516 ' O ' ' HA ' ' A' ' 547' ' ' VAL . 33.3 tt0 -100.78 138.89 37.24 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-O 120.99 0.424 . . . . 1.85 111.095 -178.792 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 563' ' ' MET . . . . . 0.634 ' HE2' ' SD ' ' A' ' 572' ' ' MET . 0.9 OUTLIER -112.43 139.91 47.61 Favored 'General case' 0 N--CA 1.444 -0.741 0 CA-C-N 115.722 -0.672 . . . . 0.96 110.368 177.469 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -60.82 -19.15 59.19 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.129 -0.941 . . . . 0.36 111.244 -178.137 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 29.4 m-85 -133.79 137.19 44.99 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 115.363 -0.835 . . . . 1.27 109.048 -178.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 566' ' ' THR . . . . . 0.522 ' O ' ' HG3' ' A' ' 570' ' ' GLN . 8.9 t -65.65 -34.43 78.21 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.357 -0.608 . . . . 0.52 109.357 176.322 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 567' ' ' GLU . . . . . 0.544 ' CD ' ' H ' ' A' ' 567' ' ' GLU . 1.2 mp0 -62.05 -39.23 91.68 Favored 'General case' 0 CA--C 1.515 -0.382 0 CA-C-N 115.964 -0.562 . . . . 1.91 110.482 174.723 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 568' ' ' ALA . . . . . 0.569 ' HB1' ' CA ' ' A' ' 545' ' ' GLY . . . -62.48 -43.76 98.03 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.474 -0.784 . . . . 0.28 110.772 179.407 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . 0.419 ' O ' ' HG2' ' A' ' 572' ' ' MET . . . -67.59 -45.94 74.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.017 -0.538 . . . . 0.19 111.235 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 570' ' ' GLN . . . . . 0.522 ' HG3' ' O ' ' A' ' 566' ' ' THR . 75.7 mt-30 -64.61 -45.18 88.03 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.198 -0.456 . . . . 1.21 110.713 -179.213 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -62.01 -41.46 98.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.906 -0.588 . . . . 0.31 111.592 -175.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 572' ' ' MET . . . . . 0.634 ' SD ' ' HE2' ' A' ' 563' ' ' MET . 15.9 ptp -69.11 -44.47 72.36 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.778 -0.369 . . . . 0.62 110.479 -178.377 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 573' ' ' VAL . . . . . 0.576 HG13 ' HA ' ' A' ' 591' ' ' ARG . 69.7 t -66.95 -37.83 80.17 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.531 0 CA-C-N 116.196 -0.456 . . . . 0.21 111.397 -175.345 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 574' ' ' GLN . . . . . 0.485 ' HA ' ' OE1' ' A' ' 574' ' ' GLN . 14.4 mm-40 -59.65 -36.57 76.68 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.975 -0.38 . . . . 1.9 109.975 177.145 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 575' ' ' TYR . . . . . 0.432 ' HD2' ' CD2' ' A' ' 576' ' ' TYR . 89.4 t80 -68.62 -49.65 57.56 Favored 'General case' 0 C--O 1.218 -0.565 0 CA-C-N 115.987 -0.551 . . . . 0.52 110.806 172.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 576' ' ' TYR . . . . . 0.479 ' CB ' ' HB ' ' A' ' 590' ' ' ILE . 23.5 m-85 -73.61 -16.74 61.23 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 112.935 0.717 . . . . 0.34 112.935 -172.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -78.39 -28.04 46.87 Favored 'General case' 0 C--N 1.317 -0.842 0 O-C-N 121.806 -0.559 . . . . 1.84 110.596 175.219 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -97.73 -39.12 9.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.018 0.437 . . . . 2.07 111.156 177.269 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 30.6 mtpp -130.29 80.63 70.22 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-N 115.927 -0.579 . . . . 2.07 109.635 176.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -69.32 159.86 52.1 Favored 'Trans proline' 0 CA--C 1.529 0.252 0 C-N-CA 123.65 2.9 . . . . 0.19 113.329 -172.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 581' ' ' ALA . . . . . 0.514 ' HB1' HD22 ' A' ' 540' ' ' LEU . . . -92.69 153.62 18.84 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.802 -0.636 . . . . 0.2 110.456 -175.242 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 582' ' ' ILE . . . . . 0.478 HG12 ' HG3' ' A' ' 587' ' ' LYS . 17.5 mt -117.32 133.08 65.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 112.691 0.626 . . . . 0.54 112.691 -167.213 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 583' ' ' ILE . . . . . 0.449 HG13 HD11 ' A' ' 540' ' ' LEU . 35.2 mt -128.41 128.7 68.54 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.115 0 CA-C-N 115.846 -0.616 . . . . 0.73 109.67 169.748 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 11.1 m120 59.77 33.72 21.8 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 122.766 0.427 . . . . 1.46 111.044 178.12 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 76.5 5.66 82.92 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.779 -0.724 . . . . 0.67 112.118 -179.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -105.79 127.83 53.34 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.778 0.323 . . . . 1.93 110.176 -178.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 587' ' ' LYS . . . . . 0.478 ' HG3' HG12 ' A' ' 582' ' ' ILE . 0.1 OUTLIER -84.2 111.09 19.05 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.978 0.418 . . . . 2.12 110.121 -177.821 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 588' ' ' LEU . . . . . 0.477 HD13 HD21 ' A' ' 527' ' ' LEU . 32.8 mt -81.83 134.1 35.39 Favored 'General case' 0 CA--C 1.508 -0.644 0 CA-C-N 115.845 -0.616 . . . . 0.28 110.294 -176.575 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 54.7 tp -84.7 107.36 16.85 Favored 'General case' 0 C--N 1.312 -1.036 0 N-CA-C 108.558 -0.905 . . . . 0.38 108.558 171.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 590' ' ' ILE . . . . . 0.479 ' HB ' ' CB ' ' A' ' 576' ' ' TYR . 59.7 mt -96.9 115.11 35.57 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 N-CA-C 108.15 -1.055 . . . . 0.17 108.15 177.609 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 591' ' ' ARG . . . . . 0.576 ' HA ' HG13 ' A' ' 573' ' ' VAL . 3.8 ptp180 -135.09 161.4 35.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.202 0.525 . . . . 3.0 112.021 -172.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 592' ' ' MET . . . . . 0.536 ' HG2' HG11 ' A' ' 573' ' ' VAL . 0.1 OUTLIER -66.47 133.79 51.13 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.417 -0.811 . . . . 0.33 109.916 179.035 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 32.7 t -83.78 132.29 34.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.817 0.341 . . . . 1.04 111.091 -177.044 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 11.1 t -98.96 -7.79 26.46 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.158 -0.473 . . . . 1.6 110.046 173.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 88.1 mtt180 -82.46 -39.25 22.81 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.208 -0.451 . . . . 2.94 110.438 -179.467 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -131.55 134.46 46.11 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.199 -0.455 . . . . 0.93 110.545 -179.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 5.3 tppp? -86.81 -36.77 18.34 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.741 -0.837 . . . . 3.4 108.741 171.397 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 598' ' ' GLU . . . . . 0.574 ' HB2' HE22 ' A' ' 514' ' ' GLN . 0.5 OUTLIER -140.17 153.41 46.62 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 114.809 -1.087 . . . . 2.02 109.261 178.543 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 599' ' ' LEU . . . . . 0.462 HD12 ' HB2' ' A' ' 562' ' ' GLU . 90.3 mt -92.53 105.7 17.82 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.547 0.689 . . . . 1.02 109.969 178.826 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -101.94 89.97 3.82 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 115.602 -0.727 . . . . 2.87 109.819 179.563 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 83.4 mt -71.96 68.35 0.67 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.422 -0.808 . . . . 1.47 110.06 176.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 602' ' ' LYS . . . . . 0.5 ' HD2' ' N ' ' A' ' 602' ' ' LYS . 3.5 mptp? 57.02 46.42 19.36 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-O 121.611 0.719 . . . . 5.4 109.729 -176.659 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -102.79 128.13 28.58 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-N 115.146 -0.933 . . . . 5.81 110.1 -175.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 604' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -75.76 52.77 3.44 Favored 'Trans proline' 0 C--O 1.236 0.381 0 C-N-CA 122.988 2.458 . . . . 6.24 112.639 -179.13 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 605' ' ' GLY . . . . . . . . . . . . . . . 136.0 -134.22 7.08 Favored Glycine 0 N--CA 1.444 -0.805 0 N-CA-C 111.269 -0.732 . . . . 6.9 111.269 -177.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . 0.428 ' HE2' ' HG3' ' A' ' 598' ' ' GLU . 16.5 mmtp -108.77 -79.51 0.58 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.907 0.384 . . . . 8.87 111.216 -179.366 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -91.93 61.25 4.04 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.206 -0.452 . . . . 9.21 110.468 -172.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 47.6 t 67.15 -85.66 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 CA-C-N 115.741 -0.663 . . . . 9.63 111.31 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -101.57 -32.8 10.19 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.834 0.349 . . . . 9.47 110.916 -177.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -93.97 137.95 32.62 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.176 -0.466 . . . . 9.11 110.831 -179.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 61.5 mt -105.77 92.5 2.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-O 121.231 0.539 . . . . 8.31 109.711 175.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 612' ' ' ILE . . . . . 0.501 HG23 ' HB ' ' A' ' 615' ' ' ILE . 85.6 mt -83.58 127.58 39.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.842 -0.617 . . . . 8.86 111.076 -177.438 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -132.14 -54.2 0.98 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.978 -0.555 . . . . 10.28 110.4 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -77.91 -41.39 36.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.071 -0.513 . . . . 10.41 110.614 -178.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 615' ' ' ILE . . . . . 0.501 ' HB ' HG23 ' A' ' 612' ' ' ILE . 50.1 mt -74.59 157.84 6.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.798 -0.637 . . . . 8.61 109.807 179.213 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 33.9 m170 -112.2 -154.38 0.54 Allowed 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.843 -0.428 . . . . 6.75 109.843 174.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 617' ' ' SER . . . . . 0.431 ' HB3' ' NH2' ' A' ' 515' ' ' ARG . 10.4 m -73.62 71.93 1.42 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.101 0.476 . . . . 6.99 110.9 -179.218 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 618' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -134.26 -58.44 0.84 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.004 -0.544 . . . . 9.26 110.701 -178.47 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 53.2 mtm180 -117.52 54.33 0.9 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.268 -0.424 . . . . 12.9 111.422 -179.188 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 620' ' ' GLU . . . . . 0.453 ' HA ' HD11 ' A' ' 612' ' ' ILE . 35.3 tt0 -79.75 93.87 5.65 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.053 0.454 . . . . 11.34 109.891 175.259 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 31.3 mtp180 . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.331 -0.842 . . . . 11.46 109.593 176.584 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.701 0 N-CA-C 112.25 -0.34 . . . . 6.72 112.25 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . -104.52 38.5 1.87 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.328 0.585 . . . . 5.43 110.273 178.625 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 2.0 mpt? -77.87 -21.56 51.15 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.742 -0.663 . . . . 6.23 111.086 -178.009 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 513' ' ' ALA . . . . . 0.526 ' HB2' ' ND2' ' A' ' 549' ' ' ASN . . . -127.69 -159.53 0.95 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.366 -0.379 . . . . 2.28 111.203 -178.283 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 514' ' ' GLN . . . . . 0.481 ' HA ' ' OE1' ' A' ' 514' ' ' GLN . 17.4 mm-40 70.97 91.65 0.09 Allowed 'General case' 0 CA--C 1.519 -0.248 0 CA-C-N 115.134 -0.939 . . . . 5.14 111.014 177.35 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 515' ' ' ARG . . . . . 0.438 ' HB2' ' O ' ' A' ' 564' ' ' ALA . 24.3 mmt180 -102.12 -46.24 4.91 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.281 -0.872 . . . . 6.6 109.633 177.717 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 44.2 mmtm -95.28 159.03 15.2 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.042 -0.725 . . . . 5.25 109.042 168.192 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -75.2 61.1 2.69 Favored Glycine 0 CA--C 1.517 0.196 0 C-N-CA 121.147 -0.549 . . . . 3.29 112.894 -177.057 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 518' ' ' ALA . . . . . . . . . . . . . . . -165.81 -76.89 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 110.102 -0.333 . . . . 2.38 110.102 179.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 74.43 140.8 0.65 Allowed Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.996 -0.621 . . . . 1.58 112.678 179.591 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 75.4 mtt180 -148.19 139.72 23.64 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.934 0.397 . . . . 2.39 110.263 177.162 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 521' ' ' VAL . . . . . 0.464 HG22 ' HG ' ' A' ' 599' ' ' LEU . 71.0 t -96.71 134.14 35.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 115.755 -0.657 . . . . 0.44 109.799 177.071 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 522' ' ' VAL . . . . . 0.412 HG21 ' HE3' ' A' ' 563' ' ' MET . 57.4 t -102.04 134.7 41.88 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.026 0 CA-C-N 115.933 -0.576 . . . . 0.25 109.716 177.049 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 10.7 t-160 -105.42 118.88 37.7 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.658 -0.497 . . . . 1.75 109.658 -176.109 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 524' ' ' ILE . . . . . . . . . . . . . 68.3 mt -102.62 127.72 56.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 115.864 -0.607 . . . . 0.28 109.792 -178.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 8.3 m -114.77 169.85 8.76 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.634 -0.712 . . . . 1.28 111.354 -171.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 66.84 33.37 6.09 Favored 'General case' 0 N--CA 1.464 0.249 0 O-C-N 123.878 0.737 . . . . 1.22 111.456 174.239 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 527' ' ' LEU . . . . . 0.47 HD21 HD13 ' A' ' 588' ' ' LEU . 79.9 mt -86.29 121.28 72.57 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 116.191 -0.458 . . . . 0.6 111.572 -176.608 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 528' ' ' PRO . . . . . 0.457 ' HD2' ' SG ' ' A' ' 532' ' ' CYS . 37.3 Cg_endo -69.27 132.1 23.37 Favored 'Trans proline' 0 C--O 1.237 0.464 0 C-N-CA 122.601 2.201 . . . . 0.62 111.877 174.43 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -67.49 125.59 26.64 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.097 -0.501 . . . . 2.98 111.5 -178.007 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 80.59 -17.77 10.08 Favored Glycine 0 N--CA 1.451 -0.308 0 CA-C-N 115.997 -0.547 . . . . 0.94 113.482 175.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 531' ' ' SER . . . . . 0.406 ' HB2' ' HG2' ' A' ' 528' ' ' PRO . 11.4 m -84.86 -36.84 21.3 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 117.091 0.446 . . . . 1.17 110.67 -177.587 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 532' ' ' CYS . . . . . 0.457 ' SG ' ' HD2' ' A' ' 528' ' ' PRO . 76.2 m -87.11 139.18 30.83 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.41 -0.359 . . . . 0.77 110.147 176.04 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 65.1 p -106.0 166.86 10.19 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.806 -0.442 . . . . 0.54 109.806 175.705 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 534' ' ' GLU . . . . . 0.516 ' HG2' ' CD1' ' A' ' 552' ' ' LEU . 42.9 mt-10 -54.81 -45.45 74.38 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.411 0.624 . . . . 1.32 109.954 179.551 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 13.8 t30 -59.61 -38.46 81.34 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 114.791 -1.095 . . . . 1.95 111.712 -177.508 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 536' ' ' ASP . . . . . 0.535 ' O ' ' HG ' ' A' ' 540' ' ' LEU . 56.4 m-20 -64.39 -48.6 74.81 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 120.982 0.42 . . . . 0.52 110.723 -179.356 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 59.2 t -63.53 -44.02 98.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.414 -0.812 . . . . 0.25 110.9 -174.321 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 87.7 mt -65.28 -45.83 92.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.793 -0.64 . . . . 0.24 110.97 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 539' ' ' ASN . . . . . 0.689 ' O ' ' HD3' ' A' ' 543' ' ' PRO . 89.5 m-20 -66.22 -27.67 68.15 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.978 -0.556 . . . . 1.07 112.201 -175.487 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 540' ' ' LEU . . . . . 0.535 ' HG ' ' O ' ' A' ' 536' ' ' ASP . 29.6 mt -65.21 -36.26 83.61 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.341 0.497 . . . . 0.36 112.341 -179.291 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -79.56 -32.42 37.79 Favored Glycine 0 CA--C 1.516 0.128 0 C-N-CA 120.273 -0.965 . . . . 0.22 112.261 -179.314 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 542' ' ' LEU . . . . . 0.427 HD12 ' HA ' ' A' ' 539' ' ' ASN . 75.5 mt -52.81 -37.99 53.58 Favored Pre-proline 0 CA--C 1.554 1.097 0 N-CA-C 115.704 1.742 . . . . 0.25 115.704 -175.742 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 543' ' ' PRO . . . . . 0.689 ' HD3' ' O ' ' A' ' 539' ' ' ASN . 71.3 Cg_exo -50.66 -33.51 39.98 Favored 'Trans proline' 0 C--N 1.354 0.862 0 C-N-CA 121.592 1.528 . . . . 0.19 115.351 -175.564 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 544' ' ' PHE . . . . . 0.575 ' HB2' ' CB ' ' A' ' 572' ' ' MET . 82.5 m-85 -111.56 -19.97 12.34 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 113.055 0.761 . . . . 0.35 113.055 176.679 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 545' ' ' GLY . . . . . 0.623 ' CA ' ' HB1' ' A' ' 568' ' ' ALA . . . -135.31 -161.77 9.46 Favored Glycine 0 C--O 1.223 -0.542 0 C-N-CA 120.421 -0.895 . . . . 1.14 114.005 179.785 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 546' ' ' LYS . . . . . 0.572 ' O ' ' HA ' ' A' ' 563' ' ' MET . 16.7 tppt? -132.55 135.54 46.01 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 122.474 -0.427 . . . . 1.56 110.967 -178.669 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 547' ' ' VAL . . . . . 0.578 ' HA ' ' O ' ' A' ' 562' ' ' GLU . 95.2 t -100.14 133.63 42.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.907 -0.588 . . . . 0.25 110.923 -178.655 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 72.5 p -108.28 -32.3 7.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.104 0.478 . . . . 0.37 110.784 176.178 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 549' ' ' ASN . . . . . 0.526 ' ND2' ' HB2' ' A' ' 513' ' ' ALA . 33.1 m-80 -149.06 166.62 28.19 Favored 'General case' 0 CA--C 1.515 -0.372 0 CA-C-N 115.702 -0.681 . . . . 1.43 109.525 -174.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 37.9 p90 -155.44 149.14 25.27 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.856 0.36 . . . . 0.47 110.472 175.587 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 551' ' ' ILE . . . . . 0.523 HD12 HD22 ' A' ' 599' ' ' LEU . 24.2 mt -131.28 123.78 53.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 108.955 -0.757 . . . . 0.37 108.955 175.677 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 552' ' ' LEU . . . . . 0.516 ' CD1' ' HG2' ' A' ' 534' ' ' GLU . 85.1 mt -111.35 114.1 27.02 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.143 -0.48 . . . . 0.45 111.734 -172.51 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 25.4 mmt -108.08 86.13 2.24 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.874 -0.787 . . . . 1.18 108.874 172.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.94 -34.97 77.61 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.132 -0.485 . . . . 1.45 110.675 -174.71 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 62.6 p -64.79 -28.1 69.34 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.936 -0.575 . . . . 1.11 112.049 -177.235 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 556' ' ' THR . . . . . 0.478 ' O ' ' HG2' ' A' ' 558' ' ' GLN . 75.6 p -98.84 4.13 47.49 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.06 0.457 . . . . 0.88 110.525 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 14.5 m120 56.91 40.44 28.85 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.092 -0.958 . . . . 2.35 110.885 -179.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 558' ' ' GLN . . . . . 0.478 ' HG2' ' O ' ' A' ' 556' ' ' THR . 15.0 mm100 -143.48 148.77 36.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 2.07 110.466 -175.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -133.99 152.67 51.94 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.904 0.383 . . . . 0.27 111.066 178.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 560' ' ' PHE . . . . . . . . . . . . . 55.6 m-85 -119.12 126.34 51.39 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.86 -0.793 . . . . 0.33 108.86 177.05 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 561' ' ' LEU . . . . . 0.406 HD12 ' HA ' ' A' ' 561' ' ' LEU . 14.7 tp -121.79 129.06 52.38 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 109.761 -0.459 . . . . 0.22 109.761 -176.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 562' ' ' GLU . . . . . 0.578 ' O ' ' HA ' ' A' ' 547' ' ' VAL . 10.0 tp10 -99.64 138.51 36.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.498 -0.319 . . . . 1.85 111.044 -173.03 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 563' ' ' MET . . . . . 0.572 ' HA ' ' O ' ' A' ' 546' ' ' LYS . 21.2 mmt -116.06 135.19 54.18 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.656 0.741 . . . . 0.96 111.688 -172.665 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 564' ' ' ALA . . . . . 0.438 ' O ' ' HB2' ' A' ' 515' ' ' ARG . . . -65.95 -33.8 76.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 114.826 -1.079 . . . . 0.36 111.245 -178.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 565' ' ' TYR . . . . . 0.446 ' HB2' ' CB ' ' A' ' 568' ' ' ALA . 17.5 m-85 -124.4 134.67 53.04 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.721 -0.844 . . . . 1.27 108.721 -175.3 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 9.7 t -68.07 -35.4 78.14 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.346 -0.388 . . . . 0.52 110.808 -177.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -67.13 -35.48 79.83 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-O 121.022 0.439 . . . . 1.91 110.56 175.113 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 568' ' ' ALA . . . . . 0.623 ' HB1' ' CA ' ' A' ' 545' ' ' GLY . . . -62.61 -43.96 97.51 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.646 -0.707 . . . . 0.28 110.504 178.112 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -63.47 -45.73 89.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.708 -0.678 . . . . 0.19 111.195 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 570' ' ' GLN . . . . . 0.596 ' O ' ' HG2' ' A' ' 574' ' ' GLN . 45.9 mt-30 -67.57 -46.21 73.33 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.943 -0.571 . . . . 1.21 111.379 -178.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -61.89 -42.13 98.7 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.201 -0.454 . . . . 0.31 111.535 -175.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 572' ' ' MET . . . . . 0.575 ' CB ' ' HB2' ' A' ' 544' ' ' PHE . 17.2 ptp -66.29 -44.97 82.03 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.036 0.446 . . . . 0.62 110.222 -179.342 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 573' ' ' VAL . . . . . 0.803 HG13 ' HA ' ' A' ' 591' ' ' ARG . 57.7 t -67.29 -36.86 77.86 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.691 0 CA-C-N 115.711 -0.677 . . . . 0.21 111.958 -175.412 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 574' ' ' GLN . . . . . 0.596 ' HG2' ' O ' ' A' ' 570' ' ' GLN . 29.4 mm-40 -59.05 -37.35 76.8 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.538 -0.541 . . . . 1.9 109.538 178.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 89.1 t80 -69.14 -49.68 54.73 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-N 115.769 -0.65 . . . . 0.52 111.149 172.248 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 576' ' ' TYR . . . . . 0.471 ' CB ' ' HB ' ' A' ' 590' ' ' ILE . 22.9 m-85 -72.24 -23.08 61.17 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 113.502 0.927 . . . . 0.34 113.502 -171.375 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -70.04 -30.9 68.29 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 120.132 -0.627 . . . . 1.84 110.562 175.672 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 50.9 mm-40 -97.52 -38.96 9.37 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.14 0.495 . . . . 2.07 111.312 179.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -126.32 81.94 66.62 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 115.741 -0.663 . . . . 2.07 109.958 175.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_exo -72.32 159.92 48.28 Favored 'Trans proline' 0 C--O 1.234 0.293 0 C-N-CA 123.522 2.815 . . . . 0.19 112.429 -176.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -93.23 144.67 25.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.28 -0.418 . . . . 0.2 110.752 -174.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 65.8 mt -108.89 131.31 59.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 116.333 -0.394 . . . . 0.54 111.794 -173.384 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 583' ' ' ILE . . . . . 0.494 HD12 HD11 ' A' ' 588' ' ' LEU . 37.9 mt -122.51 116.66 49.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.124 -0.489 . . . . 0.73 110.499 172.269 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 55.33 43.99 28.07 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.848 -0.614 . . . . 1.46 111.724 175.214 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 86.1 -4.54 85.85 Favored Glycine 0 N--CA 1.45 -0.376 0 CA-C-N 115.917 -0.583 . . . . 0.67 113.47 176.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -102.68 126.26 49.71 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 117.147 0.473 . . . . 1.93 110.256 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -84.69 107.37 16.85 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.52 -0.548 . . . . 2.12 109.52 178.091 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 588' ' ' LEU . . . . . 0.494 HD11 HD12 ' A' ' 583' ' ' ILE . 39.9 mt -84.8 124.36 31.48 Favored 'General case' 0 CA--C 1.506 -0.74 0 CA-C-N 116.467 -0.333 . . . . 0.28 110.38 -178.12 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 33.1 tp -83.28 108.56 16.58 Favored 'General case' 0 C--N 1.313 -0.998 0 N-CA-C 108.584 -0.895 . . . . 0.38 108.584 173.269 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 590' ' ' ILE . . . . . 0.471 ' HB ' ' CB ' ' A' ' 576' ' ' TYR . 41.7 mt -96.48 115.47 35.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 108.273 -1.01 . . . . 0.17 108.273 177.655 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 591' ' ' ARG . . . . . 0.803 ' HA ' HG13 ' A' ' 573' ' ' VAL . 33.3 ptt180 -145.34 164.76 30.48 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 113.285 0.846 . . . . 3.0 113.285 -174.357 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 592' ' ' MET . . . . . 0.664 ' HG2' HG11 ' A' ' 573' ' ' VAL . 0.6 OUTLIER -68.19 129.35 39.67 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.009 -0.996 . . . . 0.33 111.303 -175.301 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 33.0 t -86.92 129.7 34.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.006 0.432 . . . . 1.04 110.539 176.25 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 8.1 m -98.52 -6.86 29.38 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.696 0.76 . . . . 1.6 109.769 175.364 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 79.4 mtp180 -88.28 -41.33 12.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.641 -0.709 . . . . 2.94 111.118 -177.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -106.69 134.06 50.41 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.844 0.354 . . . . 0.93 110.587 -179.508 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -90.97 -41.83 10.9 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.812 -0.631 . . . . 3.4 110.373 176.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 598' ' ' GLU . . . . . 0.476 ' HA ' ' OE2' ' A' ' 562' ' ' GLU . 11.1 pt-20 -154.05 146.55 24.05 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.476 -0.784 . . . . 2.02 109.843 -178.575 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 599' ' ' LEU . . . . . 0.523 HD22 HD12 ' A' ' 551' ' ' ILE . 76.1 mt -92.44 111.72 23.41 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.238 0.542 . . . . 1.02 111.462 179.686 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -105.36 100.89 10.46 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.5 -0.773 . . . . 2.87 109.321 174.712 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 64.5 mt -62.15 143.79 56.26 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.43 -0.805 . . . . 1.47 111.986 -173.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 5.7 tmmm? -73.34 -30.28 63.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 114.856 -1.066 . . . . 5.4 110.275 178.45 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -82.79 127.81 68.49 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-N 115.901 -0.591 . . . . 5.81 110.48 -178.319 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 604' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -60.07 135.51 63.07 Favored 'Trans proline' 0 C--O 1.235 0.347 0 C-N-CA 122.924 2.416 . . . . 6.24 112.61 -177.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 605' ' ' GLY . . . . . 0.423 ' O ' ' HB2' ' A' ' 606' ' ' LYS . . . 169.74 -175.05 44.0 Favored Glycine 0 N--CA 1.442 -0.963 0 CA-C-N 115.668 -0.696 . . . . 6.9 111.608 -179.445 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . 0.423 ' HB2' ' O ' ' A' ' 605' ' ' GLY . 16.5 mmtp 70.09 123.16 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 121.458 0.647 . . . . 8.87 111.953 -179.483 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 607' ' ' ASN . . . . . 0.463 ' O ' HG12 ' A' ' 611' ' ' ILE . 4.6 t30 -64.7 111.88 2.96 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.334 -0.848 . . . . 9.21 110.443 177.178 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 58.7 t -96.29 -32.25 4.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.994 0.426 . . . . 9.63 110.725 179.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -71.28 97.95 1.66 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 9.47 110.3 178.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . 58.58 85.07 0.1 Allowed 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.568 -0.742 . . . . 9.11 110.242 -174.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . 0.463 HG12 ' O ' ' A' ' 607' ' ' ASN . 64.3 mt -72.57 83.08 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 CA-C-N 114.988 -1.005 . . . . 8.31 111.115 -174.541 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 612' ' ' ILE . . . . . . . . . . . . . 43.1 mt -89.46 64.33 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 121.821 0.819 . . . . 8.86 108.82 173.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -122.6 148.31 45.39 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.207 -0.906 . . . . 10.28 109.864 -178.035 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 614' ' ' ASP . . . . . 0.505 ' O ' ' HB ' ' A' ' 615' ' ' ILE . 21.0 t70 73.97 -35.87 0.32 Allowed 'General case' 0 N--CA 1.468 0.462 0 O-C-N 124.043 0.84 . . . . 10.41 111.944 176.43 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 615' ' ' ILE . . . . . 0.505 ' HB ' ' O ' ' A' ' 614' ' ' ASP . 1.8 mp 77.32 -19.7 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 C-N-CA 123.043 0.537 . . . . 8.61 111.385 175.59 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 616' ' ' HIS . . . . . 0.466 ' HB2' ' OD2' ' A' ' 614' ' ' ASP . 27.7 m170 -99.15 5.01 47.02 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.685 -0.857 . . . . 6.75 108.685 174.804 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 32.4 t -103.27 -68.84 0.82 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.026 -0.988 . . . . 6.99 109.492 176.189 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 618' ' ' GLN . . . . . 0.46 ' NE2' ' HB ' ' A' ' 611' ' ' ILE . 26.9 mt-30 -135.25 147.91 49.41 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.372 -0.831 . . . . 9.26 109.441 178.74 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -127.94 60.46 1.45 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.306 -0.407 . . . . 12.9 110.532 -175.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 620' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 72.39 146.19 0.08 Allowed 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 115.334 -0.848 . . . . 11.34 111.354 178.392 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 15.1 ptm180 . . . . . 0 C--O 1.247 0.946 0 CA-C-O 118.351 -0.833 . . . . 11.46 109.935 176.814 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.533 0 N-CA-C 111.657 -0.577 . . . . 6.72 111.657 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . -159.22 78.34 0.74 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.889 0.376 . . . . 5.43 110.906 -178.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 65.6 mtt -82.29 60.62 5.1 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.493 0.663 . . . . 6.23 109.684 176.15 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 513' ' ' ALA . . . . . 0.479 ' HB3' HD21 ' A' ' 549' ' ' ASN . . . -84.93 152.76 23.29 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.333 -0.849 . . . . 2.28 111.77 -175.037 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 514' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -93.34 1.25 57.02 Favored 'General case' 0 CA--C 1.505 -0.754 0 CA-C-N 115.176 -0.92 . . . . 5.14 109.0 173.301 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 515' ' ' ARG . . . . . 0.449 ' HG2' ' HB2' ' A' ' 598' ' ' GLU . 0.3 OUTLIER 63.97 -87.26 0.02 OUTLIER 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 114.34 -1.3 . . . . 6.6 109.506 -178.934 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 516' ' ' LYS . . . . . 0.714 ' HD2' ' H ' ' A' ' 520' ' ' ARG . 0.3 OUTLIER -133.41 -20.11 2.11 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.057 0.456 . . . . 5.25 110.324 174.933 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 517' ' ' GLY . . . . . 0.527 ' CA ' ' HA ' ' A' ' 617' ' ' SER . . . 83.13 -13.71 43.21 Favored Glycine 0 N--CA 1.446 -0.688 0 N-CA-C 111.026 -0.83 . . . . 3.29 111.026 -171.094 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 518' ' ' ALA . . . . . . . . . . . . . . . -113.83 -77.95 0.58 Allowed 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 114.282 -0.959 . . . . 2.38 110.105 178.199 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 133.63 88.18 0.33 Allowed Glycine 0 N--CA 1.445 -0.754 0 C-N-CA 120.028 -1.082 . . . . 1.58 114.372 173.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 520' ' ' ARG . . . . . 0.714 ' H ' ' HD2' ' A' ' 516' ' ' LYS . 11.9 mtp180 -142.86 139.29 30.8 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 109.431 -0.581 . . . . 2.39 109.431 168.574 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 58.7 t -121.8 139.71 48.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 C-N-CA 122.66 0.384 . . . . 0.44 111.007 178.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 522' ' ' VAL . . . . . 0.51 HG22 ' HE3' ' A' ' 592' ' ' MET . 40.3 t -100.45 134.31 40.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 N-CA-C 109.889 -0.412 . . . . 0.25 109.889 178.144 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 523' ' ' HIS . . . . . 0.426 ' HB3' ' OG ' ' A' ' 593' ' ' SER . 14.4 p-80 -115.05 140.16 49.28 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.183 0.516 . . . . 1.75 110.116 177.283 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 524' ' ' ILE . . . . . 0.671 HD12 HG13 ' A' ' 537' ' ' VAL . 67.1 mt -106.12 128.89 60.14 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.054 0 CA-C-N 115.595 -0.73 . . . . 0.28 110.099 179.248 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 525' ' ' CYS . . . . . 0.435 ' O ' ' HB2' ' A' ' 526' ' ' ASN . 12.6 p -124.29 174.98 7.36 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.825 -0.625 . . . . 1.28 110.144 -177.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 526' ' ' ASN . . . . . 0.496 HD22 ' N ' ' A' ' 526' ' ' ASN . 0.8 OUTLIER 69.33 26.19 5.38 Favored 'General case' 0 N--CA 1.469 0.506 0 O-C-N 123.699 0.624 . . . . 1.22 109.896 -175.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 527' ' ' LEU . . . . . 0.479 ' HB3' ' SG ' ' A' ' 532' ' ' CYS . 82.4 mt -79.14 130.31 69.86 Favored Pre-proline 0 C--N 1.324 -0.541 0 CA-C-N 115.319 -0.855 . . . . 0.6 110.788 -177.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 528' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -68.15 133.13 27.84 Favored 'Trans proline' 0 C--O 1.235 0.359 0 C-N-CA 122.391 2.06 . . . . 0.62 111.385 174.237 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -66.84 124.38 22.79 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.279 -0.419 . . . . 2.98 111.116 -175.225 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 80.56 -18.05 9.48 Favored Glycine 0 N--CA 1.452 -0.289 0 CA-C-N 116.091 -0.504 . . . . 0.94 113.514 175.106 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 14.6 m -88.2 -15.68 35.33 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.032 0.444 . . . . 1.17 111.142 -177.033 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 532' ' ' CYS . . . . . 0.479 ' SG ' ' HB3' ' A' ' 527' ' ' LEU . 56.8 m -85.21 135.34 33.99 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.278 -0.419 . . . . 0.77 110.732 -179.635 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 30.0 p -108.32 169.56 8.56 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.591 -0.522 . . . . 0.54 109.591 177.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 534' ' ' GLU . . . . . 0.4 ' HA ' HD11 ' A' ' 552' ' ' LEU . 14.5 mt-10 -63.11 -46.89 85.19 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.35 0.595 . . . . 1.32 109.684 175.075 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -66.36 -44.2 83.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 114.984 -1.007 . . . . 1.95 111.852 -171.13 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 536' ' ' ASP . . . . . 0.552 ' O ' ' HG ' ' A' ' 540' ' ' LEU . 16.5 m-20 -63.95 -45.39 89.37 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 120.724 0.297 . . . . 0.52 111.357 -176.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 537' ' ' VAL . . . . . 0.671 HG13 HD12 ' A' ' 524' ' ' ILE . 98.0 t -61.96 -42.68 95.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.007 -0.542 . . . . 0.25 110.359 -177.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 538' ' ' ILE . . . . . 0.401 ' O ' ' HG ' ' A' ' 542' ' ' LEU . 82.9 mt -67.17 -42.31 87.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.494 . . . . 0.24 110.765 177.272 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 539' ' ' ASN . . . . . 0.497 ' HA ' HD12 ' A' ' 542' ' ' LEU . 81.2 m-20 -61.47 -30.06 70.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.992 -0.549 . . . . 1.07 112.233 -177.26 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 540' ' ' LEU . . . . . 0.552 ' HG ' ' O ' ' A' ' 536' ' ' ASP . 46.1 mt -69.36 -37.05 77.43 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.068 0.395 . . . . 0.36 112.068 -176.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -75.47 -36.71 43.22 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.258 -0.972 . . . . 0.22 112.233 -178.224 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 542' ' ' LEU . . . . . 0.546 ' HA ' ' O ' ' A' ' 545' ' ' GLY . 91.3 mt -48.4 -46.76 69.18 Favored Pre-proline 0 CA--C 1.542 0.67 0 N-CA-C 114.522 1.305 . . . . 0.25 114.522 -172.563 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 543' ' ' PRO . . . . . 0.462 ' HD3' ' O ' ' A' ' 539' ' ' ASN . 41.6 Cg_exo -46.7 -34.01 14.69 Favored 'Trans proline' 0 C--N 1.358 1.071 0 C-N-CA 122.484 2.122 . . . . 0.19 115.833 -173.459 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 544' ' ' PHE . . . . . 0.538 ' HB2' ' CB ' ' A' ' 572' ' ' MET . 79.3 m-85 -111.55 -19.1 12.65 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.041 -0.663 . . . . 0.35 112.687 176.552 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 545' ' ' GLY . . . . . 0.546 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . -149.76 132.86 4.17 Favored Glycine 0 CA--C 1.522 0.505 0 C-N-CA 120.911 -0.662 . . . . 1.14 113.088 177.538 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 546' ' ' LYS . . . . . 0.517 ' O ' ' HA ' ' A' ' 563' ' ' MET . 23.7 tptm -71.04 144.23 50.47 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.677 0.275 . . . . 1.56 111.103 178.574 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 547' ' ' VAL . . . . . 0.536 ' HA ' ' O ' ' A' ' 562' ' ' GLU . 92.8 t -95.0 127.94 46.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.821 -0.627 . . . . 0.25 111.377 178.631 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 28.9 p -94.54 -39.58 10.31 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.387 -0.37 . . . . 0.37 111.782 176.049 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 549' ' ' ASN . . . . . 0.479 HD21 ' HB3' ' A' ' 513' ' ' ALA . 55.5 m-80 -149.56 165.69 31.46 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.75 -0.833 . . . . 1.43 108.75 -179.797 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 550' ' ' TYR . . . . . 0.517 ' O ' HD21 ' A' ' 601' ' ' LEU . 12.2 p90 -148.78 149.79 31.97 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 120.626 -0.429 . . . . 0.47 110.588 -179.643 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 29.0 mt -131.29 121.26 48.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 N-CA-C 108.975 -0.75 . . . . 0.37 108.975 173.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 552' ' ' LEU . . . . . 0.4 HD11 ' HA ' ' A' ' 534' ' ' GLU . 50.1 mt -112.43 115.12 28.18 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 115.533 -0.758 . . . . 0.45 111.111 -177.698 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 62.4 mtt -107.48 83.69 1.85 Allowed 'General case' 0 N--CA 1.445 -0.684 0 N-CA-C 108.628 -0.879 . . . . 1.18 108.628 173.212 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -69.75 -29.46 66.83 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.046 -0.979 . . . . 1.45 110.464 -176.227 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 62.5 p -66.34 -22.94 66.28 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.58 -0.736 . . . . 1.11 111.613 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 68.9 p -105.28 3.82 30.37 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-O 121.282 0.563 . . . . 0.88 110.167 177.291 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 64.9 t30 56.39 41.55 28.8 Favored 'General case' 0 CA--C 1.521 -0.153 0 CA-C-N 114.674 -1.148 . . . . 2.35 110.893 -178.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -137.86 149.38 46.24 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.047 -0.524 . . . . 2.07 109.869 -177.438 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -130.2 142.92 50.53 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.38 -0.373 . . . . 0.27 111.259 -176.398 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 560' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -126.59 126.13 43.11 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.761 -0.654 . . . . 0.33 109.412 177.539 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 15.4 tp -126.54 129.09 47.93 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 116.011 -0.54 . . . . 0.22 110.082 -174.227 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 562' ' ' GLU . . . . . 0.536 ' O ' ' HA ' ' A' ' 547' ' ' VAL . 37.5 tt0 -103.15 137.92 40.66 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.342 -0.39 . . . . 1.85 111.302 -176.082 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 563' ' ' MET . . . . . 0.517 ' HA ' ' O ' ' A' ' 546' ' ' LYS . 13.3 mmt -107.8 159.55 16.42 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.838 -0.619 . . . . 0.96 110.442 -177.106 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -75.72 -22.53 56.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.699 -0.682 . . . . 0.36 112.251 -175.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -137.65 150.65 47.54 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.872 0.368 . . . . 1.27 110.795 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 9.0 t -61.69 -38.06 86.43 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.77 -0.65 . . . . 0.52 110.313 176.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -67.23 -35.34 79.35 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 116.174 -0.466 . . . . 1.91 110.778 175.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 568' ' ' ALA . . . . . 0.48 ' HB1' ' CA ' ' A' ' 545' ' ' GLY . . . -62.48 -42.56 99.57 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.094 0.473 . . . . 0.28 110.311 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . 0.489 ' HB1' ' HE1' ' A' ' 592' ' ' MET . . . -68.44 -46.99 68.38 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.694 -0.685 . . . . 0.19 111.514 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 570' ' ' GLN . . . . . 0.458 ' O ' ' HG3' ' A' ' 574' ' ' GLN . 48.2 mt-30 -68.86 -46.14 69.23 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.29 -0.413 . . . . 1.21 111.923 -177.649 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -62.11 -38.01 87.29 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.675 0.274 . . . . 0.31 111.392 -175.425 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 572' ' ' MET . . . . . 0.538 ' CB ' ' HB2' ' A' ' 544' ' ' PHE . 14.0 ptp -69.11 -45.6 69.77 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 120.655 -0.418 . . . . 0.62 110.365 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 573' ' ' VAL . . . . . 0.564 HG11 ' HG2' ' A' ' 592' ' ' MET . 91.9 t -67.32 -36.88 77.89 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.566 0 CA-C-N 116.192 -0.458 . . . . 0.21 111.259 -176.358 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 574' ' ' GLN . . . . . 0.458 ' HG3' ' O ' ' A' ' 570' ' ' GLN . 52.0 mt-30 -58.96 -37.17 76.17 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.541 -0.54 . . . . 1.9 109.541 175.784 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 54.2 t80 -69.56 -49.66 52.13 Favored 'General case' 0 C--O 1.219 -0.534 0 CA-C-N 115.856 -0.611 . . . . 0.52 110.68 174.012 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 576' ' ' TYR . . . . . 0.436 ' CE1' ' HB2' ' A' ' 572' ' ' MET . 21.7 m-85 -74.84 -17.22 60.64 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.925 0.713 . . . . 0.34 112.925 -172.624 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -74.38 -30.69 62.07 Favored 'General case' 0 C--N 1.319 -0.722 0 O-C-N 122.091 -0.381 . . . . 1.84 110.557 174.122 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -97.54 -40.19 8.77 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.02 0.438 . . . . 2.07 110.97 178.212 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 49.9 mtpt -127.9 79.45 73.69 Favored Pre-proline 0 C--N 1.327 -0.4 0 CA-C-N 115.695 -0.684 . . . . 2.07 109.917 179.037 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_exo -71.67 160.41 48.23 Favored 'Trans proline' 0 C--O 1.235 0.373 0 C-N-CA 123.372 2.714 . . . . 0.19 112.803 -174.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -92.47 150.61 20.67 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.135 -0.484 . . . . 0.2 110.354 -175.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 582' ' ' ILE . . . . . 0.432 ' HA ' ' O ' ' A' ' 586' ' ' GLU . 65.3 mt -117.2 127.87 74.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 N-CA-C 112.112 0.412 . . . . 0.54 112.112 -171.196 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 583' ' ' ILE . . . . . 0.416 HD12 HD11 ' A' ' 588' ' ' LEU . 52.4 mt -122.18 120.6 61.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.001 -0.545 . . . . 0.73 110.447 172.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 59.27 40.38 21.43 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.862 -0.608 . . . . 1.46 111.307 177.327 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 80.43 0.92 88.03 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.982 -0.628 . . . . 0.67 112.818 178.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 586' ' ' GLU . . . . . 0.432 ' O ' ' HA ' ' A' ' 582' ' ' ILE . 17.1 mm-40 -101.14 126.37 47.84 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 110.183 -0.302 . . . . 1.93 110.183 -178.732 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 587' ' ' LYS . . . . . 0.416 ' HG2' HG12 ' A' ' 582' ' ' ILE . 36.3 mtmm -83.21 107.36 15.7 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.704 -0.48 . . . . 2.12 109.704 177.269 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 588' ' ' LEU . . . . . 0.52 HD12 ' CD1' ' A' ' 540' ' ' LEU . 32.3 mt -86.29 121.74 29.29 Favored 'General case' 0 CA--C 1.502 -0.869 0 CA-C-N 115.792 -0.64 . . . . 0.28 110.183 -177.631 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 589' ' ' LEU . . . . . 0.442 ' HG ' ' HG3' ' A' ' 591' ' ' ARG . 18.6 tp -83.61 109.0 17.07 Favored 'General case' 0 N--CA 1.434 -1.244 0 N-CA-C 108.415 -0.957 . . . . 0.38 108.415 175.248 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 590' ' ' ILE . . . . . 0.42 ' O ' HG13 ' A' ' 573' ' ' VAL . 49.5 mt -95.12 117.1 38.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 108.69 -0.856 . . . . 0.17 108.69 -179.397 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 591' ' ' ARG . . . . . 0.477 ' HA ' HG13 ' A' ' 573' ' ' VAL . 66.1 mtm180 -132.33 162.29 31.43 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 113.528 0.936 . . . . 3.0 113.528 -170.151 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 592' ' ' MET . . . . . 0.564 ' HG2' HG11 ' A' ' 573' ' ' VAL . 0.1 OUTLIER -76.15 129.61 37.03 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 114.783 -1.099 . . . . 0.33 110.792 -177.775 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 593' ' ' SER . . . . . 0.426 ' OG ' ' HB3' ' A' ' 523' ' ' HIS . 16.7 m -87.68 126.45 34.98 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.664 0.269 . . . . 1.04 110.777 175.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 14.8 t -98.3 -7.23 29.4 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.576 0.703 . . . . 1.6 109.561 176.475 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 60.8 mtp180 -91.63 -11.11 38.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.425 -0.807 . . . . 2.94 111.363 -179.124 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 58.1 m-85 -131.96 132.67 43.71 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.8 0.333 . . . . 0.93 110.697 -178.01 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -92.48 -41.5 10.25 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.569 0.699 . . . . 3.4 110.261 170.374 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 598' ' ' GLU . . . . . 0.449 ' HB2' ' HG2' ' A' ' 515' ' ' ARG . 15.7 pt-20 -156.21 149.62 24.62 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.931 -0.577 . . . . 2.02 110.757 -178.412 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 599' ' ' LEU . . . . . . . . . . . . . 94.5 mt -89.46 112.53 23.71 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.556 -0.747 . . . . 1.02 110.592 -177.147 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 -99.57 94.47 6.41 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.937 -0.574 . . . . 2.87 110.714 -178.148 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 601' ' ' LEU . . . . . 0.517 HD21 ' O ' ' A' ' 550' ' ' TYR . 93.1 mt -77.72 76.77 4.25 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.653 -0.703 . . . . 1.47 110.574 177.765 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 81.4 tttt 58.87 43.95 17.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.955 0.884 . . . . 5.4 108.969 -177.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -118.36 118.88 33.6 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-N 114.755 -1.111 . . . . 5.81 109.743 -177.053 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 604' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_endo -81.25 -0.55 10.59 Favored 'Trans proline' 0 C--O 1.234 0.298 0 C-N-CA 122.569 2.179 . . . . 6.24 112.202 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 605' ' ' GLY . . . . . . . . . . . . . . . 104.33 148.14 18.14 Favored Glycine 0 N--CA 1.445 -0.749 0 CA-C-N 115.671 -0.695 . . . . 6.9 111.644 -177.492 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? -83.51 81.78 8.58 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.331 -0.618 . . . . 8.87 109.331 179.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -112.3 -16.77 12.89 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.985 -0.552 . . . . 9.21 112.004 -170.29 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 99.4 t -64.92 -38.95 84.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 121.139 0.495 . . . . 9.63 110.562 -179.323 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -116.35 92.23 3.82 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.372 -0.603 . . . . 9.47 109.372 173.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -53.93 115.8 2.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.832 -0.622 . . . . 9.11 112.014 -174.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 4.1 mp -79.99 99.1 3.62 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.706 0 N-CA-C 108.944 -0.762 . . . . 8.31 108.944 175.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 612' ' ' ILE . . . . . . . . . . . . . 42.3 mt -84.7 62.04 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-O 121.714 0.769 . . . . 8.86 109.464 -177.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 613' ' ' GLN . . . . . 0.455 ' HA ' ' O ' ' A' ' 617' ' ' SER . 27.1 mt-30 52.52 38.07 24.65 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 114.645 -1.161 . . . . 10.28 111.617 -177.279 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -72.35 -61.93 1.62 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.715 -0.675 . . . . 10.41 110.435 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 615' ' ' ILE . . . . . 0.403 HD12 ' O ' ' A' ' 615' ' ' ILE . 1.2 pp -132.3 128.72 58.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.809 -0.632 . . . . 8.61 111.391 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 616' ' ' HIS . . . . . 0.456 ' C ' ' HA3' ' A' ' 517' ' ' GLY . 36.5 m80 70.09 -58.72 0.53 Allowed 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 123.705 0.802 . . . . 6.75 112.376 177.562 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 617' ' ' SER . . . . . 0.527 ' HA ' ' CA ' ' A' ' 517' ' ' GLY . 49.8 m -61.07 124.77 21.49 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.473 0.545 . . . . 6.99 112.473 -174.323 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 618' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -99.08 18.07 18.25 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.296 -0.866 . . . . 9.26 108.956 172.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 25.8 mmm180 -135.98 161.0 36.88 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.412 -1.267 . . . . 12.9 109.253 178.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 620' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -107.4 177.5 4.82 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.822 0.344 . . . . 11.34 110.335 179.603 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 13.3 mmm180 . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.362 -0.827 . . . . 11.46 109.209 173.575 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.722 0 N-CA-C 111.898 -0.481 . . . . 6.72 111.898 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . -87.3 -57.71 2.86 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.794 0.331 . . . . 5.43 111.449 -178.308 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 20.8 ptp -103.93 -166.04 1.21 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.425 -0.352 . . . . 6.23 110.755 -176.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . 69.14 -137.71 0.08 Allowed 'General case' 0 C--O 1.233 0.192 0 O-C-N 123.727 0.642 . . . . 2.28 111.366 -178.535 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 514' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -67.46 80.34 0.16 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.952 0.406 . . . . 5.14 111.985 -171.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 70.5 mtp180 -75.38 -54.25 7.37 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 108.596 -0.89 . . . . 6.6 108.596 175.065 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 516' ' ' LYS . . . . . 0.549 ' HG2' ' HB3' ' A' ' 616' ' ' HIS . 97.8 mttt -106.27 -25.32 12.01 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.994 -1.003 . . . . 5.25 110.145 173.372 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 517' ' ' GLY . . . . . 0.441 ' C ' ' H ' ' A' ' 519' ' ' GLY . . . 79.89 -8.77 48.75 Favored Glycine 0 N--CA 1.449 -0.49 0 N-CA-C 111.022 -0.831 . . . . 3.29 111.022 -175.492 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 518' ' ' ALA . . . . . 0.452 ' HA ' ' N ' ' A' ' 566' ' ' THR . . . 72.62 -27.38 0.18 Allowed 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 124.685 1.194 . . . . 2.38 112.123 179.745 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 519' ' ' GLY . . . . . 0.441 ' H ' ' C ' ' A' ' 517' ' ' GLY . . . 64.81 13.72 57.03 Favored Glycine 0 N--CA 1.442 -0.909 0 N-CA-C 110.95 -0.86 . . . . 1.58 110.95 -172.454 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 520' ' ' ARG . . . . . 0.44 HH11 ' HD3' ' A' ' 520' ' ' ARG . 52.3 mtt180 -147.57 142.54 26.96 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-O 121.061 0.458 . . . . 2.39 111.061 -173.609 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 60.7 t -118.75 138.47 49.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 115.35 -0.841 . . . . 0.44 109.927 175.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 522' ' ' VAL . . . . . . . . . . . . . 89.3 t -99.11 130.92 47.32 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.877 0 CA-C-O 121.227 0.537 . . . . 0.25 110.312 179.228 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -106.04 123.27 47.73 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.476 -0.783 . . . . 1.75 109.747 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 524' ' ' ILE . . . . . 0.536 HD12 HG13 ' A' ' 537' ' ' VAL . 77.5 mt -103.76 132.1 50.93 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.891 0 CA-C-N 115.426 -0.807 . . . . 0.28 109.325 179.695 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 525' ' ' CYS . . . . . 0.459 ' SG ' ' HB3' ' A' ' 589' ' ' LEU . 2.1 p -126.75 172.27 10.48 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.154 -0.476 . . . . 1.28 111.276 -174.352 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 68.59 25.96 6.48 Favored 'General case' 0 N--CA 1.468 0.436 0 O-C-N 124.116 0.885 . . . . 1.22 110.59 -176.622 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 527' ' ' LEU . . . . . 0.44 HD21 HD13 ' A' ' 588' ' ' LEU . 85.0 mt -81.6 121.99 80.23 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 115.863 -0.608 . . . . 0.6 110.56 -178.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 528' ' ' PRO . . . . . 0.446 ' HD2' ' SG ' ' A' ' 532' ' ' CYS . 32.2 Cg_endo -67.28 130.55 22.82 Favored 'Trans proline' 0 N--CA 1.46 -0.466 0 C-N-CA 121.706 1.604 . . . . 0.62 111.313 176.188 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -68.51 125.72 27.39 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.063 -0.517 . . . . 2.98 111.607 -176.514 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 85.29 -16.41 39.25 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 121.044 -0.598 . . . . 0.94 112.699 176.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 531' ' ' SER . . . . . 0.405 ' HB2' ' HG2' ' A' ' 528' ' ' PRO . 18.1 m -91.83 -25.86 18.79 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.965 0.412 . . . . 1.17 110.659 -179.408 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 532' ' ' CYS . . . . . 0.446 ' SG ' ' HD2' ' A' ' 528' ' ' PRO . 38.0 m -85.94 138.91 31.66 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.141 -0.481 . . . . 0.77 110.507 179.055 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 44.1 p -110.68 169.84 8.49 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.75 -0.463 . . . . 0.54 109.75 175.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 534' ' ' GLU . . . . . 0.4 ' HG2' ' CD1' ' A' ' 552' ' ' LEU . 31.8 mt-10 -61.33 -42.66 99.05 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.315 -0.624 . . . . 1.32 109.315 175.286 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -61.9 -43.88 97.93 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.162 -0.926 . . . . 1.95 111.747 -175.539 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 536' ' ' ASP . . . . . 0.611 ' O ' ' HG ' ' A' ' 540' ' ' LEU . 13.7 m-20 -64.05 -48.05 77.78 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.817 0.341 . . . . 0.52 111.071 -176.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 537' ' ' VAL . . . . . 0.536 HG13 HD12 ' A' ' 524' ' ' ILE . 96.1 t -63.7 -45.0 98.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.939 -0.573 . . . . 0.25 111.302 -175.684 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 538' ' ' ILE . . . . . 0.473 ' O ' ' HG ' ' A' ' 542' ' ' LEU . 90.4 mt -67.12 -45.78 85.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.394 -0.366 . . . . 0.24 111.014 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 539' ' ' ASN . . . . . 0.562 ' O ' ' HD3' ' A' ' 543' ' ' PRO . 23.7 m-80 -66.25 -26.65 67.46 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.394 0.516 . . . . 1.07 112.394 -178.042 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 540' ' ' LEU . . . . . 0.611 ' HG ' ' O ' ' A' ' 536' ' ' ASP . 35.2 mt -68.01 -35.2 77.9 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.75 -0.38 . . . . 0.36 111.665 177.159 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -79.02 -37.78 24.52 Favored Glycine 0 N--CA 1.453 -0.18 0 C-N-CA 120.394 -0.907 . . . . 0.22 112.329 -178.687 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 542' ' ' LEU . . . . . 0.577 ' HA ' ' O ' ' A' ' 545' ' ' GLY . 96.9 mt -47.78 -45.08 60.0 Favored Pre-proline 0 CA--C 1.545 0.78 0 N-CA-C 115.112 1.523 . . . . 0.25 115.112 -175.139 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 543' ' ' PRO . . . . . 0.562 ' HD3' ' O ' ' A' ' 539' ' ' ASN . 30.6 Cg_exo -47.01 -35.07 17.98 Favored 'Trans proline' 0 C--N 1.361 1.206 0 C-N-CA 122.656 2.237 . . . . 0.19 115.67 -172.747 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 544' ' ' PHE . . . . . 0.452 ' HB2' ' CB ' ' A' ' 572' ' ' MET . 88.8 m-85 -111.79 -18.03 12.82 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 119.927 -0.709 . . . . 0.35 112.684 177.211 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 545' ' ' GLY . . . . . 0.577 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . -150.05 138.09 6.55 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.692 -0.766 . . . . 1.14 112.955 178.555 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 58.4 tptt -76.01 138.51 40.95 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.88 0.371 . . . . 1.56 111.37 -179.029 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 547' ' ' VAL . . . . . 0.484 ' HA ' ' O ' ' A' ' 562' ' ' GLU . 95.6 t -93.54 136.53 24.99 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.572 0 CA-C-N 115.35 -0.841 . . . . 0.25 110.812 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 39.9 p -104.31 -40.13 6.22 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.257 0.551 . . . . 0.37 111.597 179.625 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 68.1 m-80 -149.08 166.72 27.89 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.515 -0.92 . . . . 1.43 108.515 -178.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 41.4 p90 -146.64 149.84 34.28 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.535 -0.466 . . . . 0.47 111.04 177.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 551' ' ' ILE . . . . . 0.419 HD12 HD22 ' A' ' 599' ' ' LEU . 24.8 mt -130.85 123.31 54.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 109.003 -0.74 . . . . 0.37 109.003 173.307 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 552' ' ' LEU . . . . . 0.4 ' CD1' ' HG2' ' A' ' 534' ' ' GLU . 70.8 mt -111.27 114.41 27.58 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 115.905 -0.588 . . . . 0.45 110.708 -176.178 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 60.0 mtt -107.46 85.13 2.07 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.402 -0.592 . . . . 1.18 109.402 176.108 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.15 -30.42 69.55 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.538 -0.542 . . . . 1.45 109.538 -179.468 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 64.5 p -66.45 -31.27 71.91 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.301 -0.863 . . . . 1.11 111.965 -178.188 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 76.7 p -105.04 10.79 33.92 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-O 121.197 0.522 . . . . 0.88 110.23 -178.197 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 4.9 t30 57.34 42.44 24.96 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 114.81 -1.087 . . . . 2.35 110.843 177.218 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -147.13 152.99 39.38 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.067 0.46 . . . . 2.07 111.188 -175.466 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -130.57 146.19 52.04 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.378 -0.374 . . . . 0.27 110.349 175.689 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 560' ' ' PHE . . . . . 0.451 ' HB3' HD21 ' A' ' 599' ' ' LEU . 71.7 m-85 -124.8 128.85 49.36 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.959 -0.564 . . . . 0.33 109.569 179.613 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 561' ' ' LEU . . . . . 0.555 ' HB3' ' HE1' ' A' ' 563' ' ' MET . 15.1 tp -124.49 137.01 54.46 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.199 -0.455 . . . . 0.22 110.2 -172.604 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 562' ' ' GLU . . . . . 0.585 ' HB2' HD12 ' A' ' 599' ' ' LEU . 28.3 tt0 -107.13 139.33 41.74 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 122.421 0.289 . . . . 1.85 110.434 -175.55 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 563' ' ' MET . . . . . 0.574 ' HE2' ' SD ' ' A' ' 572' ' ' MET . 0.6 OUTLIER -114.4 153.3 30.11 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.569 0.699 . . . . 0.96 111.917 -176.105 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -75.25 -29.95 60.35 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 115.186 -0.915 . . . . 0.36 111.776 -176.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -127.87 144.14 51.1 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.171 -0.677 . . . . 1.27 109.171 -177.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 566' ' ' THR . . . . . 0.452 ' N ' ' HA ' ' A' ' 518' ' ' ALA . 2.2 t -61.67 -35.98 79.55 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.105 -0.498 . . . . 0.52 110.921 -179.548 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -67.66 -32.96 74.01 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.718 -0.673 . . . . 1.91 110.841 176.017 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 568' ' ' ALA . . . . . 0.519 ' HB1' ' CA ' ' A' ' 545' ' ' GLY . . . -61.93 -44.54 96.57 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.15 -0.477 . . . . 0.28 110.389 -176.63 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -68.1 -46.31 71.29 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.904 -0.589 . . . . 0.19 111.277 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 570' ' ' GLN . . . . . 0.507 ' O ' ' HG2' ' A' ' 574' ' ' GLN . 46.0 mt-30 -68.76 -46.01 69.92 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.378 -0.374 . . . . 1.21 111.774 -177.207 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -63.8 -41.74 97.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.385 -0.37 . . . . 0.31 111.593 -175.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 572' ' ' MET . . . . . 0.574 ' SD ' ' HE2' ' A' ' 563' ' ' MET . 14.9 ptp -65.34 -44.6 87.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.027 0.441 . . . . 0.62 109.949 179.74 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 573' ' ' VAL . . . . . 0.595 HG13 ' HA ' ' A' ' 591' ' ' ARG . 51.6 t -67.04 -37.59 79.64 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.655 0 CA-C-N 115.787 -0.642 . . . . 0.21 111.617 -176.116 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 574' ' ' GLN . . . . . 0.507 ' HG2' ' O ' ' A' ' 570' ' ' GLN . 28.9 mm-40 -60.13 -36.98 78.68 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.574 -0.528 . . . . 1.9 109.574 176.519 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -68.57 -47.53 66.57 Favored 'General case' 0 C--O 1.218 -0.58 0 CA-C-N 115.715 -0.675 . . . . 0.52 110.693 174.161 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 576' ' ' TYR . . . . . 0.482 ' CB ' ' HB ' ' A' ' 590' ' ' ILE . 21.1 m-85 -76.75 -17.84 58.82 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 113.18 0.807 . . . . 0.34 113.18 -173.2 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 62.0 mt-30 -79.06 -26.89 43.04 Favored 'General case' 0 C--N 1.318 -0.804 0 C-N-CA 120.013 -0.675 . . . . 1.84 110.932 174.399 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -96.7 -38.59 9.86 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.172 0.51 . . . . 2.07 110.715 177.466 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -129.94 82.32 66.8 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-N 115.692 -0.685 . . . . 2.07 109.548 176.008 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 580' ' ' PRO . . . . . 0.457 ' HB3' ' O ' ' A' ' 588' ' ' LEU . 14.7 Cg_exo -71.65 159.19 51.69 Favored 'Trans proline' 0 CA--C 1.529 0.272 0 C-N-CA 123.429 2.753 . . . . 0.19 112.87 -174.432 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -93.42 153.08 18.7 Favored 'General case' 0 C--O 1.222 -0.345 0 CA-C-N 116.142 -0.481 . . . . 0.2 110.284 -176.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 582' ' ' ILE . . . . . 0.47 HG12 ' HG2' ' A' ' 587' ' ' LYS . 56.8 mt -114.45 127.42 71.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 112.411 0.523 . . . . 0.54 112.411 -170.545 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 583' ' ' ILE . . . . . 0.441 HG22 HD22 ' A' ' 584' ' ' ASN . 16.9 mt -122.5 123.41 68.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.867 -0.606 . . . . 0.73 110.459 171.671 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 584' ' ' ASN . . . . . 0.441 HD22 HG22 ' A' ' 583' ' ' ILE . 53.8 m-80 51.71 45.74 27.65 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 115.905 -0.589 . . . . 1.46 112.109 -178.703 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 78.01 8.31 87.39 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.981 -0.628 . . . . 0.67 113.683 173.249 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -116.39 133.41 56.05 Favored 'General case' 0 N--CA 1.433 -1.32 0 CA-C-N 117.305 0.552 . . . . 1.93 109.86 178.386 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 587' ' ' LYS . . . . . 0.47 ' HG2' HG12 ' A' ' 582' ' ' ILE . 52.2 mtmt -83.51 107.87 16.27 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.016 -0.538 . . . . 2.12 110.152 179.261 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 588' ' ' LEU . . . . . 0.457 ' O ' ' HB3' ' A' ' 580' ' ' PRO . 37.6 mt -77.63 128.73 34.58 Favored 'General case' 0 CA--C 1.505 -0.776 0 CA-C-N 115.764 -0.653 . . . . 0.28 110.403 -176.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 589' ' ' LEU . . . . . 0.459 ' HB3' ' SG ' ' A' ' 525' ' ' CYS . 53.4 tp -82.8 108.16 15.94 Favored 'General case' 0 C--N 1.309 -1.164 0 N-CA-C 108.01 -1.107 . . . . 0.38 108.01 171.326 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 590' ' ' ILE . . . . . 0.482 ' HB ' ' CB ' ' A' ' 576' ' ' TYR . 59.4 mt -96.7 114.71 34.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 N-CA-C 107.412 -1.329 . . . . 0.17 107.412 177.631 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 591' ' ' ARG . . . . . 0.595 ' HA ' HG13 ' A' ' 573' ' ' VAL . 12.7 ptt180 -142.06 165.05 28.5 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.367 0.506 . . . . 3.0 112.367 -169.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 592' ' ' MET . . . . . 0.503 ' HG2' HG11 ' A' ' 573' ' ' VAL . 0.3 OUTLIER -72.2 128.33 35.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.532 -0.758 . . . . 0.33 110.506 -175.421 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 45.7 t -87.52 133.91 33.7 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.686 0.279 . . . . 1.04 110.513 178.645 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 2.9 p -98.84 -8.24 26.1 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.065 0.459 . . . . 1.6 110.881 174.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -77.13 -36.49 55.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.012 -0.54 . . . . 2.94 110.426 -179.266 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -119.1 135.51 54.62 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.191 0.519 . . . . 0.93 111.633 178.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 34.4 mtmm -90.47 -21.67 21.76 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.692 -0.855 . . . . 3.4 108.692 168.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -160.21 158.29 29.78 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.791 -1.095 . . . . 2.02 108.998 178.585 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 599' ' ' LEU . . . . . 0.585 HD12 ' HB2' ' A' ' 562' ' ' GLU . 98.6 mt -92.93 -61.75 1.52 Allowed 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 109.286 -0.635 . . . . 1.02 109.286 175.623 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 44.32 87.65 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 O-C-N 124.743 1.277 . . . . 2.87 111.56 -179.205 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 90.9 mt -64.25 -176.33 0.21 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.476 -0.784 . . . . 1.47 111.716 -176.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -54.66 -36.85 65.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.274 0.559 . . . . 5.4 109.514 174.486 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 50.7 mtpt -76.01 118.2 69.49 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 115.394 -0.821 . . . . 5.81 109.49 171.31 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 604' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -80.64 38.29 0.74 Allowed 'Trans proline' 0 N--CA 1.464 -0.239 0 C-N-CA 122.501 2.134 . . . . 6.24 112.387 -179.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 605' ' ' GLY . . . . . . . . . . . . . . . 66.11 -106.32 1.55 Allowed Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 121.008 -0.615 . . . . 6.9 111.795 -176.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -129.62 49.8 2.23 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.102 0.477 . . . . 8.87 110.444 -179.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -76.0 86.91 2.92 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.995 -0.548 . . . . 9.21 109.792 177.242 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 45.1 t -98.93 -58.12 4.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.847 -0.615 . . . . 9.63 109.92 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -99.4 -64.0 1.08 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.586 -0.734 . . . . 9.47 110.014 178.371 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -170.36 144.61 2.54 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.815 -0.629 . . . . 9.11 109.796 179.411 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 59.4 mt -112.85 82.64 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 N-CA-C 109.364 -0.606 . . . . 8.31 109.364 176.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 612' ' ' ILE . . . . . . . . . . . . . 52.8 mt -76.72 118.2 22.83 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.527 0 CA-C-N 115.743 -0.662 . . . . 8.86 109.436 179.74 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -107.7 13.81 26.19 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.861 -0.608 . . . . 10.28 111.683 -172.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -61.92 -51.45 68.09 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 108.866 -0.79 . . . . 10.41 108.866 174.508 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 615' ' ' ILE . . . . . . . . . . . . . 74.6 mt -100.0 112.27 32.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 107.806 -1.183 . . . . 8.61 107.806 164.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 616' ' ' HIS . . . . . 0.549 ' HB3' ' HG2' ' A' ' 516' ' ' LYS . 31.5 m80 -75.28 70.11 2.17 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.738 0.644 . . . . 6.75 112.738 -172.578 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 33.0 p -145.31 30.26 1.14 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.35 -0.841 . . . . 6.99 109.28 170.338 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 618' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 53.68 71.39 0.51 Allowed 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 114.8 -1.091 . . . . 9.26 111.527 -177.53 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 28.8 mmm180 -90.06 163.13 15.01 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.867 -0.606 . . . . 12.9 110.028 179.559 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 620' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -157.67 174.33 15.5 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.211 -0.449 . . . . 11.34 110.143 -179.097 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 68.5 mtm180 . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.527 -0.749 . . . . 11.46 109.725 174.509 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.763 0 N-CA-C 112.13 -0.388 . . . . 6.72 112.13 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . -144.41 116.62 8.44 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.796 0.332 . . . . 5.43 110.618 179.44 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 80.6 mtp -119.65 36.22 4.58 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.269 0.557 . . . . 6.23 110.092 179.669 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 513' ' ' ALA . . . . . 0.478 ' HA ' ' HB ' ' A' ' 548' ' ' THR . . . -64.71 136.33 56.83 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.454 -0.794 . . . . 2.28 110.563 178.081 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 514' ' ' GLN . . . . . 0.643 ' O ' ' HA ' ' A' ' 617' ' ' SER . 30.2 mm-40 -85.08 -17.69 36.61 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 110.212 -0.292 . . . . 5.14 110.212 177.715 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 515' ' ' ARG . . . . . 0.452 ' HB2' ' O ' ' A' ' 514' ' ' GLN . 88.0 mtt180 70.31 -34.14 0.28 Allowed 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.016 0.526 . . . . 6.6 111.543 -178.721 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 516' ' ' LYS . . . . . 0.479 ' H ' ' C ' ' A' ' 514' ' ' GLN . 28.1 mtpp -43.07 -39.93 2.93 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.53 -0.759 . . . . 5.25 110.931 171.763 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 517' ' ' GLY . . . . . 0.527 ' HA2' ' CG ' ' A' ' 562' ' ' GLU . . . 67.36 17.49 68.5 Favored Glycine 0 N--CA 1.443 -0.87 0 CA-C-N 114.879 -1.055 . . . . 3.29 111.512 -178.669 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 518' ' ' ALA . . . . . 0.517 ' HB1' ' HA ' ' A' ' 566' ' ' THR . . . 68.94 -22.59 0.14 Allowed 'General case' 0 N--CA 1.463 0.188 0 C-N-CA 123.661 0.784 . . . . 2.38 111.654 -175.327 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 519' ' ' GLY . . . . . 0.482 ' H ' ' C ' ' A' ' 517' ' ' GLY . . . 93.23 -3.6 72.93 Favored Glycine 0 N--CA 1.44 -1.064 0 N-CA-C 109.499 -1.44 . . . . 1.58 109.499 -168.57 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 87.6 mtt180 -150.13 138.83 20.77 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 114.65 -0.775 . . . . 2.39 109.667 179.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 521' ' ' VAL . . . . . 0.474 ' O ' ' HB3' ' A' ' 593' ' ' SER . 61.5 t -112.95 139.12 39.7 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.874 0 N-CA-C 109.025 -0.732 . . . . 0.44 109.025 174.54 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 522' ' ' VAL . . . . . . . . . . . . . 86.1 t -99.58 133.89 40.8 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.871 0 CA-C-O 120.61 0.243 . . . . 0.25 110.426 -178.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 3.8 p-80 -110.69 140.05 45.41 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.655 -0.418 . . . . 1.75 109.934 178.385 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 524' ' ' ILE . . . . . 0.613 HD12 HG13 ' A' ' 537' ' ' VAL . 77.8 mt -112.12 130.04 66.52 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 115.812 -0.631 . . . . 0.28 110.774 -178.72 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 66.7 m -111.1 174.9 5.64 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.675 -0.693 . . . . 1.28 110.894 -177.604 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 13.6 m120 68.82 27.05 5.82 Favored 'General case' 0 N--CA 1.467 0.422 0 O-C-N 123.724 0.64 . . . . 1.22 111.599 177.541 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 85.7 mt -88.4 119.6 70.23 Favored Pre-proline 0 C--N 1.321 -0.636 0 CA-C-N 116.524 -0.307 . . . . 0.6 111.229 -177.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 528' ' ' PRO . . . . . 0.82 ' HD2' ' SG ' ' A' ' 532' ' ' CYS . 22.3 Cg_exo -68.34 130.81 21.91 Favored 'Trans proline' 0 C--O 1.237 0.462 0 C-N-CA 122.157 1.905 . . . . 0.62 112.028 169.373 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.33 139.76 52.08 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.009 -0.541 . . . . 2.98 111.042 176.732 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 80.14 -19.47 6.64 Favored Glycine 0 CA--C 1.518 0.228 0 CA-C-N 116.168 -0.469 . . . . 0.94 113.808 173.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 9.5 t -100.79 -34.28 9.89 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 117.169 0.484 . . . . 1.17 110.701 -177.452 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 532' ' ' CYS . . . . . 0.82 ' SG ' ' HD2' ' A' ' 528' ' ' PRO . 58.3 m -80.85 142.53 33.56 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.706 -0.479 . . . . 0.77 109.706 176.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 62.0 p -105.87 159.02 16.35 Favored 'General case' 0 N--CA 1.442 -0.834 0 C-N-CA 120.346 -0.542 . . . . 0.54 109.614 176.015 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 534' ' ' GLU . . . . . 0.464 ' HG2' ' CD1' ' A' ' 552' ' ' LEU . 24.5 mt-10 -55.55 -38.13 68.88 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 109.127 -0.694 . . . . 1.32 109.127 175.643 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -61.48 -43.83 98.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.614 -1.175 . . . . 1.95 111.358 -177.305 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 536' ' ' ASP . . . . . 0.609 ' O ' ' HG ' ' A' ' 540' ' ' LEU . 25.8 m-20 -62.13 -47.45 84.49 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 121.033 0.445 . . . . 0.52 110.82 -178.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 537' ' ' VAL . . . . . 0.613 HG13 HD12 ' A' ' 524' ' ' ILE . 85.8 t -62.2 -43.34 97.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.63 -0.714 . . . . 0.25 110.911 -177.653 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 97.0 mt -66.84 -41.93 88.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.988 -0.551 . . . . 0.24 110.64 177.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 539' ' ' ASN . . . . . 0.642 ' O ' ' HD3' ' A' ' 543' ' ' PRO . 75.3 m-20 -64.26 -29.32 70.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.838 -0.619 . . . . 1.07 112.138 -179.097 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 540' ' ' LEU . . . . . 0.609 ' HG ' ' O ' ' A' ' 536' ' ' ASP . 30.5 mt -64.51 -38.64 91.73 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 111.997 0.369 . . . . 0.36 111.997 -177.51 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -79.4 -35.68 28.87 Favored Glycine 0 CA--C 1.518 0.246 0 C-N-CA 120.515 -0.85 . . . . 0.22 112.746 -177.261 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 542' ' ' LEU . . . . . . . . . . . . . 69.6 mt -49.02 -44.43 71.81 Favored Pre-proline 0 CA--C 1.549 0.916 0 N-CA-C 115.323 1.601 . . . . 0.25 115.323 -175.625 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 543' ' ' PRO . . . . . 0.642 ' HD3' ' O ' ' A' ' 539' ' ' ASN . 70.8 Cg_exo -50.22 -33.38 35.93 Favored 'Trans proline' 0 C--N 1.355 0.886 0 C-N-CA 122.088 1.859 . . . . 0.19 115.527 -172.549 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -111.02 -17.72 13.21 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 113.214 0.82 . . . . 0.35 113.214 177.556 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -131.03 -148.53 6.28 Favored Glycine 0 C--O 1.227 -0.303 0 C-N-CA 120.803 -0.713 . . . . 1.14 113.314 -179.074 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 546' ' ' LYS . . . . . 0.616 ' O ' ' HA ' ' A' ' 563' ' ' MET . 60.1 tptt -143.95 139.51 29.15 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 109.7 -0.482 . . . . 1.56 109.7 178.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 547' ' ' VAL . . . . . 0.453 ' HA ' ' O ' ' A' ' 562' ' ' GLU . 90.3 t -104.81 118.78 52.73 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.591 0 CA-C-O 121.124 0.488 . . . . 0.25 110.428 -178.812 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 548' ' ' THR . . . . . 0.478 ' HB ' ' HA ' ' A' ' 513' ' ' ALA . 31.5 p -94.0 -38.56 11.1 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 115.59 -0.732 . . . . 0.37 111.012 178.212 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -147.64 166.08 28.5 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.434 -0.803 . . . . 1.43 109.449 -175.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 3.2 p90 -149.79 148.81 29.64 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.988 -0.375 . . . . 0.47 109.988 174.354 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 551' ' ' ILE . . . . . 0.4 HD12 HD22 ' A' ' 599' ' ' LEU . 17.1 mt -137.61 123.13 25.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 121.357 0.599 . . . . 0.37 109.591 176.473 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 552' ' ' LEU . . . . . 0.464 ' CD1' ' HG2' ' A' ' 534' ' ' GLU . 84.0 mt -105.27 115.6 30.54 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.575 -0.739 . . . . 0.45 110.985 -177.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 24.4 mmt -101.82 84.33 2.53 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.644 -0.873 . . . . 1.18 108.644 173.46 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 31.1 mmtp -69.56 -29.07 66.55 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.879 -0.6 . . . . 1.45 110.913 -178.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 67.1 p -58.56 -35.8 72.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.837 -0.62 . . . . 1.11 111.183 177.534 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 69.4 p -101.17 5.49 42.71 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.172 0.511 . . . . 0.88 110.554 177.456 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 6.3 t30 56.93 42.64 25.99 Favored 'General case' 0 C--O 1.226 -0.164 0 CA-C-N 114.996 -1.002 . . . . 2.35 111.002 179.284 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -140.22 155.36 46.93 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.842 0.353 . . . . 2.07 110.581 -175.407 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -129.93 143.84 51.01 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.778 0.323 . . . . 0.27 111.086 -177.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 560' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -122.91 137.13 55.03 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.759 -0.655 . . . . 0.33 109.91 178.119 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 561' ' ' LEU . . . . . 0.52 ' HB3' ' HE1' ' A' ' 563' ' ' MET . 15.4 tp -127.04 133.51 50.49 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.18 -0.464 . . . . 0.22 109.928 -175.634 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 562' ' ' GLU . . . . . 0.527 ' CG ' ' HA2' ' A' ' 517' ' ' GLY . 28.1 tt0 -100.97 139.1 37.13 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-O 120.733 0.302 . . . . 1.85 110.6 -177.499 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 563' ' ' MET . . . . . 0.616 ' HA ' ' O ' ' A' ' 546' ' ' LYS . 0.7 OUTLIER -110.96 155.16 23.09 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.07 -0.514 . . . . 0.96 111.31 -179.171 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 564' ' ' ALA . . . . . 0.44 ' HA ' HG21 ' A' ' 548' ' ' THR . . . -66.32 -45.87 78.84 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.002 -0.545 . . . . 0.36 111.455 -177.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -133.53 155.92 48.73 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.793 -0.64 . . . . 1.27 109.612 -178.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 566' ' ' THR . . . . . 0.517 ' HA ' ' HB1' ' A' ' 518' ' ' ALA . 9.4 t -56.43 -35.06 67.41 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.765 0.317 . . . . 0.52 110.444 179.348 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -61.89 -33.97 75.19 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-N 115.979 -0.555 . . . . 1.91 111.064 177.519 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 568' ' ' ALA . . . . . 0.408 ' HB1' ' H ' ' A' ' 546' ' ' LYS . . . -67.67 -46.57 71.96 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.105 0.478 . . . . 0.28 110.101 -179.648 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . 0.423 ' HA ' ' HG2' ' A' ' 563' ' ' MET . . . -69.42 -46.98 65.52 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.481 -0.781 . . . . 0.19 111.949 -178.183 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 570' ' ' GLN . . . . . 0.419 HE21 ' HB3' ' A' ' 570' ' ' GLN . 1.5 pt20 -69.34 -42.22 75.59 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.614 -0.266 . . . . 1.21 111.207 -175.324 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -62.51 -45.08 94.64 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 120.709 0.29 . . . . 0.31 111.162 -177.399 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 572' ' ' MET . . . . . 0.509 ' HB2' ' CE1' ' A' ' 576' ' ' TYR . 19.7 ptp -66.46 -45.45 79.69 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 116.153 -0.476 . . . . 0.62 110.255 -178.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 573' ' ' VAL . . . . . 0.627 HG13 ' HA ' ' A' ' 591' ' ' ARG . 70.8 t -67.3 -36.73 77.47 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.471 0 CA-C-N 116.271 -0.422 . . . . 0.21 111.744 -176.128 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 25.8 mm-40 -58.59 -37.54 76.03 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.563 -0.532 . . . . 1.9 109.563 176.566 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 73.2 t80 -69.41 -49.92 50.67 Favored 'General case' 0 C--O 1.217 -0.611 0 CA-C-N 115.784 -0.643 . . . . 0.52 110.928 172.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 576' ' ' TYR . . . . . 0.509 ' CE1' ' HB2' ' A' ' 572' ' ' MET . 21.2 m-85 -72.89 -23.96 60.78 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 113.039 0.755 . . . . 0.34 113.039 -171.611 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -69.24 -30.45 68.59 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.307 -0.557 . . . . 1.84 110.51 174.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 39.7 mm-40 -97.39 -39.34 9.24 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.102 -0.499 . . . . 2.07 111.162 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -129.26 78.94 75.13 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 115.834 -0.621 . . . . 2.07 109.539 178.433 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -69.54 159.59 52.99 Favored 'Trans proline' 0 CA--C 1.533 0.431 0 C-N-CA 123.716 2.944 . . . . 0.19 113.733 -173.364 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 581' ' ' ALA . . . . . 0.444 ' HB1' HD22 ' A' ' 540' ' ' LEU . . . -92.33 153.97 18.87 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 115.543 -0.753 . . . . 0.2 110.906 -174.127 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 582' ' ' ILE . . . . . 0.475 HG12 ' HG2' ' A' ' 587' ' ' LYS . 75.6 mt -112.84 129.06 69.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 113.277 0.843 . . . . 0.54 113.277 -169.113 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 583' ' ' ILE . . . . . 0.438 HD12 HD11 ' A' ' 588' ' ' LEU . 18.2 mt -124.19 127.47 73.36 Favored 'Isoleucine or valine' 0 C--O 1.234 0.282 0 CA-C-N 115.298 -0.865 . . . . 0.73 109.418 167.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 59.71 33.77 21.93 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 122.873 0.469 . . . . 1.46 111.787 -179.567 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 82.21 -4.12 78.05 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.782 -0.723 . . . . 0.67 113.541 176.427 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -107.15 138.2 43.77 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 117.162 0.481 . . . . 1.93 110.328 179.785 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 587' ' ' LYS . . . . . 0.475 ' HG2' HG12 ' A' ' 582' ' ' ILE . 28.8 mtpp -82.97 117.23 22.65 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.954 -0.566 . . . . 2.12 110.317 -178.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 588' ' ' LEU . . . . . 0.438 HD11 HD12 ' A' ' 583' ' ' ILE . 38.2 mt -85.68 136.28 33.42 Favored 'General case' 0 CA--C 1.509 -0.633 0 CA-C-N 115.583 -0.735 . . . . 0.28 109.698 178.75 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 50.5 tp -83.26 109.76 17.51 Favored 'General case' 0 C--N 1.313 -0.98 0 C-N-CA 120.002 -0.679 . . . . 0.38 109.183 173.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 590' ' ' ILE . . . . . 0.464 ' HB ' ' CB ' ' A' ' 576' ' ' TYR . 44.1 mt -97.26 114.98 35.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 N-CA-C 107.463 -1.31 . . . . 0.17 107.463 176.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 591' ' ' ARG . . . . . 0.627 ' HA ' HG13 ' A' ' 573' ' ' VAL . 13.5 ptm180 -143.28 156.77 44.8 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.274 0.559 . . . . 3.0 112.469 -170.234 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 592' ' ' MET . . . . . 0.62 ' HG2' HG11 ' A' ' 573' ' ' VAL . 0.6 OUTLIER -64.03 125.02 23.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.067 -0.97 . . . . 0.33 109.997 -178.004 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 593' ' ' SER . . . . . 0.474 ' HB3' ' O ' ' A' ' 521' ' ' VAL . 29.9 t -89.57 135.84 33.37 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.874 0.369 . . . . 1.04 110.188 177.585 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 16.7 p -97.43 -4.05 38.96 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.381 0.61 . . . . 1.6 110.182 175.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -84.35 -25.25 29.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.37 -0.832 . . . . 2.94 111.376 -176.288 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 47.4 m-85 -131.3 132.88 44.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.041 0.448 . . . . 0.93 111.295 177.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 28.6 ttpp -92.03 -29.17 16.73 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.563 -0.744 . . . . 3.4 109.711 172.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -157.71 145.53 18.72 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 114.975 -1.011 . . . . 2.02 109.396 -178.441 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 599' ' ' LEU . . . . . 0.413 HD12 ' HB2' ' A' ' 562' ' ' GLU . 77.2 mt -92.92 108.39 19.96 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.497 0.665 . . . . 1.02 111.0 -179.615 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 30.1 mm-40 -92.31 92.96 8.39 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.694 -0.684 . . . . 2.87 109.847 178.037 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 75.8 mt -55.02 130.13 40.54 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.42 -0.809 . . . . 1.47 110.581 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -77.6 71.24 4.07 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.603 0.716 . . . . 5.4 110.262 -177.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -110.69 143.93 29.22 Favored Pre-proline 0 C--N 1.32 -0.697 0 CA-C-N 115.197 -0.911 . . . . 5.81 109.542 -178.524 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 604' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -72.24 -12.22 27.51 Favored 'Trans proline' 0 C--O 1.233 0.248 0 C-N-CA 122.41 2.073 . . . . 6.24 111.279 175.102 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 605' ' ' GLY . . . . . . . . . . . . . . . -161.53 148.64 16.51 Favored Glycine 0 N--CA 1.444 -0.805 0 N-CA-C 110.654 -0.978 . . . . 6.9 110.654 176.183 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 44.8 mmtm -102.47 -62.71 1.23 Allowed 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 117.026 0.413 . . . . 8.87 110.716 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -161.44 159.95 28.73 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.736 -0.468 . . . . 9.21 109.736 -177.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 40.8 t -49.04 -65.8 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 O-C-N 123.552 0.533 . . . . 9.63 111.754 -176.11 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -102.8 42.47 1.15 Allowed 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.891 -0.411 . . . . 9.47 109.891 178.224 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . 62.47 180.0 0.14 Allowed 'General case' 0 CA--C 1.527 0.068 0 CA-C-N 115.395 -0.82 . . . . 9.11 110.761 -176.064 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 60.0 mt -103.27 75.44 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 N-CA-C 109.094 -0.706 . . . . 8.31 109.094 179.053 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 612' ' ' ILE . . . . . . . . . . . . . 73.6 mt -119.43 96.28 4.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.415 -0.812 . . . . 8.86 110.372 -176.6 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 26.1 mm-40 -66.2 -59.26 3.91 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.323 -0.853 . . . . 10.28 109.947 177.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -140.18 -108.1 0.16 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.67 -0.695 . . . . 10.41 109.657 177.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 615' ' ' ILE . . . . . . . . . . . . . 2.5 pp -111.33 1.2 9.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.583 0.706 . . . . 8.61 109.652 172.309 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 20.6 m170 -83.8 58.74 4.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.341 -0.845 . . . . 6.75 109.94 178.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 617' ' ' SER . . . . . 0.643 ' HA ' ' O ' ' A' ' 514' ' ' GLN . 18.4 t -163.09 158.78 22.39 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.307 -0.406 . . . . 6.99 110.187 -177.151 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 618' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -106.83 165.63 11.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.242 -0.436 . . . . 9.26 109.966 177.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 51.4 mtt180 56.56 55.45 6.44 Favored 'General case' 0 C--O 1.235 0.325 0 O-C-N 123.527 0.517 . . . . 12.9 110.901 -178.675 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 620' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -75.59 108.78 8.65 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.81 -0.632 . . . . 11.34 110.94 -178.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 29.0 mtp180 . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.007 -0.996 . . . . 11.46 111.19 177.093 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.646 0 N-CA-C 111.937 -0.465 . . . . 6.72 111.937 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . 69.77 5.87 5.44 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 123.285 0.634 . . . . 5.43 111.511 179.66 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 512' ' ' MET . . . . . 0.404 ' HA ' ' NH2' ' A' ' 515' ' ' ARG . 24.8 mmt -92.34 -45.18 8.32 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.258 0.551 . . . . 6.23 109.625 178.55 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -95.75 162.26 13.68 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.687 -0.688 . . . . 2.28 109.205 173.388 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 514' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 70.4 -45.55 0.6 Allowed 'General case' 0 N--CA 1.466 0.374 0 O-C-N 123.858 0.724 . . . . 5.14 110.686 -173.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 515' ' ' ARG . . . . . 0.404 ' NH2' ' HA ' ' A' ' 512' ' ' MET . 1.5 mmp_? 71.99 -60.13 0.53 Allowed 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 124.028 0.931 . . . . 6.6 111.348 175.512 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 516' ' ' LYS . . . . . 0.403 ' C ' ' H ' ' A' ' 518' ' ' ALA . 28.1 mmtp -84.86 165.02 18.06 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.589 -0.523 . . . . 5.25 109.589 173.695 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -78.12 35.05 1.71 Allowed Glycine 0 N--CA 1.453 -0.183 0 C-N-CA 121.102 -0.57 . . . . 3.29 112.359 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 518' ' ' ALA . . . . . 0.403 ' H ' ' C ' ' A' ' 516' ' ' LYS . . . -143.08 -82.43 0.18 Allowed 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.712 -0.477 . . . . 2.38 109.712 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 74.54 135.08 0.36 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 121.038 -0.601 . . . . 1.58 112.475 179.36 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 47.0 mtt180 -139.12 153.29 47.97 Favored 'General case' 0 C--N 1.322 -0.587 0 O-C-N 122.691 -0.299 . . . . 2.39 110.551 178.155 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 95.0 t -110.03 134.02 53.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.883 -0.599 . . . . 0.44 110.541 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 522' ' ' VAL . . . . . 0.413 HG22 ' HE3' ' A' ' 592' ' ' MET . 48.0 t -107.84 133.92 51.22 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.941 0 CA-C-N 115.638 -0.71 . . . . 0.25 109.272 176.388 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 523' ' ' HIS . . . . . 0.566 ' HB3' ' OG ' ' A' ' 593' ' ' SER . 8.2 p-80 -111.91 140.29 46.69 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.281 0.562 . . . . 1.75 110.481 -178.508 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 524' ' ' ILE . . . . . 0.536 HD12 HG13 ' A' ' 537' ' ' VAL . 76.7 mt -113.32 130.46 67.24 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.86 0 CA-C-N 115.193 -0.912 . . . . 0.28 110.365 -179.765 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 22.0 p -120.27 175.31 6.01 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.959 -0.564 . . . . 1.28 110.274 -179.005 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 18.6 m120 67.11 29.78 7.69 Favored 'General case' 0 N--CA 1.467 0.385 0 O-C-N 123.533 0.52 . . . . 1.22 110.755 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 78.5 mt -80.73 122.08 81.8 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 115.785 -0.643 . . . . 0.6 110.799 -176.267 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 528' ' ' PRO . . . . . 0.47 ' HD2' ' SG ' ' A' ' 532' ' ' CYS . 39.9 Cg_endo -68.26 130.21 20.82 Favored 'Trans proline' 0 N--CA 1.459 -0.528 0 C-N-CA 121.821 1.68 . . . . 0.62 111.421 177.788 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -68.45 125.41 26.39 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.654 -0.703 . . . . 2.98 110.88 -177.524 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 82.28 -15.89 26.25 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.98 -0.628 . . . . 0.94 113.659 176.378 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 46.6 t -89.93 -36.7 14.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 117.41 0.605 . . . . 1.17 110.938 -177.662 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 532' ' ' CYS . . . . . 0.47 ' SG ' ' HD2' ' A' ' 528' ' ' PRO . 74.6 m -87.01 138.95 31.06 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.633 -0.258 . . . . 0.77 110.733 176.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 81.5 p -105.68 169.82 8.25 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.44 -0.578 . . . . 0.54 109.44 174.093 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 534' ' ' GLU . . . . . 0.53 ' HG3' ' CD1' ' A' ' 552' ' ' LEU . 1.6 mp0 -57.0 -44.34 82.68 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.04 0.447 . . . . 1.32 110.342 -179.748 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -61.86 -41.88 98.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.652 -0.704 . . . . 1.95 111.698 -176.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 536' ' ' ASP . . . . . 0.476 ' O ' ' HG ' ' A' ' 540' ' ' LEU . 60.6 m-20 -58.9 -47.53 84.65 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 120.961 0.41 . . . . 0.52 110.655 -176.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 537' ' ' VAL . . . . . 0.536 HG13 HD12 ' A' ' 524' ' ' ILE . 48.4 t -63.35 -45.69 97.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.457 -0.792 . . . . 0.25 110.532 -177.356 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 92.6 mt -62.93 -40.42 88.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.777 -0.647 . . . . 0.24 111.005 178.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 539' ' ' ASN . . . . . 0.642 ' O ' ' HD3' ' A' ' 543' ' ' PRO . 0.9 OUTLIER -69.27 -28.75 66.57 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.906 -0.588 . . . . 1.07 112.104 -176.846 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 540' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' A' ' 536' ' ' ASP . 24.2 mt -64.11 -33.07 74.94 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.678 0.622 . . . . 0.36 112.678 -176.414 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -78.27 -32.1 44.49 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 119.906 -1.14 . . . . 0.22 111.953 179.627 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 542' ' ' LEU . . . . . 0.619 HD12 ' HA ' ' A' ' 539' ' ' ASN . 96.1 mt -53.82 -39.42 73.1 Favored Pre-proline 0 CA--C 1.549 0.922 0 N-CA-C 115.406 1.632 . . . . 0.25 115.406 -173.344 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 543' ' ' PRO . . . . . 0.642 ' HD3' ' O ' ' A' ' 539' ' ' ASN . 79.7 Cg_exo -53.39 -34.24 70.19 Favored 'Trans proline' 0 C--N 1.355 0.916 0 CA-C-N 121.258 1.485 . . . . 0.19 115.05 -174.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 544' ' ' PHE . . . . . 0.505 ' HB2' ' CB ' ' A' ' 572' ' ' MET . 90.6 m-85 -111.26 -18.47 12.94 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 113.094 0.775 . . . . 0.35 113.094 177.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 545' ' ' GLY . . . . . 0.567 ' CA ' ' HB1' ' A' ' 568' ' ' ALA . . . -131.61 -159.6 9.51 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.718 -0.753 . . . . 1.14 113.38 -179.434 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 546' ' ' LYS . . . . . 0.628 ' O ' ' HA ' ' A' ' 563' ' ' MET . 55.8 tttp -136.44 137.84 40.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 122.595 -0.356 . . . . 1.56 110.391 175.234 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 547' ' ' VAL . . . . . 0.497 ' HA ' ' O ' ' A' ' 562' ' ' GLU . 94.0 t -95.67 133.4 36.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 123.509 0.505 . . . . 0.25 111.049 -178.131 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 36.4 p -107.86 -38.14 5.91 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.759 -0.655 . . . . 0.37 111.288 175.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 43.9 m-20 -148.71 165.78 30.35 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.898 -0.592 . . . . 1.43 110.095 -176.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 550' ' ' TYR . . . . . 0.572 ' O ' HD11 ' A' ' 601' ' ' LEU . 7.8 p90 -147.82 148.59 31.06 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.055 0.455 . . . . 0.47 111.05 177.026 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 551' ' ' ILE . . . . . 0.451 HD12 HD22 ' A' ' 599' ' ' LEU . 25.8 mt -133.14 121.48 43.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 108.59 -0.893 . . . . 0.37 108.59 171.453 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 552' ' ' LEU . . . . . 0.53 ' CD1' ' HG3' ' A' ' 534' ' ' GLU . 77.3 mt -112.1 115.55 29.06 Favored 'General case' 0 C--N 1.312 -1.026 0 CA-C-N 116.02 -0.537 . . . . 0.45 111.585 -175.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 66.7 mtt -108.36 84.66 1.98 Allowed 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.094 -0.706 . . . . 1.18 109.094 173.628 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 27.8 mmtp -68.26 -35.54 78.05 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.311 -0.859 . . . . 1.45 110.634 -175.588 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 65.1 p -68.5 -23.07 64.51 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.595 -0.73 . . . . 1.11 112.123 -177.457 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 76.6 p -107.09 10.28 30.23 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.946 -0.302 . . . . 0.88 111.342 179.201 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 57.17 44.06 22.92 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 115.633 -0.712 . . . . 2.35 110.872 178.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -140.97 148.7 40.76 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.083 0.468 . . . . 2.07 110.831 -178.366 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 559' ' ' ALA . . . . . 0.5 ' O ' ' HA ' ' A' ' 523' ' ' HIS . . . -134.92 143.37 46.88 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 116.01 -0.541 . . . . 0.27 110.021 177.346 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 560' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -125.95 127.02 45.3 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.834 -0.432 . . . . 0.33 109.834 178.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 14.5 tp -126.72 129.95 49.4 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.026 -0.534 . . . . 0.22 109.782 -175.319 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 562' ' ' GLU . . . . . 0.497 ' O ' ' HA ' ' A' ' 547' ' ' VAL . 40.8 tt0 -99.21 137.97 36.97 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-O 120.647 0.261 . . . . 1.85 110.481 -174.517 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 563' ' ' MET . . . . . 0.628 ' HA ' ' O ' ' A' ' 546' ' ' LYS . 20.3 mmt -113.61 136.37 52.9 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.011 -0.54 . . . . 0.96 111.624 -175.194 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -65.05 -21.2 66.79 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-N 114.956 -1.02 . . . . 0.36 112.183 -176.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 565' ' ' TYR . . . . . 0.42 ' HB2' ' HB2' ' A' ' 568' ' ' ALA . 41.7 m-85 -130.78 139.89 50.26 Favored 'General case' 0 C--N 1.315 -0.933 0 N-CA-C 109.229 -0.656 . . . . 1.27 109.229 -177.81 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 15.0 t -66.85 -29.39 69.29 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.523 -0.547 . . . . 0.52 109.523 176.132 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -66.21 -40.5 90.4 Favored 'General case' 0 CA--C 1.511 -0.521 0 CA-C-N 115.837 -0.62 . . . . 1.91 110.019 173.052 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 568' ' ' ALA . . . . . 0.567 ' HB1' ' CA ' ' A' ' 545' ' ' GLY . . . -61.33 -46.33 90.71 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.407 -0.815 . . . . 0.28 110.687 -177.249 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . 0.448 ' HB1' ' HE1' ' A' ' 592' ' ' MET . . . -67.92 -47.7 68.01 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.192 -0.458 . . . . 0.19 111.693 -177.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 570' ' ' GLN . . . . . 0.587 ' O ' ' HG2' ' A' ' 574' ' ' GLN . 47.7 mt-30 -68.73 -45.79 70.59 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.564 -0.289 . . . . 1.21 111.334 -176.762 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -63.9 -45.37 89.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.511 -0.313 . . . . 0.31 111.625 -175.613 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 572' ' ' MET . . . . . 0.505 ' CB ' ' HB2' ' A' ' 544' ' ' PHE . 18.6 ptp -62.2 -43.76 98.1 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.053 0.454 . . . . 0.62 110.076 -178.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 573' ' ' VAL . . . . . 0.635 HG13 ' HA ' ' A' ' 591' ' ' ARG . 93.8 t -66.91 -35.96 76.01 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.752 0 CA-C-N 115.753 -0.658 . . . . 0.21 111.261 -178.116 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 574' ' ' GLN . . . . . 0.587 ' HG2' ' O ' ' A' ' 570' ' ' GLN . 29.1 mm-40 -58.63 -37.43 75.89 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.504 -0.554 . . . . 1.9 109.504 177.187 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 83.3 t80 -68.91 -49.6 56.74 Favored 'General case' 0 C--O 1.218 -0.563 0 CA-C-N 115.788 -0.642 . . . . 0.52 110.944 172.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 576' ' ' TYR . . . . . 0.483 ' CB ' ' HB ' ' A' ' 590' ' ' ILE . 25.4 m-85 -74.0 -17.02 61.04 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 112.894 0.702 . . . . 0.34 112.894 -172.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 17.7 mm-40 -73.96 -29.84 62.21 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-O 120.976 0.417 . . . . 1.84 110.231 173.121 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -98.25 -40.34 8.4 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.092 -0.503 . . . . 2.07 111.541 179.632 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -130.44 81.06 69.06 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-N 115.707 -0.679 . . . . 2.07 109.534 176.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_exo -67.74 159.9 50.66 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 123.515 2.81 . . . . 0.19 111.926 -175.497 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -91.71 135.93 33.52 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.927 0.394 . . . . 0.2 110.692 -172.421 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 45.3 mt -106.69 129.95 59.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-N 115.995 -0.548 . . . . 0.54 111.148 -173.33 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 583' ' ' ILE . . . . . 0.412 HD12 HD11 ' A' ' 588' ' ' LEU . 47.7 mt -121.81 117.95 54.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.353 -0.385 . . . . 0.73 110.367 176.026 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 52.85 44.73 29.96 Favored 'General case' 0 N--CA 1.464 0.262 0 O-C-N 123.703 0.627 . . . . 1.46 111.416 176.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 85.88 -4.11 86.28 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.98 -0.629 . . . . 0.67 113.386 176.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 60.2 mm-40 -101.94 126.58 48.89 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 117.19 0.495 . . . . 1.93 110.763 -179.245 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -84.48 107.14 16.57 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.772 -0.455 . . . . 2.12 109.772 178.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 588' ' ' LEU . . . . . 0.47 HD12 ' CD1' ' A' ' 540' ' ' LEU . 42.2 mt -89.17 123.22 33.22 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.178 -0.465 . . . . 0.28 110.297 -179.507 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 36.2 tp -83.03 109.2 16.9 Favored 'General case' 0 N--CA 1.437 -1.08 0 N-CA-C 108.47 -0.937 . . . . 0.38 108.47 174.606 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 590' ' ' ILE . . . . . 0.483 ' HB ' ' CB ' ' A' ' 576' ' ' TYR . 35.2 mt -95.94 115.24 34.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 N-CA-C 107.834 -1.173 . . . . 0.17 107.834 178.755 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 591' ' ' ARG . . . . . 0.635 ' HA ' HG13 ' A' ' 573' ' ' VAL . 13.5 ptm180 -142.35 158.78 43.34 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 113.055 0.761 . . . . 3.0 113.055 -169.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 592' ' ' MET . . . . . 0.618 ' HG2' HG11 ' A' ' 573' ' ' VAL . 0.1 OUTLIER -64.12 134.33 54.69 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.006 -0.997 . . . . 0.33 111.395 -174.89 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 593' ' ' SER . . . . . 0.566 ' OG ' ' HB3' ' A' ' 523' ' ' HIS . 19.3 m -88.78 127.1 35.6 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.624 0.25 . . . . 1.04 111.407 176.161 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 9.3 t -95.14 -23.34 17.34 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.244 -0.65 . . . . 1.6 109.244 171.663 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 39.6 mmt180 -71.4 -32.53 68.53 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.462 -0.79 . . . . 2.94 111.127 -178.257 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -124.78 130.95 53.39 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 110.25 -0.278 . . . . 0.93 110.25 179.002 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 44.0 mmtm -93.49 -35.52 12.91 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.303 0.573 . . . . 3.4 109.689 172.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -147.04 148.93 32.16 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.236 -0.893 . . . . 2.02 109.922 178.701 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 599' ' ' LEU . . . . . 0.451 HD22 HD12 ' A' ' 551' ' ' ILE . 80.1 mt -95.18 103.56 15.42 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.702 -0.481 . . . . 1.02 109.702 175.456 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -83.39 76.68 9.9 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-O 121.137 0.494 . . . . 2.87 110.885 -175.53 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 601' ' ' LEU . . . . . 0.572 HD11 ' O ' ' A' ' 550' ' ' TYR . 72.2 mt -88.44 152.02 22.17 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.903 -0.59 . . . . 1.47 110.233 177.143 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.87 29.94 0.88 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.279 0.561 . . . . 5.4 110.867 178.066 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 29.9 mtpp -98.4 114.17 64.95 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 115.717 -0.674 . . . . 5.81 109.843 178.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 604' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -82.38 167.99 15.06 Favored 'Trans proline' 0 N--CA 1.459 -0.521 0 C-N-CA 122.703 2.269 . . . . 6.24 112.601 -178.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 605' ' ' GLY . . . . . . . . . . . . . . . -107.2 88.65 0.55 Allowed Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.841 -0.695 . . . . 6.9 111.659 178.355 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -115.1 -51.97 2.7 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.093 0.473 . . . . 8.87 110.438 -178.548 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -97.98 128.25 44.43 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.776 -0.647 . . . . 9.21 110.419 -178.256 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 59.9 t 73.8 -55.16 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 C-N-CA 123.454 0.701 . . . . 9.63 111.411 178.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -56.2 103.21 0.1 Allowed 'General case' 0 N--CA 1.452 -0.359 0 O-C-N 123.495 0.497 . . . . 9.47 110.498 179.21 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -59.62 117.71 5.25 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.202 -0.908 . . . . 9.11 111.346 -177.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 67.4 mt -69.06 96.19 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.596 -0.729 . . . . 8.31 110.29 175.028 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 612' ' ' ILE . . . . . . . . . . . . . 68.9 mt -114.49 101.12 11.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.117 -0.492 . . . . 8.86 110.319 179.45 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -117.43 28.12 8.66 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.222 0.534 . . . . 10.28 110.486 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -166.7 114.83 0.86 Allowed 'General case' 0 N--CA 1.445 -0.717 0 N-CA-C 108.36 -0.978 . . . . 10.41 108.36 -178.275 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 615' ' ' ILE . . . . . . . . . . . . . 25.3 mt 62.54 83.29 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 CA-C-N 114.624 -1.171 . . . . 8.61 109.73 -174.212 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 12.1 m170 -81.1 16.18 1.62 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.764 -0.653 . . . . 6.75 111.429 -172.161 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 8.4 t -112.9 13.64 19.63 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.245 0.545 . . . . 6.99 109.691 176.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 618' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -78.89 159.9 27.54 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.751 -0.659 . . . . 9.26 110.489 177.148 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 75.1 mtt180 -71.55 129.1 37.9 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.02 -0.536 . . . . 12.9 109.575 177.515 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 620' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -67.64 112.36 4.72 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.476 0.655 . . . . 11.34 110.604 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 71.4 mtm180 . . . . . 0 C--O 1.248 0.977 0 CA-C-O 118.596 -0.716 . . . . 11.46 109.857 -179.76 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.802 0 N-CA-C 111.334 -0.706 . . . . 6.72 111.334 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . -161.25 165.76 28.76 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 110.186 -0.301 . . . . 5.43 110.186 -177.478 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 53.5 ttp -71.49 -9.47 58.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.271 0.558 . . . . 6.23 110.163 179.176 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -71.87 94.9 1.47 Allowed 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 115.646 -0.706 . . . . 2.28 110.327 175.093 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 514' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -72.8 -8.57 56.11 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.188 -0.46 . . . . 5.14 110.576 177.178 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 7.3 mtp180 71.76 -38.09 0.41 Allowed 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 123.584 0.754 . . . . 6.6 111.652 177.087 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 53.4 mtpt -69.36 68.09 0.21 Allowed 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.35 -0.611 . . . . 5.25 109.35 167.63 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 517' ' ' GLY . . . . . 0.417 ' C ' ' H ' ' A' ' 519' ' ' GLY . . . -74.48 56.9 2.48 Favored Glycine 0 N--CA 1.445 -0.713 0 C-N-CA 121.207 -0.52 . . . . 3.29 111.965 -178.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 518' ' ' ALA . . . . . 0.463 ' HA ' ' N ' ' A' ' 566' ' ' THR . . . 68.82 -13.83 0.31 Allowed 'General case' 0 C--O 1.234 0.254 0 C-N-CA 123.559 0.743 . . . . 2.38 112.302 177.396 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 519' ' ' GLY . . . . . 0.417 ' H ' ' C ' ' A' ' 517' ' ' GLY . . . 75.41 7.61 82.86 Favored Glycine 0 N--CA 1.437 -1.236 0 N-CA-C 109.264 -1.535 . . . . 1.58 109.264 -169.088 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -151.83 138.32 18.62 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 114.582 -0.809 . . . . 2.39 109.53 -178.502 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 71.6 t -106.81 138.58 31.86 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.056 0 N-CA-C 108.44 -0.948 . . . . 0.44 108.44 173.474 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 522' ' ' VAL . . . . . . . . . . . . . 68.0 t -98.73 127.36 51.39 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.024 0 N-CA-C 109.865 -0.42 . . . . 0.25 109.865 -176.649 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 523' ' ' HIS . . . . . 0.467 ' HA ' ' O ' ' A' ' 559' ' ' ALA . 2.5 p-80 -106.37 138.29 42.82 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.23 0.538 . . . . 1.75 110.375 -179.701 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 524' ' ' ILE . . . . . 0.616 HD12 HG13 ' A' ' 537' ' ' VAL . 79.3 mt -112.1 137.7 43.82 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-N 115.351 -0.84 . . . . 0.28 110.056 -179.6 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 63.5 m -124.46 172.03 9.49 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.875 -0.602 . . . . 1.28 110.872 -174.361 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 63.9 37.7 9.37 Favored 'General case' 0 N--CA 1.467 0.38 0 O-C-N 123.72 0.637 . . . . 1.22 110.753 179.083 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 527' ' ' LEU . . . . . 0.414 HD21 HD13 ' A' ' 588' ' ' LEU . 80.4 mt -90.14 122.27 67.79 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 115.962 -0.563 . . . . 0.6 110.751 -177.223 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 528' ' ' PRO . . . . . 0.47 ' HD2' ' SG ' ' A' ' 532' ' ' CYS . 32.8 Cg_endo -68.45 129.18 18.52 Favored 'Trans proline' 0 C--O 1.237 0.469 0 C-N-CA 121.622 1.548 . . . . 0.62 111.793 174.293 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -68.7 126.65 30.4 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.681 -0.69 . . . . 2.98 110.43 178.045 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 88.54 -17.79 46.71 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.709 -0.758 . . . . 0.94 113.526 174.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 7.6 t -99.03 -37.44 9.36 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 117.454 0.627 . . . . 1.17 110.888 -177.309 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 532' ' ' CYS . . . . . 0.47 ' SG ' ' HD2' ' A' ' 528' ' ' PRO . 76.5 m -87.9 135.58 33.34 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 110.093 -0.336 . . . . 0.77 110.093 173.71 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 69.3 p -105.83 170.42 7.91 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.889 -0.325 . . . . 0.54 110.133 178.557 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -52.64 -44.21 65.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.316 0.579 . . . . 1.32 109.73 175.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -59.8 -43.49 94.42 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 114.965 -1.016 . . . . 1.95 112.065 -175.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 536' ' ' ASP . . . . . 0.711 ' O ' ' HG ' ' A' ' 540' ' ' LEU . 27.8 m-20 -62.27 -46.54 88.32 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 120.68 -0.408 . . . . 0.52 110.45 -177.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 537' ' ' VAL . . . . . 0.616 HG13 HD12 ' A' ' 524' ' ' ILE . 52.3 t -61.64 -45.61 98.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.764 -0.653 . . . . 0.25 110.285 -177.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 95.8 mt -67.07 -41.39 87.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.77 -0.65 . . . . 0.24 111.02 178.572 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 539' ' ' ASN . . . . . 0.622 ' O ' ' HD3' ' A' ' 543' ' ' PRO . 85.9 m-20 -63.94 -28.35 69.77 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-N 116.197 -0.456 . . . . 1.07 111.816 -178.527 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 540' ' ' LEU . . . . . 0.711 ' HG ' ' O ' ' A' ' 536' ' ' ASP . 51.7 mt -68.26 -36.95 80.23 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.132 0.419 . . . . 0.36 112.132 -177.472 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -75.46 -38.64 37.73 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.144 -1.027 . . . . 0.22 112.323 -179.052 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 542' ' ' LEU . . . . . . . . . . . . . 98.0 mt -49.69 -42.59 68.82 Favored Pre-proline 0 CA--C 1.552 1.028 0 N-CA-C 115.284 1.587 . . . . 0.25 115.284 -173.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 543' ' ' PRO . . . . . 0.622 ' HD3' ' O ' ' A' ' 539' ' ' ASN . 90.0 Cg_exo -52.4 -34.53 61.51 Favored 'Trans proline' 0 C--N 1.356 0.957 0 C-N-CA 121.892 1.728 . . . . 0.19 115.457 -173.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 544' ' ' PHE . . . . . 0.511 ' HB2' ' CB ' ' A' ' 572' ' ' MET . 82.4 m-85 -110.84 -17.63 13.29 Favored 'General case' 0 N--CA 1.466 0.351 0 O-C-N 121.569 -0.707 . . . . 0.35 112.799 177.264 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 545' ' ' GLY . . . . . 0.4 ' HA3' ' CE ' ' A' ' 572' ' ' MET . . . -131.41 -147.75 6.06 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.936 -0.649 . . . . 1.14 113.103 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 546' ' ' LYS . . . . . 0.646 ' O ' ' HA ' ' A' ' 563' ' ' MET . 59.9 tttp -148.77 143.84 26.63 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.649 -0.5 . . . . 1.56 109.649 174.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 547' ' ' VAL . . . . . 0.477 ' HA ' ' O ' ' A' ' 562' ' ' GLU . 97.0 t -100.35 130.2 49.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.039 0.447 . . . . 0.25 110.859 -177.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 26.6 p -103.36 -39.54 6.75 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.67 -0.696 . . . . 0.37 111.335 175.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 64.6 m-80 -148.96 166.23 29.24 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.896 -0.593 . . . . 1.43 109.864 -179.139 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 10.9 p90 -148.05 150.35 33.78 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.594 -0.276 . . . . 0.47 110.408 176.691 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 551' ' ' ILE . . . . . 0.473 HD12 HD22 ' A' ' 599' ' ' LEU . 14.2 mt -134.26 123.31 43.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 N-CA-C 109.008 -0.738 . . . . 0.37 109.008 173.463 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 552' ' ' LEU . . . . . . . . . . . . . 75.3 mt -111.78 113.6 26.06 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 116.316 -0.402 . . . . 0.45 111.549 -176.399 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 55.6 mtt -107.67 85.75 2.18 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.023 -0.732 . . . . 1.18 109.023 174.547 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp -67.97 -30.34 69.6 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.704 -0.68 . . . . 1.45 111.03 -176.258 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 67.1 p -63.25 -36.04 82.33 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.054 -0.521 . . . . 1.11 111.544 -178.655 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 556' ' ' THR . . . . . 0.4 ' O ' ' HG2' ' A' ' 558' ' ' GLN . 73.6 p -98.62 10.28 41.39 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.723 0.297 . . . . 0.88 111.363 -178.445 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 57.72 42.55 23.47 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.632 -0.713 . . . . 2.35 110.724 -179.675 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 558' ' ' GLN . . . . . 0.4 ' HG2' ' O ' ' A' ' 556' ' ' THR . 12.1 mm100 -135.88 148.7 48.72 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.189 0.519 . . . . 2.07 111.288 -174.661 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 559' ' ' ALA . . . . . 0.467 ' O ' ' HA ' ' A' ' 523' ' ' HIS . . . -132.87 143.83 49.78 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.786 -0.643 . . . . 0.27 109.897 175.427 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 560' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 -124.74 126.48 45.74 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 109.557 -0.534 . . . . 0.33 109.557 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 561' ' ' LEU . . . . . 0.406 HD12 ' HA ' ' A' ' 561' ' ' LEU . 14.4 tp -125.47 130.18 51.28 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.306 -0.406 . . . . 0.22 109.986 -176.452 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 562' ' ' GLU . . . . . 0.548 ' HB2' HD12 ' A' ' 599' ' ' LEU . 37.6 tt0 -100.08 138.14 37.56 Favored 'General case' 0 CA--C 1.515 -0.386 0 CA-C-N 116.416 -0.357 . . . . 1.85 110.42 -176.399 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 563' ' ' MET . . . . . 0.646 ' HA ' ' O ' ' A' ' 546' ' ' LYS . 16.4 mmt -112.55 135.67 52.99 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.063 -0.517 . . . . 0.96 110.805 -175.286 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -60.81 -24.01 65.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.466 -0.788 . . . . 0.36 112.84 -173.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -137.02 147.84 46.47 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.594 -0.275 . . . . 1.27 110.399 -177.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 566' ' ' THR . . . . . 0.463 ' N ' ' HA ' ' A' ' 518' ' ' ALA . 15.2 t -58.88 -37.91 77.62 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.343 0.592 . . . . 0.52 110.316 177.542 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -67.21 -34.38 77.36 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.35 -0.841 . . . . 1.91 110.745 175.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 568' ' ' ALA . . . . . . . . . . . . . . . -61.94 -46.73 88.03 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.961 0.41 . . . . 0.28 109.952 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . 0.467 ' HA ' ' HG3' ' A' ' 563' ' ' MET . . . -68.55 -46.63 68.98 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.712 -0.677 . . . . 0.19 111.613 -179.605 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 570' ' ' GLN . . . . . 0.449 ' O ' ' HG2' ' A' ' 574' ' ' GLN . 48.3 mt-30 -68.8 -45.97 69.88 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.466 -0.334 . . . . 1.21 111.354 -175.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -62.14 -43.33 99.08 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 120.705 0.288 . . . . 0.31 111.38 -176.363 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 572' ' ' MET . . . . . 0.511 ' CB ' ' HB2' ' A' ' 544' ' ' PHE . 19.0 ptp -68.25 -47.21 68.36 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.608 -0.437 . . . . 0.62 110.628 -177.571 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 573' ' ' VAL . . . . . 0.542 HG11 ' HG2' ' A' ' 592' ' ' MET . 91.2 t -67.39 -36.54 76.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.543 0 CA-C-N 116.326 -0.397 . . . . 0.21 111.773 -176.127 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 574' ' ' GLN . . . . . 0.449 ' HG2' ' O ' ' A' ' 570' ' ' GLN . 27.2 mm-40 -58.85 -37.91 77.54 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.577 -0.527 . . . . 1.9 109.577 176.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 66.6 t80 -69.54 -49.66 52.29 Favored 'General case' 0 C--O 1.219 -0.531 0 CA-C-N 115.895 -0.593 . . . . 0.52 111.01 173.073 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 576' ' ' TYR . . . . . 0.44 ' CE1' ' HB2' ' A' ' 572' ' ' MET . 22.2 m-85 -72.82 -16.47 61.61 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 112.935 0.717 . . . . 0.34 112.935 -172.422 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -79.27 -27.53 42.31 Favored 'General case' 0 C--N 1.314 -0.952 0 C-N-CA 120.284 -0.566 . . . . 1.84 110.607 173.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -96.49 -39.21 9.67 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.047 0.451 . . . . 2.07 110.855 178.624 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 42.5 mtpt -130.07 82.83 65.17 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 115.772 -0.649 . . . . 2.07 109.565 173.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_exo -68.04 161.75 42.94 Favored 'Trans proline' 0 C--O 1.234 0.278 0 C-N-CA 123.667 2.912 . . . . 0.19 112.224 -176.491 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -90.49 141.34 28.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.002 0.43 . . . . 0.2 110.254 -173.175 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 582' ' ' ILE . . . . . 0.449 HG12 ' HG2' ' A' ' 587' ' ' LYS . 44.6 mt -115.29 123.56 70.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.878 -0.601 . . . . 0.54 111.742 -169.099 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 583' ' ' ILE . . . . . 0.439 HD11 HD11 ' A' ' 540' ' ' LEU . 3.3 mp -121.06 124.25 71.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.946 -0.57 . . . . 0.73 109.982 174.48 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 11.8 m120 60.19 33.9 21.07 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 121.126 0.488 . . . . 1.46 110.861 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 76.86 7.23 86.24 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.779 -0.724 . . . . 0.67 112.141 -179.152 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 586' ' ' GLU . . . . . 0.409 ' O ' ' HA ' ' A' ' 582' ' ' ILE . 45.2 mt-10 -103.24 126.52 50.45 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.776 0.322 . . . . 1.93 110.315 179.749 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 587' ' ' LYS . . . . . 0.449 ' HG2' HG12 ' A' ' 582' ' ' ILE . 98.3 mttt -82.8 115.16 21.58 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.382 -0.372 . . . . 2.12 110.315 179.272 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 588' ' ' LEU . . . . . 0.414 HD13 HD21 ' A' ' 527' ' ' LEU . 41.8 mt -90.13 123.01 33.61 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 109.408 -0.59 . . . . 0.28 109.408 174.31 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 45.9 tp -82.6 108.92 16.34 Favored 'General case' 0 C--N 1.311 -1.079 0 N-CA-C 108.633 -0.877 . . . . 0.38 108.633 174.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 590' ' ' ILE . . . . . . . . . . . . . 47.1 mt -94.44 115.32 32.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 N-CA-C 108.119 -1.067 . . . . 0.17 108.119 177.25 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 591' ' ' ARG . . . . . 0.451 ' HA ' HG13 ' A' ' 573' ' ' VAL . 30.6 ptt180 -140.8 153.72 45.93 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.587 0.588 . . . . 3.0 112.587 -170.494 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 592' ' ' MET . . . . . 0.542 ' HG2' HG11 ' A' ' 573' ' ' VAL . 0.8 OUTLIER -73.16 126.84 30.97 Favored 'General case' 0 CA--C 1.528 0.13 0 CA-C-N 115.226 -0.897 . . . . 0.33 110.156 -172.522 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 6.6 t -89.34 131.56 35.36 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.783 0.325 . . . . 1.04 110.501 178.06 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 17.7 p -94.74 -10.64 30.97 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.254 0.549 . . . . 1.6 110.518 176.244 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -82.13 -19.96 38.98 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.514 -0.766 . . . . 2.94 111.689 -176.256 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -125.75 132.26 52.36 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.093 0.473 . . . . 0.93 110.985 -178.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 51.9 tptt -92.42 -39.43 11.44 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.23 -0.895 . . . . 3.4 110.281 178.089 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -156.76 145.27 19.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.232 -0.894 . . . . 2.02 110.162 -175.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 599' ' ' LEU . . . . . 0.548 HD12 ' HB2' ' A' ' 562' ' ' GLU . 96.7 mt -93.2 105.89 17.92 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.118 0.485 . . . . 1.02 110.499 176.638 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -101.91 85.74 2.76 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.976 -0.556 . . . . 2.87 110.678 -179.69 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 76.2 mt -65.23 147.02 54.19 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.542 -0.754 . . . . 1.47 110.042 177.139 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -77.68 75.89 4.22 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.391 0.615 . . . . 5.4 110.081 178.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 3.9 mmtp -101.05 118.8 59.64 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 115.132 -0.94 . . . . 5.81 109.998 -179.115 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 604' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.86 -39.15 85.5 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 123.487 2.791 . . . . 6.24 113.266 -178.59 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 605' ' ' GLY . . . . . . . . . . . . . . . 156.24 137.89 2.43 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.281 -0.961 . . . . 6.9 112.914 178.402 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -134.89 143.07 46.76 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.729 0.3 . . . . 8.87 110.337 178.614 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -122.41 -31.67 3.75 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.282 -0.417 . . . . 9.21 110.734 177.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 48.5 t 57.29 -94.2 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 CA-C-N 115.231 -0.895 . . . . 9.63 112.279 176.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -131.04 -55.14 1.05 Allowed 'General case' 0 N--CA 1.45 -0.426 0 CA-C-O 120.597 0.237 . . . . 9.47 111.573 -174.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -130.28 126.27 36.83 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.802 0.334 . . . . 9.11 110.617 -177.312 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 46.5 mm -77.85 70.2 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 121.638 0.733 . . . . 8.31 110.045 -178.289 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 612' ' ' ILE . . . . . . . . . . . . . 57.1 mt -110.23 97.43 5.72 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.631 0 CA-C-N 115.431 -0.804 . . . . 8.86 109.478 177.638 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 -137.88 74.8 1.49 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.149 0.499 . . . . 10.28 109.972 178.21 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -162.56 -47.07 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.574 -0.739 . . . . 10.41 110.573 -179.149 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 615' ' ' ILE . . . . . . . . . . . . . 54.6 mt -66.66 -49.91 70.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.816 -0.629 . . . . 8.61 110.359 -179.242 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 26.6 m-70 51.76 49.01 21.71 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.332 0.586 . . . . 6.75 111.202 177.383 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 32.2 t -139.79 -45.48 0.44 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.718 -0.674 . . . . 6.99 109.293 178.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 618' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -82.57 179.51 7.77 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.538 -0.755 . . . . 9.26 109.895 174.115 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 43.6 mtp180 -80.56 78.08 7.32 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.021 -0.536 . . . . 12.9 110.631 179.267 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 620' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -65.49 147.48 53.35 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.189 -0.459 . . . . 11.34 109.856 179.121 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 9.0 ptp180 . . . . . 0 C--O 1.247 0.966 0 CA-C-O 117.89 -1.053 . . . . 11.46 111.868 -174.338 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.849 0 N-CA-C 112.472 -0.251 . . . . 6.72 112.472 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . -99.97 -47.74 4.91 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.778 0.323 . . . . 5.43 110.993 179.456 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 26.7 ptm -77.72 -17.12 57.94 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-O 121.032 0.444 . . . . 6.23 110.914 -178.513 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -168.96 -163.51 0.43 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.92 -0.582 . . . . 2.28 110.028 -177.247 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 514' ' ' GLN . . . . . . . . . . . . . 4.1 mm100 72.92 -52.78 0.71 Allowed 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.038 0.935 . . . . 5.14 111.612 178.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 29.5 mmt85 69.8 -70.35 0.15 Allowed 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 123.549 0.74 . . . . 6.6 111.417 178.349 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -79.89 -38.39 32.71 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.011 0.434 . . . . 5.25 110.931 178.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . 96.95 -19.0 56.55 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.602 -0.809 . . . . 3.29 111.475 -175.374 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 518' ' ' ALA . . . . . 0.462 ' O ' ' HB ' ' A' ' 566' ' ' THR . . . -91.48 -9.25 45.15 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.098 0.475 . . . . 2.38 110.121 175.457 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -51.07 149.42 7.27 Favored Glycine 0 C--N 1.33 0.211 0 CA-C-N 115.058 -0.974 . . . . 1.58 112.925 -178.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -127.74 154.9 44.81 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 110.239 -0.282 . . . . 2.39 110.239 -177.196 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 93.0 t -93.23 134.34 31.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 121.18 0.514 . . . . 0.44 109.914 179.247 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 522' ' ' VAL . . . . . . . . . . . . . 67.6 t -105.56 133.95 48.44 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.952 0 CA-C-N 115.461 -0.791 . . . . 0.25 109.366 176.297 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 523' ' ' HIS . . . . . 0.476 ' HA ' ' O ' ' A' ' 559' ' ' ALA . 1.0 OUTLIER -107.52 132.88 52.77 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.735 -0.469 . . . . 1.75 109.735 -179.55 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 524' ' ' ILE . . . . . 0.538 HD12 HG13 ' A' ' 537' ' ' VAL . 77.4 mt -110.28 131.46 61.28 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.857 0 CA-C-N 115.69 -0.686 . . . . 0.28 110.427 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 15.0 p -122.37 176.34 5.93 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.707 -0.679 . . . . 1.28 110.474 -178.188 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 19.5 m120 69.06 26.33 5.63 Favored 'General case' 0 N--CA 1.468 0.454 0 O-C-N 123.76 0.663 . . . . 1.22 110.621 -178.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 527' ' ' LEU . . . . . 0.415 ' HA ' ' HD2' ' A' ' 528' ' ' PRO . 79.3 mt -81.36 121.16 79.88 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 115.909 -0.587 . . . . 0.6 111.056 -175.815 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 528' ' ' PRO . . . . . 0.523 ' HD2' ' SG ' ' A' ' 532' ' ' CYS . 36.2 Cg_endo -68.12 131.88 24.75 Favored 'Trans proline' 0 C--O 1.237 0.461 0 C-N-CA 122.287 1.992 . . . . 0.62 111.62 175.595 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -68.4 124.37 23.35 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.895 -0.593 . . . . 2.98 110.93 -177.208 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 84.03 -15.0 40.68 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 121.004 -0.617 . . . . 0.94 113.685 176.03 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 531' ' ' SER . . . . . 0.511 ' HB3' ' OD1' ' A' ' 584' ' ' ASN . 13.1 m -91.2 -35.76 14.33 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 117.324 0.562 . . . . 1.17 111.363 -176.516 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 532' ' ' CYS . . . . . 0.523 ' SG ' ' HD2' ' A' ' 528' ' ' PRO . 86.0 m -86.54 134.32 33.67 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.518 -0.31 . . . . 0.77 110.472 176.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 53.4 p -103.62 167.4 9.82 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.538 -0.542 . . . . 0.54 109.538 177.361 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -54.13 -46.34 72.18 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.229 0.537 . . . . 1.32 110.308 -178.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -61.14 -42.98 99.52 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.015 -0.993 . . . . 1.95 111.485 -176.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 536' ' ' ASP . . . . . 0.421 ' HB3' HD13 ' A' ' 583' ' ' ILE . 66.4 m-20 -59.79 -47.4 85.83 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 120.919 0.39 . . . . 0.52 111.59 -175.361 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 537' ' ' VAL . . . . . 0.538 HG13 HD12 ' A' ' 524' ' ' ILE . 51.6 t -62.61 -40.33 87.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.805 -0.634 . . . . 0.25 110.301 -177.715 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 538' ' ' ILE . . . . . 0.401 ' O ' ' HG ' ' A' ' 542' ' ' LEU . 85.8 mt -66.87 -42.29 88.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.632 -0.713 . . . . 0.24 110.343 177.075 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 539' ' ' ASN . . . . . 0.687 ' O ' ' HD3' ' A' ' 543' ' ' PRO . 11.1 m120 -61.21 -29.21 69.68 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 115.614 -0.721 . . . . 1.07 111.787 -178.798 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 540' ' ' LEU . . . . . 0.483 ' CD1' HD12 ' A' ' 588' ' ' LEU . 27.7 mt -69.0 -36.03 77.36 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.281 0.474 . . . . 0.36 112.281 -176.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -79.4 -33.9 33.88 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.156 -1.021 . . . . 0.22 111.971 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 542' ' ' LEU . . . . . 0.401 ' HG ' ' O ' ' A' ' 538' ' ' ILE . 84.1 mt -53.85 -36.22 38.01 Favored Pre-proline 0 CA--C 1.55 0.963 0 N-CA-C 115.702 1.742 . . . . 0.25 115.702 -174.603 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 543' ' ' PRO . . . . . 0.687 ' HD3' ' O ' ' A' ' 539' ' ' ASN . 89.2 Cg_exo -55.87 -34.1 90.57 Favored 'Trans proline' 0 C--N 1.354 0.849 0 CA-C-N 121.498 1.571 . . . . 0.19 114.587 -176.57 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 544' ' ' PHE . . . . . 0.417 ' HB2' ' CB ' ' A' ' 572' ' ' MET . 70.6 m-85 -111.72 -18.35 12.77 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 113.21 0.819 . . . . 0.35 113.21 177.127 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 545' ' ' GLY . . . . . 0.565 ' CA ' ' HB1' ' A' ' 568' ' ' ALA . . . -134.04 -164.8 10.78 Favored Glycine 0 C--O 1.225 -0.418 0 C-N-CA 120.581 -0.819 . . . . 1.14 113.391 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 546' ' ' LYS . . . . . 0.576 ' O ' ' HA ' ' A' ' 563' ' ' MET . 23.9 tptm -136.7 143.11 43.21 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 110.209 -0.293 . . . . 1.56 110.209 179.286 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 547' ' ' VAL . . . . . 0.515 ' HA ' ' O ' ' A' ' 562' ' ' GLU . 89.7 t -104.91 136.06 40.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 123.4 0.438 . . . . 0.25 111.44 -174.378 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 58.0 p -101.96 -35.26 9.04 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 121.148 0.499 . . . . 0.37 110.841 176.375 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 549' ' ' ASN . . . . . 0.496 ' HB3' ' NZ ' ' A' ' 606' ' ' LYS . 0.0 OUTLIER -165.25 168.1 17.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.815 -0.63 . . . . 1.43 109.887 175.751 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 550' ' ' TYR . . . . . 0.423 ' O ' HD21 ' A' ' 601' ' ' LEU . 22.3 p90 -141.17 151.1 43.57 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.842 0.354 . . . . 0.47 110.82 -175.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 551' ' ' ILE . . . . . 0.445 HD12 HD22 ' A' ' 599' ' ' LEU . 32.9 mt -128.11 120.93 54.76 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 N-CA-C 108.675 -0.861 . . . . 0.37 108.675 171.452 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 552' ' ' LEU . . . . . . . . . . . . . 71.1 mt -111.56 110.77 21.35 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 116.029 -0.532 . . . . 0.45 111.517 -177.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 62.8 mtt -108.16 85.36 2.1 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.512 0.673 . . . . 1.18 109.715 174.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -67.68 -29.99 69.41 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.289 -0.869 . . . . 1.45 110.297 -178.335 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 67.2 p -63.68 -30.95 71.99 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.545 -0.752 . . . . 1.11 111.417 -179.455 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 71.9 p -101.78 8.67 41.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.783 0.325 . . . . 0.88 111.118 178.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 56.66 42.13 27.39 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.422 -0.808 . . . . 2.35 111.104 179.702 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -142.46 149.2 38.92 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.999 0.428 . . . . 2.07 110.591 -176.353 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 559' ' ' ALA . . . . . 0.476 ' O ' ' HA ' ' A' ' 523' ' ' HIS . . . -130.82 143.85 51.03 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.132 -0.486 . . . . 0.27 110.318 177.527 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 560' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 -124.59 126.15 45.32 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.994 0.426 . . . . 0.33 109.851 177.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 15.5 tp -123.98 127.21 47.59 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.994 -0.548 . . . . 0.22 109.884 -176.306 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 562' ' ' GLU . . . . . 0.515 ' O ' ' HA ' ' A' ' 547' ' ' VAL . 9.8 tp10 -99.78 138.32 37.03 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-O 120.654 0.264 . . . . 1.85 110.964 -174.193 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 563' ' ' MET . . . . . 0.576 ' HA ' ' O ' ' A' ' 546' ' ' LYS . 19.4 mmt -111.61 139.23 47.23 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.417 0.627 . . . . 0.96 111.535 -173.388 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -68.54 -22.34 64.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.087 -0.961 . . . . 0.36 111.44 -178.315 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -132.55 143.38 49.68 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.829 -0.804 . . . . 1.27 108.829 -179.062 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 566' ' ' THR . . . . . 0.531 ' O ' ' HG3' ' A' ' 570' ' ' GLN . 14.0 t -67.27 -37.98 84.34 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.941 -0.392 . . . . 0.52 109.941 178.497 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -66.51 -32.84 74.45 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-N 115.848 -0.615 . . . . 1.91 110.332 177.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 568' ' ' ALA . . . . . 0.565 ' HB1' ' CA ' ' A' ' 545' ' ' GLY . . . -62.21 -44.57 96.28 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.991 -0.549 . . . . 0.28 109.665 177.288 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -68.41 -46.28 70.39 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.654 -0.703 . . . . 0.19 111.546 178.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 570' ' ' GLN . . . . . 0.531 ' HG3' ' O ' ' A' ' 566' ' ' THR . 73.3 mt-30 -67.51 -46.88 71.59 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.51 -0.314 . . . . 1.21 111.258 -176.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -66.28 -39.08 89.16 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 116.424 -0.353 . . . . 0.31 111.43 -175.232 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 572' ' ' MET . . . . . 0.494 ' HG3' ' N ' ' A' ' 573' ' ' VAL . 14.7 ptp -67.59 -45.92 74.1 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 109.902 -0.407 . . . . 0.62 109.902 -179.553 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 573' ' ' VAL . . . . . 0.72 HG13 ' HA ' ' A' ' 591' ' ' ARG . 55.0 t -67.08 -37.5 79.41 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.559 0 CA-C-N 116.188 -0.46 . . . . 0.21 111.549 -177.02 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -59.29 -37.42 77.66 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.608 -0.515 . . . . 1.9 109.608 175.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 575' ' ' TYR . . . . . 0.411 ' HD2' ' CD2' ' A' ' 576' ' ' TYR . 72.6 t80 -69.1 -48.81 61.59 Favored 'General case' 0 C--O 1.216 -0.693 0 CA-C-N 115.906 -0.588 . . . . 0.52 111.276 173.779 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 576' ' ' TYR . . . . . 0.51 ' CB ' ' HB ' ' A' ' 590' ' ' ILE . 19.4 m-85 -75.93 -25.49 56.02 Favored 'General case' 0 C--O 1.222 -0.39 0 N-CA-C 112.873 0.694 . . . . 0.34 112.873 -171.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 2.4 mm100 -70.92 -26.4 63.19 Favored 'General case' 0 C--N 1.318 -0.763 0 O-C-N 121.952 -0.468 . . . . 1.84 110.361 174.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -97.41 -39.89 8.96 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.949 -0.569 . . . . 2.07 111.326 178.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -131.86 83.93 55.62 Favored Pre-proline 0 C--N 1.327 -0.41 0 N-CA-C 109.617 -0.512 . . . . 2.07 109.617 176.361 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_exo -73.24 159.74 46.51 Favored 'Trans proline' 0 CA--C 1.533 0.475 0 C-N-CA 123.5 2.8 . . . . 0.19 113.259 -173.036 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -93.68 153.86 18.13 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 115.883 -0.599 . . . . 0.2 111.35 -172.262 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 582' ' ' ILE . . . . . 0.45 HG12 ' HG2' ' A' ' 587' ' ' LYS . 64.0 mt -115.55 128.01 72.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 111.943 0.349 . . . . 0.54 111.943 -174.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 583' ' ' ILE . . . . . 0.421 HD13 ' HB3' ' A' ' 536' ' ' ASP . 48.2 mt -123.22 121.4 62.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.185 -0.461 . . . . 0.73 110.36 171.456 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 584' ' ' ASN . . . . . 0.511 ' OD1' ' HB3' ' A' ' 531' ' ' SER . 0.8 OUTLIER 59.38 34.51 22.8 Favored 'General case' 0 N--CA 1.469 0.52 0 O-C-N 123.433 0.458 . . . . 1.46 111.501 176.556 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 85.95 -0.23 87.63 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.915 -0.659 . . . . 0.67 113.156 178.192 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 36.6 mm-40 -102.2 127.28 49.21 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 110.002 -0.37 . . . . 1.93 110.002 179.513 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 587' ' ' LYS . . . . . 0.45 ' HG2' HG12 ' A' ' 582' ' ' ILE . 27.6 mtpp -85.02 107.47 17.15 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.251 -0.648 . . . . 2.12 109.251 177.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 588' ' ' LEU . . . . . 0.483 HD12 ' CD1' ' A' ' 540' ' ' LEU . 47.9 mt -88.06 130.74 34.9 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.849 -0.614 . . . . 0.28 110.584 -175.765 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 49.8 tp -83.98 109.23 17.47 Favored 'General case' 0 N--CA 1.44 -0.957 0 N-CA-C 108.863 -0.792 . . . . 0.38 108.863 173.427 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 590' ' ' ILE . . . . . 0.51 ' HB ' ' CB ' ' A' ' 576' ' ' TYR . 43.1 mt -96.88 115.08 35.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 N-CA-C 108.343 -0.984 . . . . 0.17 108.343 178.336 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 591' ' ' ARG . . . . . 0.72 ' HA ' HG13 ' A' ' 573' ' ' VAL . 10.3 ptm180 -145.6 164.6 31.18 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.978 0.418 . . . . 3.0 111.972 -174.274 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 592' ' ' MET . . . . . 0.53 ' HG2' HG11 ' A' ' 573' ' ' VAL . 0.8 OUTLIER -62.46 143.12 57.48 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.739 -0.664 . . . . 0.33 110.161 -174.838 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 24.6 t -87.65 126.77 35.15 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.764 0.316 . . . . 1.04 110.421 179.499 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 12.5 p -94.63 -22.41 18.18 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.242 0.544 . . . . 1.6 110.246 176.388 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 25.8 mtp180 -79.25 -40.77 29.78 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.527 -0.76 . . . . 2.94 111.017 -178.134 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -116.35 131.53 56.92 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.925 0.393 . . . . 0.93 110.519 178.588 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 597' ' ' LYS . . . . . 0.421 ' N ' ' HD3' ' A' ' 597' ' ' LYS . 0.0 OUTLIER -93.2 -27.12 17.06 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.62 -0.718 . . . . 3.4 110.104 175.788 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 598' ' ' GLU . . . . . 0.487 ' HA ' ' OE2' ' A' ' 562' ' ' GLU . 8.0 pt-20 -154.25 145.04 22.49 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.605 -0.725 . . . . 2.02 109.943 -177.775 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 599' ' ' LEU . . . . . 0.445 HD22 HD12 ' A' ' 551' ' ' ILE . 64.1 mt -92.74 123.55 36.1 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.001 0.429 . . . . 1.02 110.994 178.428 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -114.86 82.37 1.72 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.14 -0.482 . . . . 2.87 110.338 179.488 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 601' ' ' LEU . . . . . 0.423 HD21 ' O ' ' A' ' 550' ' ' TYR . 27.7 mt -63.16 146.84 52.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.327 0.584 . . . . 1.47 111.867 179.713 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 602' ' ' LYS . . . . . 0.593 ' H ' ' HD2' ' A' ' 602' ' ' LYS . 0.0 OUTLIER -79.05 -2.45 40.48 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.265 -0.879 . . . . 5.4 110.821 176.934 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -78.29 119.87 78.98 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 116.081 -0.509 . . . . 5.81 110.505 178.452 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 604' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -80.42 -13.05 12.45 Favored 'Trans proline' 0 N--CA 1.464 -0.256 0 C-N-CA 122.612 2.208 . . . . 6.24 112.421 178.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 605' ' ' GLY . . . . . . . . . . . . . . . -107.61 89.07 0.56 Allowed Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.863 -0.684 . . . . 6.9 112.176 -178.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . 0.496 ' NZ ' ' HB3' ' A' ' 549' ' ' ASN . 12.1 mmmm -110.26 134.97 51.72 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.63 0.252 . . . . 8.87 110.461 177.011 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -141.44 -47.79 0.39 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.198 -0.455 . . . . 9.21 110.59 176.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 60.3 t 68.33 -78.18 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 CA-C-N 115.659 -0.7 . . . . 9.63 110.583 -178.367 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -142.01 -57.79 0.46 Allowed 'General case' 0 N--CA 1.443 -0.793 0 N-CA-C 109.272 -0.64 . . . . 9.47 109.272 174.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 610' ' ' ALA . . . . . 0.532 ' HB3' ' HB2' ' A' ' 620' ' ' GLU . . . -158.57 109.71 2.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.805 -0.634 . . . . 9.11 110.639 175.113 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 55.3 mt -78.91 83.06 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.443 0.64 . . . . 8.31 109.721 177.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 612' ' ' ILE . . . . . 0.471 HG22 ' H ' ' A' ' 615' ' ' ILE . 40.1 mt -76.75 101.78 3.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 115.364 -0.834 . . . . 8.86 109.827 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -86.39 -28.21 23.73 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.387 -0.37 . . . . 10.28 110.933 -176.453 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 43.8 m-20 -66.18 -51.64 55.81 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.119 0.485 . . . . 10.41 110.134 179.664 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 615' ' ' ILE . . . . . 0.471 ' H ' HG22 ' A' ' 612' ' ' ILE . 68.7 mt -116.51 106.5 20.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.684 -0.689 . . . . 8.61 109.779 176.484 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -77.67 64.25 2.92 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.19 0.519 . . . . 6.75 110.382 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 617' ' ' SER . . . . . 0.401 ' O ' ' HB2' ' A' ' 618' ' ' GLN . 11.0 t -173.62 -154.3 0.07 Allowed 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.389 -0.967 . . . . 6.99 108.389 -179.33 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 618' ' ' GLN . . . . . 0.401 ' HB2' ' O ' ' A' ' 617' ' ' SER . 42.8 mt-30 70.01 161.53 0.22 Allowed 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.563 0.697 . . . . 9.26 111.544 -179.8 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 82.2 mtp180 -84.01 100.93 11.38 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.545 -0.752 . . . . 12.9 109.009 173.5 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 620' ' ' GLU . . . . . 0.532 ' HB2' ' HB3' ' A' ' 610' ' ' ALA . 13.4 pt-20 -59.62 138.78 57.62 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.014 -0.539 . . . . 11.34 110.406 -178.769 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 74.9 mtp180 . . . . . 0 C--O 1.245 0.862 0 CA-C-O 118.603 -0.713 . . . . 11.46 111.183 -173.306 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.795 0 N-CA-C 112.188 -0.365 . . . . 6.72 112.188 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . -93.85 93.49 7.97 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.747 0.308 . . . . 5.43 110.487 179.173 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 3.3 mpp? -55.12 -56.67 17.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.821 -0.627 . . . . 6.23 109.915 179.264 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -96.75 179.13 5.08 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 115.644 -0.707 . . . . 2.28 109.713 176.577 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 514' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 70.07 -50.18 0.64 Allowed 'General case' 0 N--CA 1.466 0.356 0 O-C-N 123.739 0.65 . . . . 5.14 111.111 -176.588 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 515' ' ' ARG . . . . . 0.418 ' NE ' ' HA ' ' A' ' 515' ' ' ARG . 2.1 mmp_? 72.57 -55.7 0.67 Allowed 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.801 0.84 . . . . 6.6 111.401 175.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 516' ' ' LYS . . . . . 0.409 ' HG3' ' CD2' ' A' ' 565' ' ' TYR . 2.9 mmmp? -113.82 174.32 5.99 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.977 -0.556 . . . . 5.25 110.043 -179.8 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -78.34 62.68 3.73 Favored Glycine 0 N--CA 1.449 -0.473 0 N-CA-C 111.666 -0.573 . . . . 3.29 111.666 179.079 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 518' ' ' ALA . . . . . 0.474 ' HB1' ' HB ' ' A' ' 566' ' ' THR . . . -151.09 -73.84 0.15 Allowed 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.879 -0.415 . . . . 2.38 109.879 -179.537 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 45.67 68.36 1.03 Allowed Glycine 0 C--N 1.338 0.678 0 O-C-N 123.852 0.72 . . . . 1.58 112.688 177.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -103.06 144.72 30.92 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.842 0.354 . . . . 2.39 110.853 -176.047 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 521' ' ' VAL . . . . . 0.463 HG22 ' HG ' ' A' ' 599' ' ' LEU . 97.7 t -96.2 134.57 33.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 115.818 -0.628 . . . . 0.44 111.844 -175.722 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 522' ' ' VAL . . . . . . . . . . . . . 85.0 t -106.15 135.65 43.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 115.008 -0.996 . . . . 0.25 109.699 173.639 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 14.0 t-160 -105.57 126.95 52.73 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.03 0.443 . . . . 1.75 110.088 -177.472 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 524' ' ' ILE . . . . . . . . . . . . . 69.3 mt -105.11 133.66 48.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.756 -0.656 . . . . 0.28 110.416 179.316 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 75.1 m -116.86 175.5 5.55 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.998 -0.546 . . . . 1.28 111.228 -177.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 12.8 m120 70.05 28.68 4.04 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 115.563 -0.744 . . . . 1.22 110.945 177.565 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 527' ' ' LEU . . . . . 0.442 HD21 HD13 ' A' ' 588' ' ' LEU . 81.2 mt -90.59 122.72 66.76 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 115.644 -0.707 . . . . 0.6 111.585 -176.495 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 528' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -68.9 136.18 34.61 Favored 'Trans proline' 0 C--O 1.235 0.362 0 C-N-CA 123.052 2.501 . . . . 0.62 112.391 175.704 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -63.54 124.95 22.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.365 -0.379 . . . . 2.98 111.257 -177.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 76.9 -18.25 4.07 Favored Glycine 0 CA--C 1.52 0.393 0 CA-C-N 116.207 -0.451 . . . . 0.94 114.107 174.244 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 30.5 t -88.2 -11.26 47.26 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 117.192 0.496 . . . . 1.17 110.494 -177.446 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 532' ' ' CYS . . . . . 0.412 ' SG ' ' HB3' ' A' ' 527' ' ' LEU . 60.8 m -85.25 137.16 33.17 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.997 -0.547 . . . . 0.77 110.483 179.083 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 35.0 p -105.96 159.49 16.0 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.59 -0.522 . . . . 0.54 109.59 177.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -63.91 -47.73 79.39 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.083 0.468 . . . . 1.32 110.249 177.467 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -64.82 -44.1 90.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.529 -0.759 . . . . 1.95 112.37 -171.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 536' ' ' ASP . . . . . 0.507 ' O ' ' HG ' ' A' ' 540' ' ' LEU . 24.8 m-20 -65.5 -45.62 82.86 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.662 -0.415 . . . . 0.52 111.25 -175.567 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 95.3 t -62.72 -41.79 93.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.276 -0.42 . . . . 0.25 110.892 -178.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 98.9 mt -66.94 -45.96 86.06 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 CA-C-N 116.363 -0.381 . . . . 0.24 110.869 178.526 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 539' ' ' ASN . . . . . 0.596 ' O ' ' HD3' ' A' ' 543' ' ' PRO . 24.3 m-80 -62.98 -26.34 68.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.059 -0.518 . . . . 1.07 112.267 179.192 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 540' ' ' LEU . . . . . 0.554 HD22 ' HB1' ' A' ' 581' ' ' ALA . 22.2 mt -66.78 -36.73 83.1 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 111.799 0.296 . . . . 0.36 111.799 176.714 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -77.58 -42.1 18.52 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.219 -0.991 . . . . 0.22 112.247 -179.398 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 542' ' ' LEU . . . . . 0.582 ' HA ' ' O ' ' A' ' 545' ' ' GLY . 60.4 mt -47.62 -40.65 30.87 Favored Pre-proline 0 CA--C 1.551 1.002 0 N-CA-C 115.815 1.783 . . . . 0.25 115.815 -173.234 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 543' ' ' PRO . . . . . 0.596 ' HD3' ' O ' ' A' ' 539' ' ' ASN . 67.6 Cg_exo -50.21 -35.65 43.79 Favored 'Trans proline' 0 C--N 1.359 1.13 0 C-N-CA 122.035 1.823 . . . . 0.19 115.611 -173.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -112.13 -19.39 12.3 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.0 -0.68 . . . . 0.35 112.684 177.484 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 545' ' ' GLY . . . . . 0.607 ' HA2' ' HB1' ' A' ' 568' ' ' ALA . . . -144.87 136.41 6.6 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.447 -0.882 . . . . 1.14 113.369 177.316 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 546' ' ' LYS . . . . . 0.442 ' O ' ' HA ' ' A' ' 563' ' ' MET . 43.5 tttp -72.16 141.99 49.08 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.896 0.379 . . . . 1.56 111.033 -179.001 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 547' ' ' VAL . . . . . 0.401 ' HA ' ' O ' ' A' ' 562' ' ' GLU . 95.5 t -100.71 136.3 32.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.646 -0.707 . . . . 0.25 110.477 -178.6 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 39.6 p -107.06 -38.5 6.0 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.664 -0.698 . . . . 0.37 111.382 179.4 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -155.16 167.06 31.61 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.061 -0.518 . . . . 1.43 110.266 -178.022 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 54.1 p90 -144.97 151.05 38.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.999 0.428 . . . . 0.47 111.711 179.526 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 551' ' ' ILE . . . . . 0.442 HG12 HD21 ' A' ' 601' ' ' LEU . 46.2 mt -127.34 120.72 55.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 108.072 -1.084 . . . . 0.37 108.072 167.269 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 552' ' ' LEU . . . . . . . . . . . . . 83.3 mt -113.98 111.22 21.32 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 116.483 -0.326 . . . . 0.45 111.338 -176.555 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 64.9 mtt -108.01 82.59 1.66 Allowed 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.768 -0.827 . . . . 1.18 108.768 173.558 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -70.01 -32.87 71.27 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.396 -0.82 . . . . 1.45 111.207 -174.734 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 65.5 p -68.8 -27.31 65.75 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.005 -0.543 . . . . 1.11 111.766 -178.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 556' ' ' THR . . . . . 0.449 ' O ' ' HG3' ' A' ' 558' ' ' GLN . 78.1 p -103.96 12.45 34.23 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.735 0.302 . . . . 0.88 111.049 -178.681 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 16.5 m120 58.68 42.72 19.9 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 115.688 -0.687 . . . . 2.35 111.928 179.066 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 558' ' ' GLN . . . . . 0.449 ' HG3' ' O ' ' A' ' 556' ' ' THR . 46.1 mt-30 -139.47 148.12 42.28 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.089 0.471 . . . . 2.07 111.386 -176.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -140.72 142.91 34.78 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.699 -0.482 . . . . 0.27 109.699 172.397 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 560' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 -127.32 125.3 40.57 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 108.8 -0.815 . . . . 0.33 108.8 177.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 561' ' ' LEU . . . . . 0.514 ' HB3' ' HE1' ' A' ' 563' ' ' MET . 15.0 tp -122.21 135.7 54.8 Favored 'General case' 0 C--N 1.313 -0.996 0 N-CA-C 109.218 -0.66 . . . . 0.22 109.218 -173.71 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 562' ' ' GLU . . . . . 0.541 ' HB2' HD12 ' A' ' 599' ' ' LEU . 33.2 tt0 -100.22 127.73 46.43 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.989 0.423 . . . . 1.85 110.608 -176.272 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 563' ' ' MET . . . . . 0.757 ' HG2' ' SD ' ' A' ' 572' ' ' MET . 0.6 OUTLIER -104.94 134.24 48.39 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.488 -0.778 . . . . 0.96 110.429 -179.492 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -63.78 -31.97 73.32 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.045 -0.979 . . . . 0.36 111.998 -174.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 565' ' ' TYR . . . . . 0.409 ' CD2' ' HG3' ' A' ' 516' ' ' LYS . 26.6 m-85 -124.56 133.86 53.16 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.107 -0.497 . . . . 1.27 109.777 -171.749 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 566' ' ' THR . . . . . 0.474 ' HB ' ' HB1' ' A' ' 518' ' ' ALA . 3.7 t -61.61 -37.48 84.1 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.833 -0.621 . . . . 0.52 110.646 178.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -66.95 -33.93 76.65 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-O 120.92 0.391 . . . . 1.91 110.137 176.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 568' ' ' ALA . . . . . 0.607 ' HB1' ' HA2' ' A' ' 545' ' ' GLY . . . -65.35 -46.65 79.38 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.77 -0.65 . . . . 0.28 109.994 178.009 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . 0.834 ' HA ' ' SD ' ' A' ' 572' ' ' MET . . . -67.0 -45.7 76.78 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.602 -0.726 . . . . 0.19 111.747 -176.705 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 570' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -68.1 -43.85 77.54 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.186 -0.461 . . . . 1.21 111.141 -176.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -69.05 -43.28 74.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.4 -0.364 . . . . 0.31 111.818 -177.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 572' ' ' MET . . . . . 0.834 ' SD ' ' HA ' ' A' ' 569' ' ' ALA . 6.7 ptm -59.73 -44.56 93.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.953 0.406 . . . . 0.62 110.517 -176.108 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 573' ' ' VAL . . . . . 0.471 HG21 ' HE3' ' A' ' 592' ' ' MET . 61.0 t -66.97 -36.36 76.96 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.698 0 CA-C-N 115.976 -0.557 . . . . 0.21 111.008 -178.386 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -59.36 -36.74 76.3 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.887 -0.325 . . . . 1.9 110.213 177.078 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 79.2 t80 -68.02 -49.72 59.76 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.307 -0.406 . . . . 0.52 110.921 172.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 576' ' ' TYR . . . . . 0.416 ' CB ' ' HB ' ' A' ' 590' ' ' ILE . 24.5 m-85 -73.64 -16.3 61.23 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.537 0.569 . . . . 0.34 112.537 -173.772 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 80.9 mm-40 -79.47 -27.0 41.56 Favored 'General case' 0 C--N 1.317 -0.837 0 O-C-N 122.134 -0.354 . . . . 1.84 110.859 174.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -97.06 -39.73 9.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.244 0.545 . . . . 2.07 111.065 177.172 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -130.36 80.22 70.9 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 115.633 -0.712 . . . . 2.07 109.486 177.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 14.4 Cg_exo -70.92 159.09 53.64 Favored 'Trans proline' 0 C--O 1.233 0.259 0 C-N-CA 123.555 2.837 . . . . 0.19 113.255 -172.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 581' ' ' ALA . . . . . 0.554 ' HB1' HD22 ' A' ' 540' ' ' LEU . . . -93.93 154.48 17.67 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.616 -0.72 . . . . 0.2 110.819 -174.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 64.5 mt -119.86 137.52 53.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 112.02 0.378 . . . . 0.54 112.02 -171.7 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 583' ' ' ILE . . . . . 0.514 ' CG1' HD11 ' A' ' 588' ' ' LEU . 29.4 mm -121.97 117.77 53.44 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.216 0 CA-C-N 116.223 -0.444 . . . . 0.73 110.309 172.153 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 57.4 37.24 27.85 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 120.795 0.331 . . . . 1.46 111.515 175.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 84.07 0.73 89.68 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.517 -0.849 . . . . 0.67 112.818 179.547 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -101.03 126.11 47.69 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.591 -0.522 . . . . 1.93 109.591 179.29 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 27.3 mtpp -83.29 107.47 15.84 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.128 0.49 . . . . 2.12 110.228 -177.563 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 588' ' ' LEU . . . . . 0.514 HD11 ' CG1' ' A' ' 583' ' ' ILE . 31.8 mt -84.29 139.46 32.3 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.702 -0.681 . . . . 0.28 110.611 -176.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 31.3 tp -95.36 110.08 22.15 Favored 'General case' 0 C--N 1.31 -1.12 0 N-CA-C 108.692 -0.855 . . . . 0.38 108.692 171.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 590' ' ' ILE . . . . . 0.416 ' HB ' ' CB ' ' A' ' 576' ' ' TYR . 38.0 mt -95.96 115.26 34.69 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 N-CA-C 108.139 -1.06 . . . . 0.17 108.139 178.186 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 591' ' ' ARG . . . . . 0.443 ' HA ' HG13 ' A' ' 573' ' ' VAL . 13.6 ptm180 -135.53 160.25 39.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.018 0.437 . . . . 3.0 111.786 -170.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 592' ' ' MET . . . . . 0.471 ' HE3' HG21 ' A' ' 573' ' ' VAL . 0.2 OUTLIER -64.47 126.76 28.85 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.128 -0.693 . . . . 0.33 109.128 177.611 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 32.9 t -75.04 127.0 32.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.074 0.464 . . . . 1.04 111.062 -174.094 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 13.3 t -98.53 4.05 48.18 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.68 -0.691 . . . . 1.6 109.671 175.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 35.2 mmt180 -103.78 -39.36 6.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.834 -0.621 . . . . 2.94 110.873 -177.379 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 65.2 m-85 -124.8 135.4 52.91 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.342 -0.39 . . . . 0.93 110.695 -177.161 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -89.85 -41.43 11.82 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.231 -0.655 . . . . 3.4 109.231 172.38 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -143.45 155.59 44.41 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.049 -0.978 . . . . 2.02 109.218 176.487 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 599' ' ' LEU . . . . . 0.541 HD12 ' HB2' ' A' ' 562' ' ' GLU . 93.4 mt -92.67 109.37 20.78 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.11 0.481 . . . . 1.02 110.548 -179.196 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -94.02 71.76 4.01 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.412 0.625 . . . . 2.87 110.431 -179.657 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 601' ' ' LEU . . . . . 0.442 HD21 HG12 ' A' ' 551' ' ' ILE . 97.8 mt -67.63 143.71 55.89 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.257 -0.883 . . . . 1.47 110.484 177.747 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.38 -3.32 45.79 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.394 0.616 . . . . 5.4 110.132 176.659 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt -79.61 129.19 72.26 Favored Pre-proline 0 C--N 1.327 -0.407 0 N-CA-C 108.85 -0.796 . . . . 5.81 108.85 171.333 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 604' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_endo -73.87 58.63 4.11 Favored 'Trans proline' 0 CA--C 1.533 0.448 0 C-N-CA 122.976 2.451 . . . . 6.24 113.999 -172.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 605' ' ' GLY . . . . . . . . . . . . . . . 60.61 63.23 5.16 Favored Glycine 0 N--CA 1.452 -0.236 0 CA-C-N 116.27 -0.423 . . . . 6.9 113.119 174.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 35.8 mmtp -106.87 12.23 29.13 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.663 0.268 . . . . 8.87 110.591 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 607' ' ' ASN . . . . . 0.48 HD22 ' HA ' ' A' ' 611' ' ' ILE . 56.1 m-20 61.55 -149.37 0.4 Allowed 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.877 -0.602 . . . . 9.21 110.519 178.238 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 59.0 t -81.61 -83.27 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.553 -0.294 . . . . 9.63 110.439 177.426 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -138.93 10.98 2.63 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-O 121.101 0.477 . . . . 9.47 110.589 176.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -159.14 167.25 29.63 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.808 -0.633 . . . . 9.11 109.83 -178.017 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . 0.48 ' HA ' HD22 ' A' ' 607' ' ' ASN . 50.3 mm -79.29 93.52 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 109.564 -0.532 . . . . 8.31 109.564 176.578 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 612' ' ' ILE . . . . . . . . . . . . . 59.2 mt -118.0 78.7 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.601 -0.727 . . . . 8.86 109.322 178.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -139.03 -19.53 0.99 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.712 -0.676 . . . . 10.28 111.635 -171.246 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -77.71 -65.21 0.99 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.614 -0.266 . . . . 10.41 111.465 -173.3 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 615' ' ' ILE . . . . . . . . . . . . . 29.5 mt -77.48 138.67 20.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 109.6 -0.519 . . . . 8.61 109.6 -176.297 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 86.3 m-70 -81.81 -32.41 31.29 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.309 0.485 . . . . 6.75 112.309 -166.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 5.3 t -117.04 -1.89 11.83 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.251 -0.58 . . . . 6.99 112.236 -174.319 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 618' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -90.42 154.78 19.41 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 121.24 0.543 . . . . 9.26 111.529 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 91.5 mtt180 -90.86 27.05 1.9 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.416 -0.811 . . . . 12.9 110.039 -179.141 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 620' ' ' GLU . . . . . 0.421 ' O ' ' HB2' ' A' ' 621' ' ' ARG . 37.4 tt0 -165.62 148.86 7.87 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.223 -0.899 . . . . 11.34 108.813 -174.62 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 621' ' ' ARG . . . . . 0.617 ' NE ' ' HA ' ' A' ' 621' ' ' ARG . 2.7 mmp_? . . . . . 0 C--O 1.248 1.009 0 O-C-N 124.001 0.813 . . . . 11.46 111.586 -179.629 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.607 0 N-CA-C 112.029 -0.428 . . . . 6.72 112.029 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . -80.59 133.01 35.71 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.773 0.321 . . . . 5.43 110.824 -177.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -154.89 -179.22 7.83 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 108.873 -0.788 . . . . 6.23 108.873 177.061 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 513' ' ' ALA . . . . . 0.426 ' CB ' ' HB ' ' A' ' 548' ' ' THR . . . -85.57 -152.56 0.16 Allowed 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 116.753 -0.203 . . . . 2.28 110.887 -178.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 514' ' ' GLN . . . . . . . . . . . . . 9.6 mm100 60.57 91.51 0.05 Allowed 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 121.281 0.562 . . . . 5.14 110.595 -179.246 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 515' ' ' ARG . . . . . 0.519 ' NE ' ' HA ' ' A' ' 515' ' ' ARG . 4.3 mmp_? -84.39 -44.98 13.2 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.91 -0.586 . . . . 6.6 111.055 -174.556 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -99.24 157.33 16.46 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.459 -0.337 . . . . 5.25 110.101 177.338 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -77.8 58.39 3.86 Favored Glycine 0 N--CA 1.452 -0.255 0 CA-C-N 116.193 -0.458 . . . . 3.29 113.115 -175.011 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 518' ' ' ALA . . . . . . . . . . . . . . . -157.11 -86.51 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.665 0.269 . . . . 2.38 110.874 179.16 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 75.95 145.73 1.62 Allowed Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.898 -0.668 . . . . 1.58 111.808 -176.273 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 520' ' ' ARG . . . . . 0.43 ' HA ' ' O ' ' A' ' 597' ' ' LYS . 79.0 mtt180 -145.84 143.23 29.5 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.681 0.277 . . . . 2.39 110.555 177.752 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 521' ' ' VAL . . . . . 0.428 ' HB ' ' O ' ' A' ' 596' ' ' TYR . 78.3 t -96.4 135.18 31.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.851 -0.613 . . . . 0.44 110.814 178.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 522' ' ' VAL . . . . . . . . . . . . . 49.4 t -101.96 135.42 38.88 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-N 115.447 -0.797 . . . . 0.25 109.495 175.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 20.3 t-80 -105.35 116.67 32.34 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.048 0.451 . . . . 1.75 110.544 -176.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 524' ' ' ILE . . . . . 0.481 HD12 HG13 ' A' ' 537' ' ' VAL . 73.6 mt -108.64 123.73 64.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 115.483 -0.78 . . . . 0.28 109.773 177.808 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 525' ' ' CYS . . . . . 0.428 ' SG ' ' HG2' ' A' ' 558' ' ' GLN . 23.7 t -121.22 176.32 5.67 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.207 -0.451 . . . . 1.28 110.075 -177.611 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 68.1 30.81 5.7 Favored 'General case' 0 C--N 1.331 -0.229 0 O-C-N 123.775 0.672 . . . . 1.22 110.599 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 527' ' ' LEU . . . . . 0.433 HD21 HD13 ' A' ' 588' ' ' LEU . 87.4 mt -86.34 120.24 72.07 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 116.086 -0.506 . . . . 0.6 110.763 -178.306 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 528' ' ' PRO . . . . . 0.527 ' HD2' ' SG ' ' A' ' 532' ' ' CYS . 37.3 Cg_endo -69.74 130.45 19.39 Favored 'Trans proline' 0 C--O 1.237 0.453 0 C-N-CA 122.019 1.813 . . . . 0.62 111.766 175.344 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.57 139.34 53.7 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.178 -0.465 . . . . 2.98 110.797 177.799 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 82.17 -18.7 12.41 Favored Glycine 0 N--CA 1.449 -0.462 0 CA-C-N 115.795 -0.639 . . . . 0.94 113.262 177.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 531' ' ' SER . . . . . 0.518 ' HB3' HD22 ' A' ' 584' ' ' ASN . 17.2 m -99.6 -38.32 8.79 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 117.181 0.49 . . . . 1.17 110.676 179.038 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 532' ' ' CYS . . . . . 0.527 ' SG ' ' HD2' ' A' ' 528' ' ' PRO . 71.6 m -89.17 126.26 35.4 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.283 -0.417 . . . . 0.77 110.556 174.427 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 39.2 p -105.9 170.88 7.65 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.702 -0.481 . . . . 0.54 109.702 176.367 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 534' ' ' GLU . . . . . 0.519 ' HG2' ' CD1' ' A' ' 552' ' ' LEU . 34.1 mt-10 -53.07 -46.38 68.56 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.096 0.474 . . . . 1.32 110.468 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -62.98 -42.65 99.9 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.176 -0.92 . . . . 1.95 111.986 -174.337 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 536' ' ' ASP . . . . . 0.567 ' O ' ' HG ' ' A' ' 540' ' ' LEU . 48.2 m-20 -59.65 -46.06 90.15 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 120.845 0.355 . . . . 0.52 111.126 -175.411 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 537' ' ' VAL . . . . . 0.481 HG13 HD12 ' A' ' 524' ' ' ILE . 60.7 t -61.89 -42.78 95.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.812 -0.631 . . . . 0.25 110.183 -178.18 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 538' ' ' ILE . . . . . 0.444 ' O ' ' HG ' ' A' ' 542' ' ' LEU . 85.1 mt -66.1 -45.63 89.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.758 -0.655 . . . . 0.24 110.588 178.119 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -61.23 -28.37 69.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.611 -0.722 . . . . 1.07 111.85 -178.072 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 540' ' ' LEU . . . . . 0.567 ' HG ' ' O ' ' A' ' 536' ' ' ASP . 52.9 mt -73.84 -33.38 64.09 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 111.612 0.227 . . . . 0.36 111.612 179.125 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -78.9 -40.4 17.34 Favored Glycine 0 N--CA 1.453 -0.173 0 C-N-CA 120.366 -0.921 . . . . 0.22 112.565 -177.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 542' ' ' LEU . . . . . 0.591 ' HA ' ' O ' ' A' ' 545' ' ' GLY . 87.7 mt -47.65 -46.29 60.5 Favored Pre-proline 0 CA--C 1.546 0.81 0 N-CA-C 114.706 1.372 . . . . 0.25 114.706 -174.504 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -46.9 -34.48 16.33 Favored 'Trans proline' 0 C--N 1.361 1.186 0 C-N-CA 122.612 2.208 . . . . 0.19 115.59 -172.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 544' ' ' PHE . . . . . 0.513 ' HB2' ' CB ' ' A' ' 572' ' ' MET . 74.1 m-85 -111.83 -18.15 12.77 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.158 -0.617 . . . . 0.35 112.633 175.141 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 545' ' ' GLY . . . . . 0.591 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . -150.45 133.98 4.57 Favored Glycine 0 C--O 1.225 -0.435 0 C-N-CA 120.65 -0.786 . . . . 1.14 113.243 179.02 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -70.56 137.97 50.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.976 0.417 . . . . 1.56 111.386 179.376 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 91.1 t -94.69 136.27 26.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.276 -0.875 . . . . 0.25 110.89 -177.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 548' ' ' THR . . . . . 0.426 ' HB ' ' CB ' ' A' ' 513' ' ' ALA . 33.6 p -104.99 -42.06 5.43 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.043 -0.526 . . . . 0.37 112.133 178.181 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 67.6 m-80 -149.48 165.79 31.09 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.699 -0.482 . . . . 1.43 109.699 -177.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 33.3 p90 -148.96 149.48 31.25 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.11 0.481 . . . . 0.47 111.082 178.427 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 551' ' ' ILE . . . . . 0.471 HD12 HD22 ' A' ' 599' ' ' LEU . 15.7 mt -128.96 124.54 61.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 109.021 -0.733 . . . . 0.37 109.021 173.703 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 552' ' ' LEU . . . . . 0.519 ' CD1' ' HG2' ' A' ' 534' ' ' GLU . 85.1 mt -110.32 111.01 22.03 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 116.283 -0.417 . . . . 0.45 111.245 -176.282 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 65.1 mtt -107.58 84.31 1.94 Allowed 'General case' 0 N--CA 1.446 -0.64 0 CA-C-O 121.876 0.846 . . . . 1.18 108.741 173.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 30.1 mmtp -67.79 -29.2 68.33 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.488 -1.233 . . . . 1.45 110.508 -176.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 66.0 p -55.41 -32.46 62.68 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.519 -0.764 . . . . 1.11 111.049 176.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 556' ' ' THR . . . . . 0.501 ' O ' ' HG3' ' A' ' 558' ' ' GLN . 71.2 p -104.83 4.41 32.12 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.332 -0.394 . . . . 0.88 111.307 -179.313 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 18.2 m120 57.11 41.31 27.48 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 115.492 -0.776 . . . . 2.35 111.147 -176.136 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 558' ' ' GLN . . . . . 0.501 ' HG3' ' O ' ' A' ' 556' ' ' THR . 75.2 mt-30 -139.48 149.88 44.5 Favored 'General case' 0 N--CA 1.443 -0.819 0 CA-C-O 121.122 0.486 . . . . 2.07 111.184 -175.026 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -130.68 145.94 52.04 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.732 -0.667 . . . . 0.27 110.534 178.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 560' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 -116.45 125.25 51.72 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 109.037 -0.727 . . . . 0.33 109.037 175.475 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 14.8 tp -122.55 121.76 37.28 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 116.226 -0.443 . . . . 0.22 109.877 -173.315 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 562' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -99.64 137.82 37.59 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.732 0.301 . . . . 1.85 110.624 -174.605 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 563' ' ' MET . . . . . . . . . . . . . 17.5 mmt -113.75 145.02 42.0 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.929 -0.578 . . . . 0.96 111.266 -174.436 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -64.78 -21.57 66.8 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.029 -0.987 . . . . 0.36 112.179 -176.159 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 565' ' ' TYR . . . . . 0.489 ' OH ' ' HB3' ' A' ' 616' ' ' HIS . 34.2 m-85 -134.23 145.03 48.78 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.057 -0.519 . . . . 1.27 110.371 -176.559 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 5.9 t -63.11 -36.99 85.45 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.458 -0.792 . . . . 0.52 109.988 174.441 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -66.87 -37.49 84.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.085 -0.507 . . . . 1.91 111.021 175.608 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 568' ' ' ALA . . . . . 0.549 ' HB1' ' CA ' ' A' ' 545' ' ' GLY . . . -61.8 -46.09 91.03 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.063 -0.517 . . . . 0.28 110.404 -177.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . 0.461 ' HB1' ' HE1' ' A' ' 592' ' ' MET . . . -67.98 -45.81 73.11 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.627 -0.715 . . . . 0.19 111.56 -179.446 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 570' ' ' GLN . . . . . 0.504 ' O ' ' HG2' ' A' ' 574' ' ' GLN . 49.9 mt-30 -68.16 -45.84 72.41 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.476 -0.329 . . . . 1.21 111.541 -177.19 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -62.34 -42.96 99.81 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.66 -0.246 . . . . 0.31 111.223 -176.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 572' ' ' MET . . . . . 0.513 ' CB ' ' HB2' ' A' ' 544' ' ' PHE . 14.4 ptp -64.49 -45.15 88.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.39 -0.368 . . . . 0.62 110.23 -179.577 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 573' ' ' VAL . . . . . 0.736 HG13 ' HA ' ' A' ' 591' ' ' ARG . 61.6 t -66.91 -37.82 80.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 116.108 -0.497 . . . . 0.21 111.555 -176.816 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 574' ' ' GLN . . . . . 0.504 ' HG2' ' O ' ' A' ' 570' ' ' GLN . 83.4 mm-40 -59.44 -37.17 77.43 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.606 -0.516 . . . . 1.9 109.606 177.569 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 59.3 t80 -69.41 -50.14 48.7 Favored 'General case' 0 C--O 1.219 -0.521 0 CA-C-N 116.113 -0.494 . . . . 0.52 111.041 173.654 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 576' ' ' TYR . . . . . 0.457 ' CB ' ' HB ' ' A' ' 590' ' ' ILE . 19.8 m-85 -74.26 -16.76 60.94 Favored 'General case' 0 C--O 1.222 -0.378 0 N-CA-C 113.001 0.741 . . . . 0.34 113.001 -171.762 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 90.8 mt-30 -75.79 -28.92 58.57 Favored 'General case' 0 C--N 1.317 -0.822 0 C-N-CA 120.042 -0.663 . . . . 1.84 110.756 173.629 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -97.62 -38.31 9.58 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.041 0.448 . . . . 2.07 111.236 177.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 26.8 mmmt -129.47 81.46 69.9 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-O 121.265 0.555 . . . . 2.07 110.167 174.453 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -69.71 159.4 53.58 Favored 'Trans proline' 0 C--O 1.235 0.341 0 C-N-CA 123.532 2.822 . . . . 0.19 112.632 -176.228 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -92.76 147.6 22.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.972 -0.558 . . . . 0.2 110.553 -175.608 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 582' ' ' ILE . . . . . 0.422 HG12 ' HG2' ' A' ' 587' ' ' LYS . 54.3 mt -116.19 131.76 67.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 116.115 -0.493 . . . . 0.54 111.556 -170.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 583' ' ' ILE . . . . . 0.454 HD12 HD11 ' A' ' 588' ' ' LEU . 47.5 mt -121.23 117.33 52.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.149 -0.478 . . . . 0.73 110.131 172.482 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 584' ' ' ASN . . . . . 0.518 HD22 ' HB3' ' A' ' 531' ' ' SER . 93.7 m-20 54.98 42.27 31.19 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.864 -0.607 . . . . 1.46 111.798 176.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 84.86 -2.64 88.09 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.708 -0.758 . . . . 0.67 113.205 176.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 -101.13 125.64 47.76 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.698 -0.482 . . . . 1.93 109.698 179.361 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 587' ' ' LYS . . . . . 0.422 ' HG2' HG12 ' A' ' 582' ' ' ILE . 53.3 mtpt -86.48 110.13 19.55 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.779 -0.452 . . . . 2.12 109.779 179.534 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 588' ' ' LEU . . . . . 0.454 HD11 HD12 ' A' ' 583' ' ' ILE . 41.0 mt -84.9 125.44 32.64 Favored 'General case' 0 CA--C 1.504 -0.812 0 N-CA-C 109.706 -0.479 . . . . 0.28 109.706 179.579 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 55.8 tp -82.33 107.86 15.32 Favored 'General case' 0 N--CA 1.434 -1.24 0 N-CA-C 107.768 -1.197 . . . . 0.38 107.768 172.087 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 590' ' ' ILE . . . . . 0.457 ' HB ' ' CB ' ' A' ' 576' ' ' TYR . 64.9 mt -95.42 115.07 33.45 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.908 0 N-CA-C 108.081 -1.081 . . . . 0.17 108.081 179.018 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 591' ' ' ARG . . . . . 0.736 ' HA ' HG13 ' A' ' 573' ' ' VAL . 14.8 ptt180 -141.95 162.24 35.98 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.022 0.439 . . . . 3.0 112.029 -171.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 592' ' ' MET . . . . . 0.617 ' HG2' HG11 ' A' ' 573' ' ' VAL . 0.1 OUTLIER -65.93 132.84 49.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.72 -0.673 . . . . 0.33 110.283 -176.804 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 32.1 t -80.93 127.11 32.2 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.022 0.439 . . . . 1.04 110.55 -178.427 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 8.8 t -97.63 5.7 49.03 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.53 0.681 . . . . 1.6 109.547 174.649 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 92.0 mtt180 -96.63 -41.15 8.66 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.639 -0.709 . . . . 2.94 110.165 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 596' ' ' TYR . . . . . 0.428 ' O ' ' HB ' ' A' ' 521' ' ' VAL . 33.4 m-85 -131.93 134.47 45.69 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.078 -0.51 . . . . 0.93 110.304 179.601 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 597' ' ' LYS . . . . . 0.43 ' O ' ' HA ' ' A' ' 520' ' ' ARG . 18.8 ptpt -90.54 -27.21 19.32 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.355 -0.609 . . . . 3.4 109.355 172.293 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -149.44 150.92 33.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.385 -0.825 . . . . 2.02 109.893 177.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 599' ' ' LEU . . . . . 0.471 HD22 HD12 ' A' ' 551' ' ' ILE . 96.1 mt -93.26 145.28 24.56 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.096 -0.502 . . . . 1.02 109.877 179.755 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -121.49 78.18 1.41 Allowed 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.193 0.521 . . . . 2.87 109.933 178.271 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 54.2 mt -74.66 143.28 44.34 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.578 -0.737 . . . . 1.47 110.929 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 26.7 tptp -86.76 -6.93 58.68 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 108.687 -0.857 . . . . 5.4 108.687 175.103 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -123.34 101.9 37.21 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 114.988 -1.005 . . . . 5.81 109.919 177.47 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 604' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -72.59 89.67 0.83 Allowed 'Trans proline' 0 N--CA 1.462 -0.352 0 C-N-CA 122.454 2.103 . . . . 6.24 112.072 -179.658 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 605' ' ' GLY . . . . . . . . . . . . . . . -85.09 42.43 3.15 Favored Glycine 0 N--CA 1.449 -0.438 0 CA-C-N 115.922 -0.581 . . . . 6.9 112.917 -177.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . 0.434 ' HD3' ' HA ' ' A' ' 606' ' ' LYS . 39.5 mmtm -140.29 51.72 1.67 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.321 0.581 . . . . 8.87 110.475 176.064 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -134.59 17.8 3.61 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.31 -0.859 . . . . 9.21 110.141 177.158 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 61.6 t -126.96 -54.71 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.854 -0.612 . . . . 9.63 111.14 -178.202 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -100.69 106.34 17.78 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 111.899 0.333 . . . . 9.47 111.899 -173.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . 61.24 94.17 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.214 -0.903 . . . . 9.11 112.516 175.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 37.1 mm -101.46 93.11 2.66 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 CA-C-N 115.438 -0.801 . . . . 8.31 109.515 179.291 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 612' ' ' ILE . . . . . 0.418 HD13 ' HA ' ' A' ' 617' ' ' SER . 46.2 mt -98.64 86.35 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.942 -0.572 . . . . 8.86 111.105 -174.141 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 64.8 mt-30 -95.3 -25.4 16.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.299 -0.41 . . . . 10.28 110.022 174.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -56.61 -47.47 79.57 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 115.684 -0.689 . . . . 10.41 110.764 -178.675 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 615' ' ' ILE . . . . . 0.546 HD11 ' O ' ' A' ' 618' ' ' GLN . 0.2 OUTLIER -138.85 -157.66 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.527 -0.76 . . . . 8.61 109.093 -179.303 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 616' ' ' HIS . . . . . 0.489 ' HB3' ' OH ' ' A' ' 565' ' ' TYR . 51.6 m80 -82.71 -65.01 1.06 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 117.72 0.236 . . . . 6.75 110.77 -179.722 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 617' ' ' SER . . . . . 0.418 ' HA ' HD13 ' A' ' 612' ' ' ILE . 52.7 p -158.85 61.83 0.42 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.035 0.445 . . . . 6.99 111.645 179.634 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 618' ' ' GLN . . . . . 0.546 ' O ' HD11 ' A' ' 615' ' ' ILE . 26.7 mt-30 -132.46 141.76 48.95 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.844 -0.428 . . . . 9.26 109.844 177.056 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 53.02 74.28 0.31 Allowed 'General case' 0 C--O 1.236 0.389 0 O-C-N 123.584 0.553 . . . . 12.9 110.758 178.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 620' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -84.8 -178.29 6.81 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.167 -0.47 . . . . 11.34 111.265 -175.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 78.6 mtp180 . . . . . 0 C--O 1.249 1.074 0 CA-C-N 115.493 -0.776 . . . . 11.46 110.796 179.117 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 510' ' ' GLY . . . . . 0.485 ' HA3' ' O ' ' A' ' 603' ' ' LYS . . . . . . . . 0 N--CA 1.481 1.634 0 N-CA-C 111.887 -0.485 . . . . 6.72 111.887 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 511' ' ' ALA . . . . . 0.466 ' HB3' ' H ' ' A' ' 606' ' ' LYS . . . -93.24 89.7 6.52 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.144 0.497 . . . . 5.43 111.172 -177.466 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 24.1 ttt -137.9 24.57 2.82 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.728 0.775 . . . . 6.23 109.303 175.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 513' ' ' ALA . . . . . 0.575 ' HB2' ' ND2' ' A' ' 549' ' ' ASN . . . -159.39 131.43 6.46 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.274 -0.875 . . . . 2.28 110.158 -179.658 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 514' ' ' GLN . . . . . 0.486 ' C ' ' H ' ' A' ' 516' ' ' LYS . 12.6 mm100 -89.36 -24.74 21.88 Favored 'General case' 0 CA--C 1.512 -0.496 0 N-CA-C 109.426 -0.583 . . . . 5.14 109.426 174.393 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 515' ' ' ARG . . . . . 0.425 ' HB2' ' O ' ' A' ' 514' ' ' GLN . 62.4 mtm180 75.81 -24.96 0.21 Allowed 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 114.97 -1.014 . . . . 6.6 111.229 -178.121 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 516' ' ' LYS . . . . . 0.509 ' HB2' ' O ' ' A' ' 564' ' ' ALA . 41.7 mmtm 71.58 39.59 0.87 Allowed 'General case' 0 CA--C 1.513 -0.457 0 CA-C-N 114.9 -1.045 . . . . 5.25 109.269 178.675 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 517' ' ' GLY . . . . . 0.441 ' HA3' ' CD2' ' A' ' 616' ' ' HIS . . . 72.0 17.37 77.03 Favored Glycine 0 N--CA 1.445 -0.751 0 CA-C-N 114.954 -1.021 . . . . 3.29 112.085 -177.405 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 518' ' ' ALA . . . . . . . . . . . . . . . -152.5 -89.3 0.06 Allowed 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 111.824 0.305 . . . . 2.38 111.824 -178.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 81.72 115.87 0.42 Allowed Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.954 -0.641 . . . . 1.58 112.149 -176.101 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 57.8 mtt-85 -138.81 151.73 47.28 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.69 0.281 . . . . 2.39 110.454 177.364 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 521' ' ' VAL . . . . . 0.425 HG22 ' HG ' ' A' ' 599' ' ' LEU . 94.7 t -117.22 133.33 64.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 121.375 0.607 . . . . 0.44 111.086 -179.232 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 522' ' ' VAL . . . . . . . . . . . . . 96.8 t -106.85 134.72 47.68 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 CA-C-N 115.352 -0.84 . . . . 0.25 109.452 174.279 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 523' ' ' HIS . . . . . 0.525 ' HA ' ' O ' ' A' ' 559' ' ' ALA . 5.8 p-80 -110.14 134.26 52.38 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.259 0.552 . . . . 1.75 110.101 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 524' ' ' ILE . . . . . 0.521 HD12 HG13 ' A' ' 537' ' ' VAL . 97.2 mt -111.06 137.05 45.18 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-N 115.59 -0.732 . . . . 0.28 110.779 -176.154 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 62.3 m -117.8 175.13 5.8 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.016 -0.538 . . . . 1.28 111.234 -175.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 17.5 m120 68.87 26.29 5.92 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.31 -0.859 . . . . 1.22 111.098 176.55 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 527' ' ' LEU . . . . . 0.444 HD21 HD13 ' A' ' 588' ' ' LEU . 79.2 mt -87.9 119.42 70.49 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 116.152 -0.476 . . . . 0.6 111.423 -176.648 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 528' ' ' PRO . . . . . 0.504 ' HD2' ' SG ' ' A' ' 532' ' ' CYS . 36.7 Cg_endo -69.69 130.09 18.8 Favored 'Trans proline' 0 N--CA 1.46 -0.499 0 C-N-CA 121.7 1.6 . . . . 0.62 111.453 172.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -69.71 139.17 53.38 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.172 -0.467 . . . . 2.98 111.031 177.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 80.47 -17.95 9.5 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 121.019 -0.61 . . . . 0.94 113.647 175.392 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 14.0 t -98.72 -34.23 10.61 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.936 0.398 . . . . 1.17 110.698 -178.139 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 532' ' ' CYS . . . . . 0.504 ' SG ' ' HD2' ' A' ' 528' ' ' PRO . 59.3 m -80.35 142.09 34.78 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.35 -0.386 . . . . 0.77 110.217 178.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 52.7 p -105.42 165.91 10.8 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.862 -0.422 . . . . 0.54 109.862 176.544 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -62.93 -36.89 84.9 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.066 0.46 . . . . 1.32 109.785 177.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -62.33 -44.13 97.22 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.472 -0.786 . . . . 1.95 111.865 179.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 536' ' ' ASP . . . . . 0.538 ' O ' ' HG ' ' A' ' 540' ' ' LEU . 65.2 m-20 -61.53 -48.08 82.67 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 120.773 0.321 . . . . 0.52 111.489 -173.534 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 537' ' ' VAL . . . . . 0.521 HG13 HD12 ' A' ' 524' ' ' ILE . 86.1 t -65.0 -42.14 93.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.992 -0.549 . . . . 0.25 110.967 -176.047 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 83.2 mt -66.17 -43.75 91.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 121.23 0.538 . . . . 0.24 110.123 177.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 539' ' ' ASN . . . . . 0.467 ' O ' ' HD3' ' A' ' 543' ' ' PRO . 76.4 m-20 -62.71 -26.14 68.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.485 -0.779 . . . . 1.07 112.11 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 540' ' ' LEU . . . . . 0.538 ' HG ' ' O ' ' A' ' 536' ' ' ASP . 29.8 mt -69.91 -39.55 76.12 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.902 -0.319 . . . . 0.36 111.655 177.039 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -77.14 -41.14 22.74 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.306 -0.949 . . . . 0.22 112.449 -177.128 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 542' ' ' LEU . . . . . 0.512 ' HA ' ' O ' ' A' ' 545' ' ' GLY . 69.4 mt -48.36 -44.5 64.33 Favored Pre-proline 0 CA--C 1.549 0.906 0 N-CA-C 115.114 1.524 . . . . 0.25 115.114 -173.443 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 543' ' ' PRO . . . . . 0.467 ' HD3' ' O ' ' A' ' 539' ' ' ASN . 75.8 Cg_exo -51.16 -34.47 48.24 Favored 'Trans proline' 0 C--N 1.359 1.103 0 C-N-CA 122.558 2.172 . . . . 0.19 115.77 -173.017 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 544' ' ' PHE . . . . . 0.487 ' HB2' ' CB ' ' A' ' 572' ' ' MET . 96.1 m-85 -111.1 -18.41 13.02 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.038 -0.665 . . . . 0.35 112.379 177.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 545' ' ' GLY . . . . . 0.523 ' CA ' ' HB1' ' A' ' 568' ' ' ALA . . . -148.81 136.99 6.1 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.779 -0.724 . . . . 1.14 112.952 178.032 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 546' ' ' LYS . . . . . 0.41 ' O ' ' HA ' ' A' ' 563' ' ' MET . 23.6 tptm -69.09 143.36 54.22 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.744 0.307 . . . . 1.56 111.143 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 88.9 t -105.07 135.22 44.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.83 -0.623 . . . . 0.25 110.907 -179.102 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 28.4 p -104.69 -40.24 6.06 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.982 -0.554 . . . . 0.37 112.046 178.295 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 549' ' ' ASN . . . . . 0.575 ' ND2' ' HB2' ' A' ' 513' ' ' ALA . 67.6 m-80 -150.1 167.06 27.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.379 -0.373 . . . . 1.43 110.144 -178.064 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 38.9 p90 -148.82 150.48 33.1 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.883 0.373 . . . . 0.47 111.152 179.4 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 551' ' ' ILE . . . . . 0.433 HD12 HD22 ' A' ' 599' ' ' LEU . 29.2 mt -134.24 121.49 37.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 108.596 -0.89 . . . . 0.37 108.596 170.838 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 552' ' ' LEU . . . . . . . . . . . . . 83.0 mt -112.55 110.07 20.01 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 116.332 -0.395 . . . . 0.45 111.608 -174.413 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 63.8 mtt -109.72 82.41 1.59 Allowed 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.891 -0.781 . . . . 1.18 108.891 171.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 40.2 mttp -69.69 -30.69 68.4 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.425 -0.807 . . . . 1.45 110.903 -171.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 64.5 p -65.21 -22.57 66.91 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.796 -0.638 . . . . 1.11 111.602 -179.223 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 66.4 p -99.48 9.97 42.25 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 111.802 0.297 . . . . 0.88 111.802 178.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 56.87 41.79 27.41 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 121.507 0.67 . . . . 2.35 110.19 -178.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 21.4 mm-40 -146.69 149.37 33.32 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.91 -0.586 . . . . 2.07 110.425 -175.31 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 559' ' ' ALA . . . . . 0.525 ' O ' ' HA ' ' A' ' 523' ' ' HIS . . . -139.39 143.93 37.92 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 116.175 -0.466 . . . . 0.27 109.95 174.237 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 560' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -118.5 125.79 50.63 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 109.468 -0.567 . . . . 0.33 109.468 178.251 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 561' ' ' LEU . . . . . 0.502 ' HB3' ' HE1' ' A' ' 563' ' ' MET . 15.8 tp -125.75 131.21 52.56 Favored 'General case' 0 C--N 1.314 -0.952 0 N-CA-C 109.322 -0.621 . . . . 0.22 109.322 -175.748 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 562' ' ' GLU . . . . . 0.425 ' HB2' HD12 ' A' ' 599' ' ' LEU . 42.4 tt0 -100.48 134.08 43.96 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.887 0.375 . . . . 1.85 110.453 -176.519 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 563' ' ' MET . . . . . 0.613 ' HE2' ' SD ' ' A' ' 572' ' ' MET . 1.1 mpt? -109.55 139.61 44.35 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 121.505 0.669 . . . . 0.96 110.95 -177.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 564' ' ' ALA . . . . . 0.509 ' O ' ' HB2' ' A' ' 516' ' ' LYS . . . -60.97 -41.18 95.88 Favored 'General case' 0 C--O 1.22 -0.458 0 CA-C-N 114.139 -1.391 . . . . 0.36 111.93 -175.208 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 66.1 m-85 -115.22 147.13 40.73 Favored 'General case' 0 C--N 1.317 -0.827 0 C-N-CA 120.818 -0.353 . . . . 1.27 110.478 -175.706 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 6.2 t -58.39 -39.23 79.09 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.872 -0.604 . . . . 0.52 110.636 176.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -67.54 -33.61 75.4 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-N 116.091 -0.504 . . . . 1.91 111.198 177.172 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 568' ' ' ALA . . . . . 0.523 ' HB1' ' CA ' ' A' ' 545' ' ' GLY . . . -62.17 -46.05 90.68 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.206 -0.452 . . . . 0.28 110.764 -175.503 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . 0.494 ' HB2' ' HB2' ' A' ' 563' ' ' MET . . . -68.31 -47.23 68.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.19 111.584 -178.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 570' ' ' GLN . . . . . 0.571 ' O ' ' HG2' ' A' ' 574' ' ' GLN . 48.7 mt-30 -69.35 -45.65 68.91 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.139 -0.482 . . . . 1.21 111.588 -175.127 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -62.25 -44.14 97.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.341 -0.39 . . . . 0.31 111.431 -176.406 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 572' ' ' MET . . . . . 0.613 ' SD ' ' HE2' ' A' ' 563' ' ' MET . 14.0 ptp -63.37 -44.46 94.73 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.848 0.356 . . . . 0.62 110.463 -178.454 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 573' ' ' VAL . . . . . 0.635 HG13 ' HA ' ' A' ' 591' ' ' ARG . 70.0 t -67.27 -37.61 79.42 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.58 0 CA-C-N 116.313 -0.403 . . . . 0.21 111.762 -175.601 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 574' ' ' GLN . . . . . 0.571 ' HG2' ' O ' ' A' ' 570' ' ' GLN . 23.8 mm-40 -60.21 -35.84 76.32 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.401 -0.592 . . . . 1.9 109.401 178.02 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -67.7 -50.04 59.58 Favored 'General case' 0 C--O 1.217 -0.638 0 CA-C-N 115.736 -0.666 . . . . 0.52 110.607 172.421 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 576' ' ' TYR . . . . . 0.497 ' CB ' ' HB ' ' A' ' 590' ' ' ILE . 29.7 m-85 -74.14 -16.56 61.0 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 113.038 0.755 . . . . 0.34 113.038 -173.146 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 577' ' ' GLN . . . . . 0.47 ' NE2' ' HB3' ' A' ' 591' ' ' ARG . 25.5 mm-40 -75.3 -30.3 60.33 Favored 'General case' 0 C--N 1.317 -0.806 0 O-C-N 121.905 -0.497 . . . . 1.84 110.546 174.74 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 -97.83 -39.31 9.08 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.117 0.484 . . . . 2.07 110.731 178.013 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 26.6 mtpp -128.65 82.47 68.59 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 115.674 -0.693 . . . . 2.07 109.932 176.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -70.49 160.16 50.45 Favored 'Trans proline' 0 CA--C 1.532 0.39 0 C-N-CA 123.599 2.866 . . . . 0.19 112.696 -176.178 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 581' ' ' ALA . . . . . 0.454 ' HB1' HD22 ' A' ' 540' ' ' LEU . . . -92.51 153.27 19.18 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.203 -0.453 . . . . 0.2 110.803 -173.685 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 67.2 mt -112.67 127.84 69.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 112.648 0.61 . . . . 0.54 112.648 -170.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 583' ' ' ILE . . . . . 0.495 HD12 HD11 ' A' ' 588' ' ' LEU . 17.9 mt -123.64 129.68 74.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.552 -0.749 . . . . 0.73 110.303 171.154 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 13.8 m120 59.11 33.84 23.05 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 116.032 -0.531 . . . . 1.46 111.093 177.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 76.82 8.83 86.65 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.885 -0.674 . . . . 0.67 112.906 179.646 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -117.36 130.87 56.79 Favored 'General case' 0 N--CA 1.441 -0.881 0 CA-C-O 120.859 0.362 . . . . 1.93 110.682 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -75.62 119.82 20.18 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.058 -0.519 . . . . 2.12 110.54 178.644 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 588' ' ' LEU . . . . . 0.495 HD11 HD12 ' A' ' 583' ' ' ILE . 52.6 mt -93.72 135.63 34.83 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.992 -0.549 . . . . 0.28 110.004 178.391 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 28.3 tp -84.73 108.91 17.67 Favored 'General case' 0 C--N 1.313 -1.006 0 N-CA-C 109.126 -0.694 . . . . 0.38 109.126 175.623 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 590' ' ' ILE . . . . . 0.497 ' HB ' ' CB ' ' A' ' 576' ' ' TYR . 44.5 mt -97.56 115.97 38.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 108.444 -0.947 . . . . 0.17 108.444 179.092 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 591' ' ' ARG . . . . . 0.635 ' HA ' HG13 ' A' ' 573' ' ' VAL . 20.1 ptt180 -140.89 160.36 40.23 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.862 0.69 . . . . 3.0 112.862 -172.823 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 592' ' ' MET . . . . . 0.578 ' HG2' HG11 ' A' ' 573' ' ' VAL . 0.1 OUTLIER -63.39 135.03 56.7 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.399 -0.818 . . . . 0.33 110.384 -175.275 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 15.7 t -88.25 128.39 35.47 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.92 0.39 . . . . 1.04 110.568 178.039 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 7.1 m -98.63 -20.94 16.71 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.895 -0.593 . . . . 1.6 109.701 175.191 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -74.45 -34.39 63.17 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 115.533 -0.758 . . . . 2.94 111.121 -177.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -120.49 134.1 55.32 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.992 0.425 . . . . 0.93 110.714 176.506 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -90.5 -39.87 12.33 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.75 -0.659 . . . . 3.4 109.309 173.577 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -147.44 149.86 33.52 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.031 -0.986 . . . . 2.02 109.21 178.705 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 599' ' ' LEU . . . . . 0.433 HD22 HD12 ' A' ' 551' ' ' ILE . 94.0 mt -93.81 104.03 16.13 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.26 0.553 . . . . 1.02 110.334 179.677 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -98.67 89.81 4.5 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 115.474 -0.785 . . . . 2.87 109.91 -178.091 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 81.6 mt -65.55 157.56 29.4 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.287 -0.869 . . . . 1.47 110.178 -179.461 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 602' ' ' LYS . . . . . 0.413 ' HD2' ' N ' ' A' ' 602' ' ' LYS . 11.9 mptt -86.98 32.27 0.68 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.665 0.745 . . . . 5.4 110.741 -176.215 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 603' ' ' LYS . . . . . 0.485 ' O ' ' HA3' ' A' ' 510' ' ' GLY . 31.8 mmmt -104.65 115.23 63.06 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-N 114.752 -1.113 . . . . 5.81 108.506 175.047 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 604' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 603' ' ' LYS . 18.0 Cg_endo -57.43 -40.7 79.22 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 123.275 2.65 . . . . 6.24 113.269 -173.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 605' ' ' GLY . . . . . . . . . . . . . . . 61.73 -113.2 5.49 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 121.091 -0.576 . . . . 6.9 112.396 179.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . 0.466 ' H ' ' HB3' ' A' ' 511' ' ' ALA . 34.8 mmtp 70.45 -60.35 0.5 Allowed 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.647 0.779 . . . . 8.87 111.529 178.149 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -65.77 -28.04 68.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.135 0.493 . . . . 9.21 110.27 178.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 38.3 t -88.94 -75.01 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.573 -0.739 . . . . 9.63 109.912 176.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -96.9 113.11 24.63 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.761 -0.654 . . . . 9.47 110.071 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -76.62 137.58 39.56 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.71 -0.677 . . . . 9.11 110.573 178.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . 0.437 HD11 ' HB2' ' A' ' 511' ' ' ALA . 40.1 mm -61.76 96.35 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.8 -0.636 . . . . 8.31 110.767 177.039 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 612' ' ' ILE . . . . . . . . . . . . . 65.5 mt -113.74 101.2 12.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 109.283 -0.636 . . . . 8.86 109.283 176.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -96.4 -32.09 12.52 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.102 -0.499 . . . . 10.28 112.099 -173.308 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -79.57 -53.6 6.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.024 0.44 . . . . 10.41 110.671 -178.315 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 615' ' ' ILE . . . . . . . . . . . . . 38.9 mt -90.79 157.06 2.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.639 -0.71 . . . . 8.61 109.844 -177.051 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 616' ' ' HIS . . . . . 0.441 ' CD2' ' HA3' ' A' ' 517' ' ' GLY . 27.0 m170 -68.08 -76.41 0.09 Allowed 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 121.039 -0.264 . . . . 6.75 110.506 -179.474 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 47.0 m -157.11 6.58 0.16 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.49 -0.323 . . . . 6.99 111.036 175.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 618' ' ' GLN . . . . . 0.434 ' OE1' ' HB2' ' A' ' 616' ' ' HIS . 22.6 mp0 -64.11 -67.56 0.42 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.727 0.299 . . . . 9.26 110.876 -177.089 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 91.5 mtt180 -83.31 75.38 9.97 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.067 0.461 . . . . 12.9 109.977 179.343 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 620' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -70.73 145.21 50.63 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.72 -0.673 . . . . 11.34 110.254 179.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 621' ' ' ARG . . . . . 0.483 ' HE ' ' HA ' ' A' ' 621' ' ' ARG . 1.5 mmp_? . . . . . 0 C--O 1.247 0.943 0 CA-C-O 118.483 -0.77 . . . . 11.46 110.09 -177.301 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.736 0 N-CA-C 111.662 -0.575 . . . . 6.72 111.662 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . -133.73 123.98 25.87 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.841 0.353 . . . . 5.43 110.856 -179.118 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 66.3 mtt -103.75 -59.14 1.77 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.163 0.506 . . . . 6.23 109.706 176.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 513' ' ' ALA . . . . . 0.41 ' HB1' ' HB ' ' A' ' 548' ' ' THR . . . -157.57 -165.92 1.89 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.54 -0.755 . . . . 2.28 109.981 179.744 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 514' ' ' GLN . . . . . 0.436 ' H ' HG21 ' A' ' 548' ' ' THR . 49.1 mt-30 55.59 75.7 0.31 Allowed 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 121.392 0.615 . . . . 5.14 109.599 -177.574 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 34.7 mmt180 -70.22 -41.16 73.97 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.0 -1.0 . . . . 6.6 111.895 -170.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 50.9 mtpt -103.99 146.38 28.78 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.297 -0.41 . . . . 5.25 110.538 177.478 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -77.69 61.52 3.63 Favored Glycine 0 N--CA 1.452 -0.276 0 CA-C-N 115.947 -0.57 . . . . 3.29 112.681 -175.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 518' ' ' ALA . . . . . . . . . . . . . . . -158.76 -86.53 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.651 -0.5 . . . . 2.38 109.651 179.018 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 71.72 155.83 2.35 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 121.269 -0.491 . . . . 1.58 113.235 176.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 59.0 mtp180 -146.63 149.17 32.98 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.365 -0.606 . . . . 2.39 109.365 174.12 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 76.6 t -98.11 136.05 30.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 121.026 0.441 . . . . 0.44 110.056 178.099 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 522' ' ' VAL . . . . . 0.442 HG22 ' HE3' ' A' ' 592' ' ' MET . 48.1 t -101.61 134.05 43.19 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.047 0 N-CA-C 109.136 -0.69 . . . . 0.25 109.136 177.138 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 3.7 p-80 -111.26 139.58 46.53 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 120.545 -0.462 . . . . 1.75 109.801 -178.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 524' ' ' ILE . . . . . 0.521 HD12 HG13 ' A' ' 537' ' ' VAL . 90.2 mt -115.59 127.84 73.03 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.976 0 CA-C-N 115.775 -0.648 . . . . 0.28 110.178 -179.817 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 6.3 p -115.9 175.27 5.61 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.716 -0.675 . . . . 1.28 110.366 -178.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 40.2 m-80 69.17 27.97 5.08 Favored 'General case' 0 N--CA 1.466 0.367 0 O-C-N 123.707 0.629 . . . . 1.22 110.796 -178.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 527' ' ' LEU . . . . . 0.409 HD21 HD13 ' A' ' 588' ' ' LEU . 80.4 mt -86.71 122.15 71.72 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 115.997 -0.547 . . . . 0.6 111.437 -177.083 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 528' ' ' PRO . . . . . 0.43 ' HD2' ' SG ' ' A' ' 532' ' ' CYS . 40.9 Cg_endo -69.38 130.75 20.37 Favored 'Trans proline' 0 N--CA 1.46 -0.481 0 C-N-CA 122.195 1.93 . . . . 0.62 112.093 173.543 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 529' ' ' GLU . . . . . 0.458 ' HG3' ' ND2' ' A' ' 557' ' ' ASN . 35.9 mt-10 -68.62 125.59 27.01 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.047 -0.524 . . . . 2.98 111.028 176.657 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 92.32 -18.37 54.61 Favored Glycine 0 N--CA 1.45 -0.415 0 CA-C-N 116.02 -0.536 . . . . 0.94 113.619 174.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 17.4 m -94.84 -35.34 12.11 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 117.42 0.61 . . . . 1.17 111.329 -177.2 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 532' ' ' CYS . . . . . 0.43 ' SG ' ' HD2' ' A' ' 528' ' ' PRO . 84.5 m -86.03 133.3 33.91 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.727 0.299 . . . . 0.77 110.827 179.026 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 44.0 p -105.66 170.54 7.83 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 109.844 -0.428 . . . . 0.54 109.844 176.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -56.41 -46.62 80.09 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.892 0.377 . . . . 1.32 110.457 179.385 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -59.8 -44.06 94.16 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.646 -0.706 . . . . 1.95 111.622 -176.629 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 536' ' ' ASP . . . . . 0.578 ' O ' ' HG ' ' A' ' 540' ' ' LEU . 39.8 m-20 -60.05 -47.61 85.13 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-O 120.789 0.328 . . . . 0.52 110.967 -176.17 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 537' ' ' VAL . . . . . 0.521 HG13 HD12 ' A' ' 524' ' ' ILE . 60.1 t -66.56 -45.01 89.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.677 -0.692 . . . . 0.25 110.857 -176.225 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 85.6 mt -65.29 -41.97 92.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.156 -0.475 . . . . 0.24 110.67 179.101 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 539' ' ' ASN . . . . . 0.538 ' O ' ' HD3' ' A' ' 543' ' ' PRO . 8.5 m120 -62.57 -28.01 69.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.903 -0.59 . . . . 1.07 111.752 179.473 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 540' ' ' LEU . . . . . 0.578 ' HG ' ' O ' ' A' ' 536' ' ' ASP . 25.2 mt -68.31 -39.4 82.04 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 111.991 0.367 . . . . 0.36 111.991 -179.43 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -78.45 -35.13 33.88 Favored Glycine 0 N--CA 1.453 -0.197 0 C-N-CA 120.288 -0.958 . . . . 0.22 112.579 -177.253 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 542' ' ' LEU . . . . . . . . . . . . . 39.8 mt -50.36 -47.73 82.47 Favored Pre-proline 0 CA--C 1.548 0.882 0 N-CA-C 115.352 1.612 . . . . 0.25 115.352 -174.098 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 543' ' ' PRO . . . . . 0.538 ' HD3' ' O ' ' A' ' 539' ' ' ASN . 86.0 Cg_exo -51.11 -33.18 42.49 Favored 'Trans proline' 0 C--N 1.357 0.986 0 C-N-CA 122.463 2.109 . . . . 0.19 116.555 -168.671 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 59.4 m-85 -109.2 -18.27 13.66 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 118.878 0.763 . . . . 0.35 112.878 -179.164 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 545' ' ' GLY . . . . . 0.478 ' HA3' ' HE2' ' A' ' 572' ' ' MET . . . -125.04 -142.34 5.84 Favored Glycine 0 C--N 1.318 -0.443 0 C-N-CA 121.207 -0.52 . . . . 1.14 112.657 176.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 546' ' ' LYS . . . . . 0.423 ' O ' ' HA ' ' A' ' 563' ' ' MET . 56.0 tptt -152.77 129.85 11.12 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.624 -0.288 . . . . 1.56 110.475 174.106 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 95.4 t -91.61 135.01 28.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.978 -0.556 . . . . 0.25 111.706 -176.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 548' ' ' THR . . . . . 0.436 HG21 ' H ' ' A' ' 514' ' ' GLN . 27.6 p -108.91 -41.03 4.85 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.954 -0.566 . . . . 0.37 112.289 175.468 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 66.5 m-80 -148.0 166.33 28.04 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.767 -0.457 . . . . 1.43 109.767 -177.156 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 28.1 p90 -148.44 150.82 34.15 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.935 0.398 . . . . 0.47 111.408 -179.053 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 551' ' ' ILE . . . . . 0.483 HD12 HD22 ' A' ' 599' ' ' LEU . 29.1 mt -134.23 121.85 38.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 108.784 -0.821 . . . . 0.37 108.784 171.053 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 552' ' ' LEU . . . . . . . . . . . . . 79.8 mt -112.95 110.38 20.41 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.226 -0.443 . . . . 0.45 111.396 -175.434 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 65.2 mtt -107.37 83.22 1.78 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.598 0.713 . . . . 1.18 109.105 175.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -69.97 -29.66 66.83 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.102 -0.954 . . . . 1.45 110.735 -177.409 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 67.8 p -59.4 -27.13 65.73 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.204 -0.453 . . . . 1.11 111.37 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 556' ' ' THR . . . . . 0.481 ' O ' ' HG2' ' A' ' 558' ' ' GLN . 69.9 p -106.65 11.63 30.19 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.471 -0.331 . . . . 0.88 111.129 178.81 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 557' ' ' ASN . . . . . 0.458 ' ND2' ' HG3' ' A' ' 529' ' ' GLU . 15.8 m120 57.04 41.34 27.66 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 115.743 -0.662 . . . . 2.35 110.898 -177.542 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 558' ' ' GLN . . . . . 0.481 ' HG2' ' O ' ' A' ' 556' ' ' THR . 12.5 mm100 -137.1 157.05 47.57 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.168 0.509 . . . . 2.07 111.625 -172.367 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -143.67 145.6 32.57 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.976 -0.556 . . . . 0.27 110.647 176.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 560' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -128.41 128.29 44.19 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.847 -0.615 . . . . 0.33 109.418 178.149 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 14.2 tp -126.33 128.49 47.17 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.34 -0.391 . . . . 0.22 110.278 -173.547 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 562' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -99.87 138.0 37.56 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-O 120.735 0.303 . . . . 1.85 110.435 -175.172 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 563' ' ' MET . . . . . 0.423 ' HA ' ' O ' ' A' ' 546' ' ' LYS . 19.8 mmt -114.24 144.33 43.39 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.963 -0.562 . . . . 0.96 111.261 -174.571 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -64.42 -26.75 68.59 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-N 115.139 -0.937 . . . . 0.36 111.735 -177.408 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 565' ' ' TYR . . . . . 0.447 ' HB3' ' OE2' ' A' ' 567' ' ' GLU . 75.0 m-85 -132.41 138.49 47.69 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.547 -0.752 . . . . 1.27 109.095 -177.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 566' ' ' THR . . . . . 0.56 ' O ' ' HG3' ' A' ' 570' ' ' GLN . 7.1 t -66.03 -37.48 85.98 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.042 -0.526 . . . . 0.52 109.785 179.066 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 567' ' ' GLU . . . . . 0.447 ' OE2' ' HB3' ' A' ' 565' ' ' TYR . 1.4 pm0 -66.88 -33.02 74.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.115 -0.493 . . . . 1.91 110.643 176.3 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 568' ' ' ALA . . . . . 0.411 ' HB2' ' HB2' ' A' ' 565' ' ' TYR . . . -64.03 -42.49 97.06 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.089 0.471 . . . . 0.28 109.886 176.703 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -67.44 -45.76 75.1 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.667 -0.697 . . . . 0.19 111.029 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 570' ' ' GLN . . . . . 0.56 ' HG3' ' O ' ' A' ' 566' ' ' THR . 72.0 mt-30 -65.29 -45.61 83.72 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.306 -0.406 . . . . 1.21 110.789 -178.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -62.3 -45.58 92.6 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-N 116.029 -0.532 . . . . 0.31 111.617 -176.041 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 572' ' ' MET . . . . . 0.478 ' HE2' ' HA3' ' A' ' 545' ' ' GLY . 17.7 ptp -63.42 -42.78 98.72 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.067 0.461 . . . . 0.62 109.996 -178.726 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 573' ' ' VAL . . . . . 0.721 HG13 ' HA ' ' A' ' 591' ' ' ARG . 54.0 t -66.57 -35.95 76.1 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.763 0 CA-C-N 115.607 -0.724 . . . . 0.21 111.294 -178.05 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 574' ' ' GLN . . . . . 0.541 ' HG3' ' O ' ' A' ' 570' ' ' GLN . 29.2 mt-30 -58.57 -37.98 76.89 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.557 -0.534 . . . . 1.9 109.557 177.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 575' ' ' TYR . . . . . 0.473 ' HD2' ' CD2' ' A' ' 576' ' ' TYR . 89.7 t80 -69.55 -50.24 46.74 Favored 'General case' 0 C--O 1.221 -0.439 0 CA-C-N 116.051 -0.522 . . . . 0.52 111.201 173.462 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 576' ' ' TYR . . . . . 0.54 ' CB ' ' HB ' ' A' ' 590' ' ' ILE . 21.5 m-85 -73.67 -17.38 61.15 Favored 'General case' 0 N--CA 1.467 0.375 0 N-CA-C 112.729 0.64 . . . . 0.34 112.729 -171.692 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -77.23 -29.85 54.28 Favored 'General case' 0 C--N 1.318 -0.764 0 C-N-CA 120.577 -0.449 . . . . 1.84 110.913 174.506 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -96.76 -39.21 9.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.933 0.397 . . . . 2.07 111.094 179.282 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -130.47 78.06 74.85 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-N 115.925 -0.579 . . . . 2.07 109.862 178.695 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_exo -69.83 160.45 49.65 Favored 'Trans proline' 0 CA--C 1.532 0.399 0 C-N-CA 123.886 3.057 . . . . 0.19 113.249 -172.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 581' ' ' ALA . . . . . 0.477 ' HB1' HD22 ' A' ' 540' ' ' LEU . . . -93.27 153.3 18.66 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.819 -0.628 . . . . 0.2 111.064 -173.786 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 582' ' ' ILE . . . . . 0.444 HG12 ' HG2' ' A' ' 587' ' ' LYS . 57.2 mt -114.5 132.76 62.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.058 0.456 . . . . 0.54 112.223 -171.546 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 583' ' ' ILE . . . . . 0.415 HD12 HD11 ' A' ' 588' ' ' LEU . 30.5 mt -126.27 120.66 57.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 115.919 -0.582 . . . . 0.73 110.262 172.545 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 584' ' ' ASN . . . . . 0.509 HD22 ' N ' ' A' ' 584' ' ' ASN . 0.8 OUTLIER 59.29 35.13 23.24 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 116.125 -0.489 . . . . 1.46 111.302 177.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 83.13 3.34 90.34 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.802 -0.714 . . . . 0.67 113.027 178.151 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -107.47 127.01 53.22 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.922 0.391 . . . . 1.93 110.44 179.614 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 587' ' ' LYS . . . . . 0.444 ' HG2' HG12 ' A' ' 582' ' ' ILE . 52.9 mtmt -81.32 107.58 14.22 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.9 -0.591 . . . . 2.12 109.897 -179.018 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 588' ' ' LEU . . . . . 0.415 HD11 HD12 ' A' ' 583' ' ' ILE . 65.5 mt -86.89 129.98 34.65 Favored 'General case' 0 CA--C 1.507 -0.709 0 CA-C-N 115.887 -0.597 . . . . 0.28 110.594 -177.586 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 39.8 tp -83.5 109.14 17.13 Favored 'General case' 0 C--N 1.311 -1.072 0 N-CA-C 109.024 -0.732 . . . . 0.38 109.024 174.03 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 590' ' ' ILE . . . . . 0.54 ' HB ' ' CB ' ' A' ' 576' ' ' TYR . 44.9 mt -96.74 115.09 35.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 107.894 -1.15 . . . . 0.17 107.894 177.519 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 591' ' ' ARG . . . . . 0.721 ' HA ' HG13 ' A' ' 573' ' ' VAL . 8.1 ptp180 -146.02 165.69 28.28 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 112.668 0.618 . . . . 3.0 112.668 -174.592 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 592' ' ' MET . . . . . 0.599 ' HG2' HG11 ' A' ' 573' ' ' VAL . 0.1 OUTLIER -62.53 140.83 58.64 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.176 -0.92 . . . . 0.33 110.42 -175.555 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 86.0 p -83.26 128.88 34.87 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.641 -0.424 . . . . 1.04 110.086 176.114 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 6.8 p -95.56 31.89 1.92 Allowed 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.278 0.561 . . . . 1.6 110.095 175.018 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -137.47 -40.65 0.57 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.565 -0.743 . . . . 2.94 110.957 -176.298 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 83.3 m-85 -110.16 135.22 51.29 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.963 0.411 . . . . 0.93 111.521 -173.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 18.2 tppt? -90.3 -40.9 11.85 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.045 -0.724 . . . . 3.4 109.045 169.501 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -152.41 156.09 38.83 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.216 -0.902 . . . . 2.02 109.471 178.094 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 599' ' ' LEU . . . . . 0.483 HD22 HD12 ' A' ' 551' ' ' ILE . 97.1 mt -92.56 108.54 20.05 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.196 0.522 . . . . 1.02 110.588 -178.387 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -80.45 79.64 7.02 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.656 -0.702 . . . . 2.87 111.396 -175.019 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 68.8 mt -88.23 147.98 24.58 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.865 -0.607 . . . . 1.47 110.335 175.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 602' ' ' LYS . . . . . 0.434 ' HD2' ' HG3' ' A' ' 603' ' ' LYS . 0.0 OUTLIER -95.7 5.53 51.19 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.61 0.719 . . . . 5.4 109.226 172.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 603' ' ' LYS . . . . . 0.434 ' HG3' ' HD2' ' A' ' 602' ' ' LYS . 28.6 mtpp -120.53 116.21 32.1 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 114.777 -1.102 . . . . 5.81 109.376 174.014 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 604' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_exo -59.36 103.95 0.2 Allowed 'Trans proline' 0 C--O 1.234 0.301 0 C-N-CA 122.238 1.958 . . . . 6.24 111.07 174.178 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 605' ' ' GLY . . . . . . . . . . . . . . . -56.14 -53.76 40.35 Favored Glycine 0 C--N 1.335 0.481 0 CA-C-N 115.21 -0.904 . . . . 6.9 113.846 -174.196 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -125.1 91.58 3.46 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 117.18 0.49 . . . . 8.87 110.461 -179.514 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 607' ' ' ASN . . . . . 0.595 ' HA ' ' NH2' ' A' ' 621' ' ' ARG . 49.0 t30 -119.16 -159.43 0.77 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.056 -0.52 . . . . 9.21 110.351 -176.583 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 57.6 t 67.52 -82.8 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.298 0 C-N-CA 123.076 0.55 . . . . 9.63 110.867 -178.209 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -130.76 3.24 4.49 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-O 120.593 0.235 . . . . 9.47 110.618 178.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . 63.91 174.32 0.18 Allowed 'General case' 0 C--O 1.233 0.2 0 CA-C-N 115.676 -0.693 . . . . 9.11 110.581 -175.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . 0.434 HG22 ' HG2' ' A' ' 613' ' ' GLN . 52.7 mt -103.64 98.23 6.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 N-CA-C 109.207 -0.664 . . . . 8.31 109.207 174.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 612' ' ' ILE . . . . . . . . . . . . . 54.9 mt -95.73 89.58 2.31 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 115.536 -0.756 . . . . 8.86 110.84 -173.074 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 613' ' ' GLN . . . . . 0.434 ' HG2' HG22 ' A' ' 611' ' ' ILE . 11.9 mm100 -104.01 -37.34 7.41 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.289 0.566 . . . . 10.28 110.009 177.027 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -143.18 98.16 3.22 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-O 121.68 0.752 . . . . 10.41 109.188 177.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 615' ' ' ILE . . . . . . . . . . . . . 49.8 mt -59.74 136.99 22.78 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.415 0 CA-C-N 114.103 -1.408 . . . . 8.61 111.255 -178.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 54.8 m80 -133.04 133.64 43.33 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.797 -0.638 . . . . 6.75 110.068 177.368 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 18.2 m 59.93 26.52 15.78 Favored 'General case' 0 CA--C 1.533 0.311 0 O-C-N 123.767 0.667 . . . . 6.99 111.818 178.326 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 618' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 64.34 5.73 2.71 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 113.101 0.778 . . . . 9.26 113.101 175.615 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 35.3 mmt180 -87.05 71.31 10.23 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.381 0.61 . . . . 12.9 111.244 -177.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 620' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -102.92 45.89 0.94 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.345 -0.843 . . . . 11.34 110.275 -179.667 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 621' ' ' ARG . . . . . 0.595 ' NH2' ' HA ' ' A' ' 607' ' ' ASN . 12.5 mmt180 . . . . . 0 C--O 1.249 1.03 0 CA-C-N 115.075 -0.966 . . . . 11.46 110.964 -176.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.681 0 N-CA-C 111.591 -0.604 . . . . 6.72 111.591 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . -129.86 -7.79 4.48 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.887 0.343 . . . . 5.43 111.402 -178.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 512' ' ' MET . . . . . 0.543 ' O ' ' HB ' ' A' ' 548' ' ' THR . 94.8 mmm -91.0 66.85 5.91 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.1 0.476 . . . . 6.23 111.182 -177.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 513' ' ' ALA . . . . . 0.448 ' HA ' ' HB ' ' A' ' 548' ' ' THR . . . -81.04 93.54 6.4 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.263 -0.643 . . . . 2.28 109.263 174.688 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 514' ' ' GLN . . . . . 0.526 ' HB3' ' CG ' ' A' ' 516' ' ' LYS . 86.4 mm-40 -49.16 -53.99 18.44 Favored 'General case' 0 CA--C 1.506 -0.723 0 CA-C-N 114.238 -1.346 . . . . 5.14 112.653 -175.182 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 515' ' ' ARG . . . . . 0.422 ' HB2' ' O ' ' A' ' 514' ' ' GLN . 51.9 mtt85 69.6 -67.51 0.22 Allowed 'General case' 0 N--CA 1.454 -0.236 0 O-C-N 124.231 0.957 . . . . 6.6 108.845 -170.103 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 516' ' ' LYS . . . . . 0.526 ' CG ' ' HB3' ' A' ' 514' ' ' GLN . 33.4 mmtp 39.1 45.93 1.11 Allowed 'General case' 0 N--CA 1.475 0.776 0 O-C-N 124.127 0.892 . . . . 5.25 113.364 166.589 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 517' ' ' GLY . . . . . 0.442 ' HA2' ' O ' ' A' ' 616' ' ' HIS . . . 136.97 -41.74 1.38 Allowed Glycine 0 N--CA 1.434 -1.481 0 C-N-CA 119.681 -1.247 . . . . 3.29 110.887 -173.202 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 518' ' ' ALA . . . . . 0.545 ' HB3' ' HB ' ' A' ' 566' ' ' THR . . . -173.67 -49.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.385 -0.407 . . . . 2.38 111.192 178.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 62.94 94.71 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 119.831 -1.176 . . . . 1.58 110.373 -165.356 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 57.8 mtp180 -121.34 145.19 48.14 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.863 0.364 . . . . 2.39 110.507 -177.371 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 521' ' ' VAL . . . . . 0.487 HG22 ' HG ' ' A' ' 599' ' ' LEU . 59.5 t -94.67 134.9 30.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.658 -0.701 . . . . 0.44 111.814 -173.611 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 522' ' ' VAL . . . . . 0.446 HG22 ' HE3' ' A' ' 592' ' ' MET . 93.4 t -105.19 134.14 47.47 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-N 115.099 -0.955 . . . . 0.25 109.414 172.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 7.2 p-80 -106.67 136.13 47.01 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.614 -0.513 . . . . 1.75 109.614 179.355 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 524' ' ' ILE . . . . . 0.532 HD12 HG13 ' A' ' 537' ' ' VAL . 77.6 mt -109.65 127.68 66.27 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.987 0 CA-C-N 116.131 -0.486 . . . . 0.28 109.976 178.525 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 8.3 p -120.73 171.65 8.44 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.715 -0.675 . . . . 1.28 110.906 -175.089 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 67.79 33.94 4.59 Favored 'General case' 0 N--CA 1.464 0.239 0 O-C-N 123.915 0.759 . . . . 1.22 110.277 -177.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 84.0 mt -88.01 120.36 70.7 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-N 115.871 -0.604 . . . . 0.6 111.301 -176.629 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 528' ' ' PRO . . . . . 0.512 ' HD2' ' SG ' ' A' ' 532' ' ' CYS . 35.8 Cg_endo -68.58 131.96 24.18 Favored 'Trans proline' 0 C--O 1.237 0.462 0 C-N-CA 122.361 2.041 . . . . 0.62 111.97 172.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -68.86 131.0 44.41 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.003 -0.544 . . . . 2.98 111.295 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 83.78 -18.7 19.2 Favored Glycine 0 N--CA 1.45 -0.392 0 CA-C-N 116.084 -0.507 . . . . 0.94 113.41 175.713 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 531' ' ' SER . . . . . 0.405 ' HB3' ' ND2' ' A' ' 584' ' ' ASN . 12.9 m -92.14 -36.21 13.43 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.99 0.395 . . . . 1.17 110.907 -178.459 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 532' ' ' CYS . . . . . 0.512 ' SG ' ' HD2' ' A' ' 528' ' ' PRO . 67.0 m -86.31 129.55 34.81 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.309 -0.405 . . . . 0.77 110.358 178.485 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 29.5 p -104.19 167.32 9.83 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.744 -0.465 . . . . 0.54 109.744 -178.569 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -59.76 -44.4 93.87 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.558 -0.534 . . . . 1.32 109.558 178.274 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 49.5 m-80 -61.86 -44.19 97.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.427 -0.806 . . . . 1.95 111.623 -177.164 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 536' ' ' ASP . . . . . 0.54 ' O ' ' HG ' ' A' ' 540' ' ' LEU . 34.4 m-20 -66.72 -44.62 81.13 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 120.56 0.219 . . . . 0.52 111.506 -175.45 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 537' ' ' VAL . . . . . 0.532 HG13 HD12 ' A' ' 524' ' ' ILE . 94.7 t -61.68 -41.92 92.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.002 0.429 . . . . 0.25 110.394 -178.131 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 86.1 mt -67.3 -40.95 85.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.89 -0.596 . . . . 0.24 110.659 177.061 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 539' ' ' ASN . . . . . 0.505 ' O ' ' HD3' ' A' ' 543' ' ' PRO . 6.2 m120 -61.96 -30.56 71.01 Favored 'General case' 0 C--O 1.224 -0.251 0 CA-C-N 115.929 -0.578 . . . . 1.07 111.884 -178.093 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 540' ' ' LEU . . . . . 0.54 ' HG ' ' O ' ' A' ' 536' ' ' ASP . 41.3 mt -69.42 -39.04 78.13 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 111.667 0.247 . . . . 0.36 111.667 -176.844 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -76.37 -36.8 38.08 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.475 -0.869 . . . . 0.22 112.425 -177.662 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 542' ' ' LEU . . . . . 0.525 ' HA ' ' O ' ' A' ' 545' ' ' GLY . 82.3 mt -48.04 -47.32 65.12 Favored Pre-proline 0 CA--C 1.545 0.776 0 N-CA-C 114.92 1.452 . . . . 0.25 114.92 -173.584 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 543' ' ' PRO . . . . . 0.505 ' HD3' ' O ' ' A' ' 539' ' ' ASN . 65.1 Cg_exo -49.08 -34.71 30.79 Favored 'Trans proline' 0 C--N 1.357 0.995 0 C-N-CA 122.346 2.03 . . . . 0.19 115.579 -171.653 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 544' ' ' PHE . . . . . 0.457 ' HB2' ' CB ' ' A' ' 572' ' ' MET . 87.0 m-85 -110.43 -17.52 13.44 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.141 -0.624 . . . . 0.35 112.677 178.43 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 545' ' ' GLY . . . . . 0.525 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . -149.84 138.96 7.07 Favored Glycine 0 C--O 1.226 -0.401 0 C-N-CA 120.754 -0.736 . . . . 1.14 112.984 177.086 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 546' ' ' LYS . . . . . 0.477 ' O ' ' HA ' ' A' ' 563' ' ' MET . 23.3 tptm -77.17 143.83 38.8 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.85 0.357 . . . . 1.56 111.379 -178.645 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 547' ' ' VAL . . . . . 0.567 ' HA ' ' O ' ' A' ' 562' ' ' GLU . 99.5 t -98.71 136.31 30.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.407 -0.815 . . . . 0.25 110.646 179.116 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 548' ' ' THR . . . . . 0.543 ' HB ' ' O ' ' A' ' 512' ' ' MET . 47.5 p -102.89 -38.21 7.49 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.016 0.436 . . . . 0.37 110.56 178.65 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -159.72 167.66 27.79 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 108.968 -0.752 . . . . 1.43 108.968 178.376 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 39.4 p90 -142.53 151.61 41.79 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.679 -0.408 . . . . 0.47 111.569 -178.352 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 551' ' ' ILE . . . . . 0.467 HD12 HD22 ' A' ' 599' ' ' LEU . 54.9 mt -127.3 122.73 60.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 108.999 -0.741 . . . . 0.37 108.999 173.067 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 552' ' ' LEU . . . . . . . . . . . . . 41.7 mt -112.05 111.65 22.72 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 116.128 -0.487 . . . . 0.45 111.43 -175.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 67.0 mtt -108.52 86.21 2.25 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.505 0.669 . . . . 1.18 110.187 177.306 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -67.31 -30.19 69.97 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.155 -0.93 . . . . 1.45 110.308 -179.306 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 59.5 p -63.57 -27.44 69.25 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.66 -0.7 . . . . 1.11 111.907 -179.581 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 76.0 p -104.21 8.53 36.21 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.836 -0.346 . . . . 0.88 111.057 178.635 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 12.3 m120 57.24 42.21 25.66 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 115.747 -0.66 . . . . 2.35 110.889 -179.287 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -142.31 153.81 44.17 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.888 0.375 . . . . 2.07 110.977 -174.217 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -130.49 142.97 50.48 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.108 -0.496 . . . . 0.27 110.125 176.074 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 560' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -126.87 128.37 46.4 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.916 0.388 . . . . 0.33 109.991 -179.091 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 561' ' ' LEU . . . . . 0.562 ' HB3' ' HE1' ' A' ' 563' ' ' MET . 15.2 tp -125.51 134.85 51.87 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.869 -0.605 . . . . 0.22 109.888 -173.055 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 562' ' ' GLU . . . . . 0.577 ' HB2' HD12 ' A' ' 599' ' ' LEU . 10.7 tp10 -101.01 137.87 38.82 Favored 'General case' 0 N--CA 1.465 0.298 0 O-C-N 123.077 0.235 . . . . 1.85 111.026 -176.207 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 563' ' ' MET . . . . . 0.661 ' HE2' ' SD ' ' A' ' 572' ' ' MET . 0.8 OUTLIER -113.82 139.35 49.22 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.943 0.877 . . . . 0.96 111.998 -175.916 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -62.7 -31.84 72.82 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-N 114.295 -1.321 . . . . 0.36 112.691 -173.582 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -130.18 154.63 47.34 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.423 -0.353 . . . . 1.27 110.106 -179.142 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 566' ' ' THR . . . . . 0.545 ' HB ' ' HB3' ' A' ' 518' ' ' ALA . 9.3 t -61.98 -37.11 83.57 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.131 0.491 . . . . 0.52 110.251 176.641 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -66.57 -34.55 78.16 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.773 -0.649 . . . . 1.91 110.687 177.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 568' ' ' ALA . . . . . 0.47 ' HB1' ' CA ' ' A' ' 545' ' ' GLY . . . -62.4 -46.11 90.09 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.905 -0.588 . . . . 0.28 110.858 -178.065 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . 0.43 ' HB2' ' HB2' ' A' ' 563' ' ' MET . . . -68.28 -47.28 68.11 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.951 -0.568 . . . . 0.19 111.647 -178.216 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 570' ' ' GLN . . . . . 0.554 ' O ' ' HG3' ' A' ' 574' ' ' GLN . 48.3 mt-30 -69.76 -46.28 66.17 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.3 -0.409 . . . . 1.21 111.516 -176.144 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -62.0 -41.11 97.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.353 -0.385 . . . . 0.31 111.548 -174.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 572' ' ' MET . . . . . 0.661 ' SD ' ' HE2' ' A' ' 563' ' ' MET . 15.4 ptp -66.43 -46.24 77.13 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.836 -0.345 . . . . 0.62 110.808 -177.214 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 573' ' ' VAL . . . . . 0.582 HG11 ' HG2' ' A' ' 592' ' ' MET . 90.5 t -66.81 -36.9 78.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.337 -0.392 . . . . 0.21 111.412 -175.047 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 574' ' ' GLN . . . . . 0.554 ' HG3' ' O ' ' A' ' 570' ' ' GLN . 27.4 mt-30 -59.42 -37.32 77.74 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.653 -0.499 . . . . 1.9 109.653 178.128 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 72.5 t80 -69.78 -49.89 48.51 Favored 'General case' 0 C--O 1.222 -0.395 0 CA-C-N 116.062 -0.517 . . . . 0.52 110.955 172.615 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 576' ' ' TYR . . . . . 0.496 ' CE1' ' HB2' ' A' ' 572' ' ' MET . 21.2 m-85 -71.99 -16.54 62.07 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 112.691 0.626 . . . . 0.34 112.691 -172.652 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -76.68 -30.8 56.89 Favored 'General case' 0 C--N 1.318 -0.797 0 C-N-CA 120.562 -0.455 . . . . 1.84 110.438 174.259 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -95.86 -39.73 9.67 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.007 -0.542 . . . . 2.07 110.669 -178.583 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -129.97 78.78 74.33 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 115.74 -0.664 . . . . 2.07 109.554 176.234 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -68.16 159.63 52.31 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 123.381 2.721 . . . . 0.19 112.596 -174.524 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 581' ' ' ALA . . . . . 0.454 ' HB1' HD22 ' A' ' 540' ' ' LEU . . . -91.88 152.88 19.88 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.007 -0.542 . . . . 0.2 110.487 -173.217 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 582' ' ' ILE . . . . . 0.46 HG12 ' HG2' ' A' ' 587' ' ' LYS . 57.2 mt -114.55 127.81 71.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 121.143 0.497 . . . . 0.54 112.334 -169.603 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 583' ' ' ILE . . . . . 0.435 HD12 HD11 ' A' ' 588' ' ' LEU . 36.9 mt -122.45 124.99 72.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.739 -0.664 . . . . 0.73 109.938 171.312 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 584' ' ' ASN . . . . . 0.405 ' ND2' ' HB3' ' A' ' 531' ' ' SER . 4.8 m-20 59.3 33.91 22.73 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.213 -0.449 . . . . 1.46 111.562 178.791 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 80.74 3.9 90.33 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.988 -0.625 . . . . 0.67 112.456 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -106.84 127.45 53.42 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.87 0.367 . . . . 1.93 110.774 -178.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 587' ' ' LYS . . . . . 0.46 ' HG2' HG12 ' A' ' 582' ' ' ILE . 30.4 mtpp -80.35 109.6 15.0 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.183 -0.462 . . . . 2.12 109.989 179.331 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 588' ' ' LEU . . . . . 0.435 HD11 HD12 ' A' ' 583' ' ' ILE . 69.4 mt -86.14 127.45 34.71 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.926 -0.579 . . . . 0.28 110.301 179.604 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 589' ' ' LEU . . . . . 0.434 ' HG ' ' HG3' ' A' ' 591' ' ' ARG . 26.4 tp -83.6 109.31 17.31 Favored 'General case' 0 N--CA 1.438 -1.052 0 N-CA-C 108.714 -0.847 . . . . 0.38 108.714 176.209 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 590' ' ' ILE . . . . . 0.412 ' O ' HG13 ' A' ' 573' ' ' VAL . 52.5 mt -95.36 116.6 37.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 108.519 -0.919 . . . . 0.17 108.519 -179.823 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 591' ' ' ARG . . . . . 0.434 ' HG3' ' HG ' ' A' ' 589' ' ' LEU . 29.1 mtp85 -129.78 157.69 41.48 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 113.014 0.746 . . . . 3.0 113.014 -170.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 592' ' ' MET . . . . . 0.582 ' HG2' HG11 ' A' ' 573' ' ' VAL . 0.1 OUTLIER -66.63 135.39 54.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.278 -0.873 . . . . 0.33 110.02 179.283 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 43.2 t -87.63 126.14 34.78 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.932 -0.307 . . . . 1.04 110.269 176.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 12.6 t -99.53 -15.36 18.67 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.149 0.5 . . . . 1.6 109.78 172.357 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 70.5 mtp180 -76.82 -39.14 52.39 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.823 -0.626 . . . . 2.94 110.643 -179.274 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -110.29 132.93 53.74 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.933 -0.395 . . . . 0.93 109.933 177.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -91.69 -26.04 18.83 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.148 -0.478 . . . . 3.4 109.745 172.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -159.98 143.65 14.21 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 108.806 -0.813 . . . . 2.02 108.806 -174.67 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 599' ' ' LEU . . . . . 0.577 HD12 ' HB2' ' A' ' 562' ' ' GLU . 42.8 mt -86.69 121.98 29.95 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.86 -0.422 . . . . 1.02 109.86 175.532 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 27.6 mm-40 -122.62 107.23 11.73 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 121.009 0.433 . . . . 2.87 110.518 177.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 62.9 mt -79.11 -167.63 1.22 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.506 -0.77 . . . . 1.47 109.236 175.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 46.9 mmtm -53.0 -37.15 61.19 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.019 -0.734 . . . . 5.4 109.019 169.265 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -87.71 120.69 71.04 Favored Pre-proline 0 N--CA 1.449 -0.479 0 CA-C-N 115.054 -0.976 . . . . 5.81 109.271 172.233 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 604' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -76.57 35.52 0.47 Allowed 'Trans proline' 0 CA--C 1.531 0.358 0 C-N-CA 122.825 2.35 . . . . 6.24 113.288 -176.605 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 605' ' ' GLY . . . . . . . . . . . . . . . 59.9 54.8 34.46 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.99 -0.624 . . . . 6.9 111.583 -177.403 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp 65.37 -79.56 0.03 OUTLIER 'General case' 0 C--O 1.231 0.108 0 C-N-CA 123.233 0.613 . . . . 8.87 111.148 -175.554 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 31.1 t-20 52.7 45.52 28.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.639 0.733 . . . . 9.21 109.684 -177.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 48.7 t -83.57 -52.63 12.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.509 -0.769 . . . . 9.63 109.007 178.076 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -151.08 158.28 43.85 Favored 'General case' 0 N--CA 1.438 -1.07 0 CA-C-N 114.875 -1.057 . . . . 9.47 108.851 177.222 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -61.87 123.77 18.92 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.178 -0.464 . . . . 9.11 110.167 176.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 61.2 mt -78.98 75.27 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.645 0.736 . . . . 8.31 109.929 -177.322 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 612' ' ' ILE . . . . . . . . . . . . . 46.4 mt -88.9 60.91 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.638 0 CA-C-O 121.774 0.797 . . . . 8.86 110.554 -176.383 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -90.53 -12.71 36.35 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 107.589 -1.263 . . . . 10.28 107.589 170.187 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 18.6 t70 177.2 119.52 0.03 OUTLIER 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 113.317 -1.765 . . . . 10.41 106.609 174.121 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 615' ' ' ILE . . . . . . . . . . . . . 66.2 mt -38.46 -60.58 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.928 0 O-C-N 124.876 1.36 . . . . 8.61 113.043 -170.041 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 616' ' ' HIS . . . . . 0.442 ' O ' ' HA2' ' A' ' 517' ' ' GLY . 51.5 m80 52.99 51.49 15.73 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 120.713 0.292 . . . . 6.75 110.946 -178.473 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 13.8 t 71.53 -14.83 0.46 Allowed 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 115.933 -0.576 . . . . 6.99 112.109 177.709 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 618' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -76.28 85.24 3.07 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.086 -0.709 . . . . 9.26 109.086 175.678 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 93.5 mtt180 -76.57 69.03 2.94 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.795 -0.638 . . . . 12.9 111.615 -171.709 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 620' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 54.67 70.32 0.63 Allowed 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.505 -0.77 . . . . 11.34 111.393 176.123 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 14.9 ptm180 . . . . . 0 C--O 1.248 0.976 0 CA-C-O 118.162 -0.923 . . . . 11.46 110.375 179.602 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.622 0 N-CA-C 111.942 -0.463 . . . . 6.72 111.942 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . 66.07 -1.71 1.1 Allowed 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 123.306 0.642 . . . . 5.43 112.292 178.602 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 21.3 mmt 67.32 178.35 0.23 Allowed 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 123.181 0.592 . . . . 6.23 110.873 -179.575 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 513' ' ' ALA . . . . . 0.462 ' HA ' ' ND2' ' A' ' 549' ' ' ASN . . . -179.15 -158.02 0.03 OUTLIER 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.548 -0.296 . . . . 2.28 110.668 179.741 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 514' ' ' GLN . . . . . 0.419 ' H ' ' NE2' ' A' ' 514' ' ' GLN . 1.6 mp0 -58.48 -20.5 45.98 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 121.305 0.574 . . . . 5.14 110.571 -178.84 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 63.0 mtt180 -47.12 -30.15 2.64 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 114.622 -1.172 . . . . 6.6 112.508 -179.736 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 516' ' ' LYS . . . . . 0.446 ' O ' ' HB3' ' A' ' 616' ' ' HIS . 34.8 mmtp -52.43 -30.37 29.15 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.677 -0.692 . . . . 5.25 112.325 177.671 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . 172.83 -76.89 0.09 OUTLIER Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.405 -0.902 . . . . 3.29 112.312 179.742 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 518' ' ' ALA . . . . . . . . . . . . . . . -107.56 -64.19 1.23 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.373 0.13 . . . . 2.38 110.895 -178.649 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 519' ' ' GLY . . . . . 0.488 ' HA2' ' O ' ' A' ' 563' ' ' MET . . . 80.38 109.23 0.28 Allowed Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.527 -0.844 . . . . 1.58 112.556 -177.411 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 520' ' ' ARG . . . . . 0.555 ' HA ' ' O ' ' A' ' 597' ' ' LYS . 67.6 mtp180 -143.07 143.14 31.74 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.965 -0.384 . . . . 2.39 109.965 177.925 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 521' ' ' VAL . . . . . 0.425 HG23 ' HA ' ' A' ' 598' ' ' GLU . 90.2 t -94.86 134.74 31.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 121.735 0.779 . . . . 0.44 111.999 -174.918 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 522' ' ' VAL . . . . . . . . . . . . . 88.0 t -104.63 136.47 38.02 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 114.496 -1.229 . . . . 0.25 109.048 171.695 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 4.6 p-80 -104.26 137.51 42.07 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.594 -0.521 . . . . 1.75 109.594 -177.652 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 524' ' ' ILE . . . . . 0.51 HD12 HG13 ' A' ' 537' ' ' VAL . 78.9 mt -117.11 126.96 74.77 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.898 0 CA-C-N 115.913 -0.585 . . . . 0.28 109.976 178.768 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 525' ' ' CYS . . . . . 0.404 ' SG ' ' HB3' ' A' ' 589' ' ' LEU . 7.7 p -122.25 174.84 6.73 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.637 -0.71 . . . . 1.28 110.79 -174.728 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 66.08 26.8 10.68 Favored 'General case' 0 N--CA 1.466 0.355 0 O-C-N 123.679 0.612 . . . . 1.22 110.879 -178.669 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 81.0 mt -78.2 121.28 83.68 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 116.086 -0.506 . . . . 0.6 111.166 -176.754 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 528' ' ' PRO . . . . . 0.4 ' HG2' ' HB2' ' A' ' 531' ' ' SER . 29.8 Cg_endo -67.41 131.37 24.59 Favored 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 121.998 1.798 . . . . 0.62 111.873 176.473 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -69.13 132.13 46.08 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.567 -0.742 . . . . 2.98 111.434 -179.069 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 80.37 -18.54 8.22 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 121.186 -0.531 . . . . 0.94 113.273 176.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 531' ' ' SER . . . . . 0.4 ' HB2' ' HG2' ' A' ' 528' ' ' PRO . 3.8 m -86.88 -34.54 19.4 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.018 0.437 . . . . 1.17 110.689 -178.693 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 35.5 m -85.81 130.0 34.67 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.93 -0.577 . . . . 0.77 111.364 -176.057 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 69.2 p -105.93 170.73 7.73 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.906 -0.776 . . . . 0.54 108.906 171.862 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -56.17 -43.73 78.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.022 0.439 . . . . 1.32 110.187 179.73 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -59.51 -43.59 93.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.413 -0.812 . . . . 1.95 112.174 -176.546 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 536' ' ' ASP . . . . . 0.72 ' O ' ' HG ' ' A' ' 540' ' ' LEU . 42.3 m-20 -61.55 -48.12 82.44 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-O 120.884 0.373 . . . . 0.52 110.917 -174.998 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 537' ' ' VAL . . . . . 0.51 HG13 HD12 ' A' ' 524' ' ' ILE . 80.0 t -63.91 -43.99 97.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.8 -0.636 . . . . 0.25 110.827 -176.329 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 87.9 mt -67.04 -46.04 85.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.142 0.496 . . . . 0.24 110.673 179.222 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 539' ' ' ASN . . . . . 0.513 ' O ' ' HD3' ' A' ' 543' ' ' PRO . 6.2 m-20 -63.28 -27.01 69.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.582 -0.735 . . . . 1.07 112.519 -177.22 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 540' ' ' LEU . . . . . 0.72 ' HG ' ' O ' ' A' ' 536' ' ' ASP . 46.0 mt -71.19 -39.16 71.97 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.936 -0.305 . . . . 0.36 111.648 178.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -79.46 -35.42 29.39 Favored Glycine 0 CA--C 1.516 0.149 0 C-N-CA 120.496 -0.859 . . . . 0.22 112.352 -178.255 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 542' ' ' LEU . . . . . 0.464 ' HA ' ' O ' ' A' ' 545' ' ' GLY . 29.3 mt -47.89 -46.84 63.87 Favored Pre-proline 0 CA--C 1.544 0.72 0 N-CA-C 115.184 1.549 . . . . 0.25 115.184 -175.899 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 543' ' ' PRO . . . . . 0.513 ' HD3' ' O ' ' A' ' 539' ' ' ASN . 64.1 Cg_exo -49.09 -34.09 28.98 Favored 'Trans proline' 0 C--N 1.357 0.993 0 C-N-CA 122.323 2.015 . . . . 0.19 115.632 -171.219 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -110.0 -17.52 13.58 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.9 0.704 . . . . 0.35 112.9 179.888 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 545' ' ' GLY . . . . . 0.464 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . -149.53 143.39 10.76 Favored Glycine 0 CA--C 1.519 0.308 0 C-N-CA 120.921 -0.657 . . . . 1.14 112.537 176.193 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 24.0 tptm -76.32 137.77 40.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.258 0.551 . . . . 1.56 111.458 -177.603 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 91.1 t -97.24 137.68 24.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.203 -0.908 . . . . 0.25 110.796 179.639 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 548' ' ' THR . . . . . 0.466 ' OG1' ' HG3' ' A' ' 562' ' ' GLU . 54.9 p -107.98 -39.69 5.45 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.824 0.345 . . . . 0.37 111.089 176.247 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 549' ' ' ASN . . . . . 0.462 ' ND2' ' HA ' ' A' ' 513' ' ' ALA . 33.3 m-80 -146.88 166.93 25.23 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 110.221 -0.288 . . . . 1.43 110.221 -173.35 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 52.6 p90 -149.92 150.65 32.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.98 0.419 . . . . 0.47 111.442 178.019 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 551' ' ' ILE . . . . . 0.42 ' CD1' HD22 ' A' ' 599' ' ' LEU . 25.7 mt -128.66 123.2 58.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 108.617 -0.883 . . . . 0.37 108.617 170.45 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 552' ' ' LEU . . . . . . . . . . . . . 86.8 mt -111.98 113.2 25.36 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.409 -0.36 . . . . 0.45 111.522 -175.234 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 26.2 mmt -108.11 84.94 2.03 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.409 -0.589 . . . . 1.18 109.409 173.414 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -68.51 -32.63 72.73 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.466 -0.788 . . . . 1.45 111.379 -175.129 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 64.2 p -65.48 -22.73 66.77 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.176 -0.465 . . . . 1.11 111.706 -178.464 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 556' ' ' THR . . . . . 0.496 ' O ' ' HG2' ' A' ' 558' ' ' GLN . 69.2 p -107.59 4.91 26.47 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.529 -0.305 . . . . 0.88 111.499 -179.884 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 16.3 m120 56.72 41.93 27.55 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 115.826 -0.625 . . . . 2.35 111.088 -177.629 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 558' ' ' GLN . . . . . 0.496 ' HG2' ' O ' ' A' ' 556' ' ' THR . 20.8 mm-40 -139.76 148.57 42.44 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.313 -0.403 . . . . 2.07 110.275 -175.147 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -140.31 145.36 37.12 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.997 0.427 . . . . 0.27 110.855 179.144 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 560' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -122.06 126.14 47.8 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.547 -0.751 . . . . 0.33 109.181 178.06 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 561' ' ' LEU . . . . . 0.491 ' HB3' ' HE1' ' A' ' 563' ' ' MET . 15.5 tp -121.13 132.82 55.09 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 116.1 -0.5 . . . . 0.22 109.681 -173.479 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 562' ' ' GLU . . . . . 0.467 ' HB2' HD12 ' A' ' 599' ' ' LEU . 10.7 tp10 -101.82 134.48 44.92 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.825 0.345 . . . . 1.85 111.07 -174.932 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 563' ' ' MET . . . . . 0.598 ' HE2' ' SD ' ' A' ' 572' ' ' MET . 0.4 OUTLIER -112.47 144.84 41.25 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.704 0.764 . . . . 0.96 111.498 -174.779 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -65.36 -28.6 69.39 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 114.751 -1.113 . . . . 0.36 112.171 -175.703 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 34.6 m-85 -136.59 146.35 45.98 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.902 -0.407 . . . . 1.27 109.902 -175.022 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 5.7 t -61.05 -38.59 86.71 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.166 -0.47 . . . . 0.52 110.167 176.5 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -66.47 -36.0 81.66 Favored 'General case' 0 C--O 1.226 -0.153 0 CA-C-N 116.189 -0.46 . . . . 1.91 110.805 177.891 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 568' ' ' ALA . . . . . . . . . . . . . . . -63.09 -45.9 89.89 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.273 -0.421 . . . . 0.28 110.76 179.569 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . 0.464 ' O ' ' HG2' ' A' ' 572' ' ' MET . . . -67.73 -46.89 70.85 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.881 -0.6 . . . . 0.19 111.625 -177.302 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 570' ' ' GLN . . . . . 0.595 ' O ' ' HG2' ' A' ' 574' ' ' GLN . 10.8 pt20 -69.08 -44.18 73.08 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.306 -0.406 . . . . 1.21 111.133 -176.722 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -62.15 -40.71 96.89 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.386 -0.37 . . . . 0.31 111.526 -177.438 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 572' ' ' MET . . . . . 0.598 ' SD ' ' HE2' ' A' ' 563' ' ' MET . 13.1 ptp -65.83 -44.44 85.56 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 110.026 -0.361 . . . . 0.62 110.026 -179.55 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 573' ' ' VAL . . . . . 0.689 HG13 ' HA ' ' A' ' 591' ' ' ARG . 78.7 t -66.49 -36.3 76.98 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.603 0 CA-C-N 116.098 -0.501 . . . . 0.21 111.123 -177.74 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 574' ' ' GLN . . . . . 0.595 ' HG2' ' O ' ' A' ' 570' ' ' GLN . 29.5 mm-40 -58.23 -38.15 76.28 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.596 -0.52 . . . . 1.9 109.596 177.653 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -69.65 -50.39 44.58 Favored 'General case' 0 C--O 1.219 -0.528 0 CA-C-N 116.121 -0.49 . . . . 0.52 111.053 173.605 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 576' ' ' TYR . . . . . 0.419 ' CB ' ' HB ' ' A' ' 590' ' ' ILE . 20.8 m-85 -72.2 -16.62 61.95 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 112.771 0.656 . . . . 0.34 112.771 -172.389 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -71.82 -34.3 69.22 Favored 'General case' 0 C--N 1.318 -0.778 0 C-N-CA 120.727 -0.389 . . . . 1.84 110.673 173.24 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -96.92 -39.67 9.27 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.103 0.478 . . . . 2.07 110.835 179.696 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -126.48 79.77 70.47 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 115.647 -0.706 . . . . 2.07 110.017 177.838 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -70.15 161.35 46.33 Favored 'Trans proline' 0 C--O 1.235 0.327 0 C-N-CA 123.726 2.951 . . . . 0.19 112.483 -176.238 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 581' ' ' ALA . . . . . 0.47 ' HB1' HD22 ' A' ' 540' ' ' LEU . . . -92.27 152.69 19.69 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.199 -0.455 . . . . 0.2 110.522 -175.76 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 66.7 mt -120.55 133.99 65.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-O 120.94 0.4 . . . . 0.54 112.026 -170.537 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 583' ' ' ILE . . . . . 0.548 HD12 HD11 ' A' ' 588' ' ' LEU . 39.8 mt -121.53 116.36 49.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.961 -0.563 . . . . 0.73 110.168 171.51 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 58.44 39.27 25.32 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 116.093 -0.503 . . . . 1.46 111.789 175.847 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 84.57 0.87 89.32 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.983 -0.627 . . . . 0.67 112.885 178.076 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -105.07 126.74 52.4 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.856 0.36 . . . . 1.93 110.389 179.823 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 60.3 mtpt -83.49 113.4 20.76 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.977 -0.556 . . . . 2.12 110.366 -178.838 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 588' ' ' LEU . . . . . 0.548 HD11 HD12 ' A' ' 583' ' ' ILE . 54.3 mt -87.38 127.4 35.21 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.993 -0.549 . . . . 0.28 109.863 177.929 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 589' ' ' LEU . . . . . 0.404 ' HB3' ' SG ' ' A' ' 525' ' ' CYS . 37.8 tp -83.69 107.93 16.44 Favored 'General case' 0 C--N 1.309 -1.17 0 N-CA-C 108.655 -0.869 . . . . 0.38 108.655 173.725 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 590' ' ' ILE . . . . . 0.419 ' HB ' ' CB ' ' A' ' 576' ' ' TYR . 40.8 mt -96.43 115.59 36.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 108.432 -0.951 . . . . 0.17 108.432 177.056 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 591' ' ' ARG . . . . . 0.689 ' HA ' HG13 ' A' ' 573' ' ' VAL . 73.7 mtt180 -139.04 165.04 28.18 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.324 0.49 . . . . 3.0 112.324 -173.787 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 592' ' ' MET . . . . . 0.602 ' HG2' HG11 ' A' ' 573' ' ' VAL . 0.1 OUTLIER -62.95 134.71 56.61 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.623 -0.717 . . . . 0.33 109.43 -178.629 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 23.0 t -81.8 130.78 35.18 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.047 0.451 . . . . 1.04 110.759 -176.482 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 22.2 p -99.12 -25.14 14.63 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.521 -0.763 . . . . 1.6 110.304 175.145 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 81.8 mtp180 -74.52 -39.53 62.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.386 -0.825 . . . . 2.94 110.801 -179.574 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 66.3 m-85 -124.25 133.63 53.45 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.333 -0.394 . . . . 0.93 110.308 177.273 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 597' ' ' LYS . . . . . 0.555 ' O ' ' HA ' ' A' ' 520' ' ' ARG . 83.2 tttt -91.27 -39.63 11.97 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.866 -0.606 . . . . 3.4 109.524 174.568 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 598' ' ' GLU . . . . . 0.425 ' HA ' HG23 ' A' ' 521' ' ' VAL . 8.7 pt-20 -148.71 144.62 27.22 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.938 -1.028 . . . . 2.02 109.589 -179.17 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 599' ' ' LEU . . . . . 0.467 HD12 ' HB2' ' A' ' 562' ' ' GLU . 42.9 mt -84.63 104.82 14.95 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.348 0.594 . . . . 1.02 110.266 178.02 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -98.03 60.45 1.46 Allowed 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 115.221 -0.899 . . . . 2.87 109.848 -175.868 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 75.3 mt -61.38 146.53 47.95 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.258 -0.883 . . . . 1.47 110.143 -179.02 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -78.24 67.7 4.11 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.368 0.604 . . . . 5.4 110.966 -174.916 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 33.4 mtmm -116.48 104.04 52.09 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 115.736 -0.665 . . . . 5.81 109.356 176.359 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 604' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -54.45 -35.96 86.57 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 123.063 2.509 . . . . 6.24 112.897 -176.395 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 605' ' ' GLY . . . . . . . . . . . . . . . 69.04 -152.79 52.52 Favored Glycine 0 N--CA 1.444 -0.782 0 CA-C-N 115.836 -0.62 . . . . 6.9 112.049 -179.095 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 13.1 mmmm -121.71 109.29 14.55 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.482 -0.562 . . . . 8.87 109.482 179.284 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 21.1 p30 -91.58 -26.03 18.92 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 121.057 -0.257 . . . . 9.21 111.52 -177.059 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 41.1 t -78.16 -64.0 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 109.677 -0.49 . . . . 9.63 109.677 177.414 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -83.45 94.6 8.04 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.076 -0.713 . . . . 9.47 109.076 174.738 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -51.34 130.81 27.78 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.254 -0.884 . . . . 9.11 112.235 -173.7 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 42.4 mm -74.98 86.54 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.803 -0.635 . . . . 8.31 109.875 177.855 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 612' ' ' ILE . . . . . . . . . . . . . 77.2 mt -115.74 102.64 14.02 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.732 0 CA-C-N 115.657 -0.701 . . . . 8.86 109.678 178.077 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -85.03 21.64 1.58 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.744 -0.662 . . . . 10.28 111.405 -175.877 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 24.0 t70 73.09 -49.11 0.69 Allowed 'General case' 0 N--CA 1.467 0.421 0 O-C-N 123.88 0.738 . . . . 10.41 111.228 179.133 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 615' ' ' ILE . . . . . 0.414 ' O ' HD12 ' A' ' 615' ' ' ILE . 1.2 pp -110.04 111.25 35.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 121.213 0.53 . . . . 8.61 111.664 177.538 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 616' ' ' HIS . . . . . 0.446 ' HB3' ' O ' ' A' ' 516' ' ' LYS . 57.5 m80 65.27 80.2 0.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.372 -0.831 . . . . 6.75 111.906 174.927 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 56.3 m -150.83 93.22 1.92 Allowed 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.384 -0.826 . . . . 6.99 109.564 176.024 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 618' ' ' GLN . . . . . . . . . . . . . 11.3 mm100 -80.0 53.96 1.8 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.008 0.432 . . . . 9.26 111.079 -174.978 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 30.7 mmm180 -132.96 42.12 3.09 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.982 -0.553 . . . . 12.9 109.683 -179.518 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 620' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -68.34 137.94 55.03 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.619 -0.719 . . . . 11.34 111.645 -175.115 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 30.3 mtp180 . . . . . 0 C--O 1.247 0.967 0 CA-C-O 118.497 -0.763 . . . . 11.46 109.782 172.759 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.896 0 N-CA-C 112.138 -0.385 . . . . 6.72 112.138 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . -84.97 -1.88 57.28 Favored 'General case' 0 C--N 1.328 -0.353 0 O-C-N 122.849 -0.206 . . . . 5.43 111.351 -176.942 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 512' ' ' MET . . . . . 0.418 ' HG2' HG23 ' A' ' 611' ' ' ILE . 56.3 mtt -61.84 -30.35 70.78 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.978 0.418 . . . . 6.23 110.742 179.561 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 513' ' ' ALA . . . . . 0.484 ' CB ' ' HB ' ' A' ' 548' ' ' THR . . . -159.94 -158.56 0.65 Allowed 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.724 -0.671 . . . . 2.28 110.164 -176.989 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 514' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 57.63 76.52 0.32 Allowed 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 121.406 0.622 . . . . 5.14 111.017 -178.791 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 25.5 mmt180 -82.46 -54.66 5.02 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.458 -0.792 . . . . 6.6 110.011 -177.082 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -81.56 115.65 20.95 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.597 -0.729 . . . . 5.25 109.649 179.089 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -71.89 71.52 0.92 Allowed Glycine 0 N--CA 1.451 -0.342 0 N-CA-C 111.707 -0.557 . . . . 3.29 111.707 179.502 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 518' ' ' ALA . . . . . 0.412 ' C ' ' HB ' ' A' ' 566' ' ' THR . . . 176.02 -15.73 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 123.332 0.653 . . . . 2.38 110.218 -171.327 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -43.68 133.22 6.03 Favored Glycine 0 C--N 1.343 0.945 0 O-C-N 123.736 0.648 . . . . 1.58 112.393 177.156 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -105.98 156.24 18.58 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.866 0.365 . . . . 2.39 111.207 -172.603 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 74.5 t -94.22 132.58 37.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.5 -0.773 . . . . 0.44 109.635 175.871 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 522' ' ' VAL . . . . . 0.467 HG21 ' SD ' ' A' ' 572' ' ' MET . 61.0 t -103.45 133.25 47.85 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.982 0 CA-C-N 115.755 -0.657 . . . . 0.25 109.424 177.202 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 5.8 p-80 -109.38 139.43 44.35 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.144 0.497 . . . . 1.75 110.007 -177.95 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 524' ' ' ILE . . . . . 0.467 HD12 HG13 ' A' ' 537' ' ' VAL . 78.2 mt -115.98 129.78 71.77 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.881 0 CA-C-N 115.673 -0.694 . . . . 0.28 110.172 179.231 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 16.4 p -120.56 175.02 6.2 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.889 -0.596 . . . . 1.28 110.5 -176.909 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 67.87 29.07 6.81 Favored 'General case' 0 N--CA 1.466 0.341 0 O-C-N 123.567 0.542 . . . . 1.22 110.361 179.147 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 79.8 mt -82.57 122.34 78.61 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 115.603 -0.726 . . . . 0.6 111.082 -175.917 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 528' ' ' PRO . . . . . 0.506 ' HD2' ' SG ' ' A' ' 532' ' ' CYS . 38.1 Cg_endo -69.01 129.53 18.57 Favored 'Trans proline' 0 N--CA 1.459 -0.539 0 C-N-CA 121.379 1.386 . . . . 0.62 111.025 174.093 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -70.4 125.73 27.62 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.972 -0.558 . . . . 2.98 111.701 -177.333 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 84.95 -18.4 26.99 Favored Glycine 0 N--CA 1.45 -0.405 0 CA-C-N 115.887 -0.597 . . . . 0.94 112.994 177.393 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 50.9 m -86.15 -34.46 20.57 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.805 0.336 . . . . 1.17 111.318 -176.699 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 532' ' ' CYS . . . . . 0.506 ' SG ' ' HD2' ' A' ' 528' ' ' PRO . 57.2 m -85.34 149.31 25.54 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.365 -0.379 . . . . 0.77 110.212 179.372 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 533' ' ' THR . . . . . 0.434 ' O ' HG23 ' A' ' 537' ' ' VAL . 30.1 p -106.46 165.92 10.92 Favored 'General case' 0 C--N 1.319 -0.761 0 N-CA-C 109.125 -0.695 . . . . 0.54 109.125 173.932 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -62.63 -45.28 93.56 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.05 -0.722 . . . . 1.32 109.05 176.744 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -62.41 -43.57 98.5 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.096 -0.956 . . . . 1.95 111.793 -177.016 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 536' ' ' ASP . . . . . 0.686 ' O ' ' HG ' ' A' ' 540' ' ' LEU . 8.8 m-20 -61.15 -45.85 92.97 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 120.908 -0.317 . . . . 0.52 111.45 -179.069 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 537' ' ' VAL . . . . . 0.467 HG13 HD12 ' A' ' 524' ' ' ILE . 70.9 t -61.66 -42.05 92.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.101 0.477 . . . . 0.25 110.508 -178.986 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 86.3 mt -67.13 -45.83 85.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.768 -0.651 . . . . 0.24 110.743 177.301 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 539' ' ' ASN . . . . . 0.534 ' O ' ' HD3' ' A' ' 543' ' ' PRO . 79.0 m-20 -61.79 -27.15 68.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.564 -0.744 . . . . 1.07 112.056 -178.341 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 540' ' ' LEU . . . . . 0.686 ' HG ' ' O ' ' A' ' 536' ' ' ASP . 41.0 mt -64.24 -39.49 94.07 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 121.094 -0.242 . . . . 0.36 111.287 178.74 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -80.01 -36.87 23.73 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.71 -0.757 . . . . 0.22 112.772 -177.562 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 542' ' ' LEU . . . . . 0.642 ' HA ' ' O ' ' A' ' 545' ' ' GLY . 68.5 mt -48.07 -42.81 52.39 Favored Pre-proline 0 CA--C 1.545 0.776 0 N-CA-C 115.343 1.609 . . . . 0.25 115.343 -173.218 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 543' ' ' PRO . . . . . 0.534 ' HD3' ' O ' ' A' ' 539' ' ' ASN . 80.3 Cg_exo -50.79 -34.4 44.54 Favored 'Trans proline' 0 C--N 1.357 1.003 0 C-N-CA 121.849 1.699 . . . . 0.19 115.138 -174.706 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 69.2 m-85 -110.6 -18.98 13.05 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 113.039 0.755 . . . . 0.35 113.039 177.778 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 545' ' ' GLY . . . . . 0.642 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . -145.35 149.66 21.81 Favored Glycine 0 CA--C 1.52 0.351 0 C-N-CA 120.266 -0.968 . . . . 1.14 113.529 178.443 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 546' ' ' LYS . . . . . 0.497 ' O ' ' HA ' ' A' ' 563' ' ' MET . 56.2 tptt -86.72 127.67 34.98 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.774 0.321 . . . . 1.56 111.674 -177.926 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 547' ' ' VAL . . . . . 0.601 ' HA ' ' O ' ' A' ' 562' ' ' GLU . 84.4 t -87.98 135.71 24.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.473 -0.785 . . . . 0.25 110.535 177.017 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 548' ' ' THR . . . . . 0.484 ' HB ' ' CB ' ' A' ' 513' ' ' ALA . 81.5 p -101.27 -39.59 7.55 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.084 0.469 . . . . 0.37 110.523 177.188 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 549' ' ' ASN . . . . . 0.471 ' HB2' HD11 ' A' ' 601' ' ' LEU . 8.3 p30 -157.98 168.46 27.06 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.647 -0.706 . . . . 1.43 109.941 179.423 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 33.4 p90 -141.24 151.15 43.48 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.982 0.42 . . . . 0.47 110.885 -177.756 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 551' ' ' ILE . . . . . 0.53 HD12 HD22 ' A' ' 599' ' ' LEU . 29.9 mt -130.73 123.73 55.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.643 -0.708 . . . . 0.37 109.148 174.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 552' ' ' LEU . . . . . . . . . . . . . 46.5 mt -110.68 111.22 22.27 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.289 -0.414 . . . . 0.45 111.526 -174.507 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 63.4 mtt -108.93 86.02 2.21 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.411 0.624 . . . . 1.18 110.033 174.417 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 32.7 mmtm -67.74 -30.09 69.48 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.386 -0.824 . . . . 1.45 110.461 -177.031 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 65.1 p -58.88 -36.85 75.33 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.603 -0.726 . . . . 1.11 111.602 -178.011 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 556' ' ' THR . . . . . 0.409 ' O ' ' HG2' ' A' ' 558' ' ' GLN . 69.2 p -101.07 11.43 39.56 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.297 -0.41 . . . . 0.88 111.601 -178.895 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 56.34 43.23 26.64 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.93 -0.577 . . . . 2.35 110.737 -179.806 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 558' ' ' GLN . . . . . 0.409 ' HG2' ' O ' ' A' ' 556' ' ' THR . 74.6 mm-40 -140.23 149.02 42.37 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.132 0.492 . . . . 2.07 110.85 -175.61 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -130.13 142.56 50.58 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 115.944 -0.571 . . . . 0.27 109.527 175.498 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 560' ' ' PHE . . . . . 0.518 ' HB3' HD21 ' A' ' 599' ' ' LEU . 76.6 m-85 -120.05 126.79 51.66 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 109.666 -0.494 . . . . 0.33 109.666 179.348 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 14.8 tp -124.19 128.09 48.7 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.735 -0.666 . . . . 0.22 109.559 -174.232 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 562' ' ' GLU . . . . . 0.601 ' O ' ' HA ' ' A' ' 547' ' ' VAL . 7.4 tp10 -99.35 138.45 36.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.69 -0.232 . . . . 1.85 111.327 -172.321 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 563' ' ' MET . . . . . 0.497 ' HA ' ' O ' ' A' ' 546' ' ' LYS . 14.8 mmt -115.96 135.07 54.32 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.337 0.589 . . . . 0.96 111.43 -176.2 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -66.26 -25.99 67.13 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.332 -0.849 . . . . 0.36 111.556 -177.155 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -126.12 134.41 51.35 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.423 -0.808 . . . . 1.27 109.12 -178.826 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 566' ' ' THR . . . . . 0.412 ' HB ' ' C ' ' A' ' 518' ' ' ALA . 7.1 t -69.37 -30.81 68.89 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.71 0.291 . . . . 0.52 110.246 178.675 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -66.94 -35.88 80.99 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-O 121.055 0.455 . . . . 1.91 110.062 174.705 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 568' ' ' ALA . . . . . 0.622 ' HB1' ' CA ' ' A' ' 545' ' ' GLY . . . -62.54 -46.16 89.64 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 115.52 -0.764 . . . . 0.28 109.519 176.854 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . 0.87 ' HA ' ' SD ' ' A' ' 572' ' ' MET . . . -64.29 -45.48 87.83 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.507 -0.769 . . . . 0.19 111.567 -179.631 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 570' ' ' GLN . . . . . 0.555 ' O ' ' HG2' ' A' ' 574' ' ' GLN . 46.9 mt-30 -65.86 -47.15 75.9 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.26 -0.427 . . . . 1.21 111.149 -179.251 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -68.82 -37.93 79.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.552 -0.294 . . . . 0.31 111.547 -176.349 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 572' ' ' MET . . . . . 0.87 ' SD ' ' HA ' ' A' ' 569' ' ' ALA . 3.0 ptm -63.58 -47.69 80.44 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.674 -0.491 . . . . 0.62 109.674 -179.509 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 573' ' ' VAL . . . . . 0.688 HG13 ' HA ' ' A' ' 591' ' ' ARG . 50.6 t -67.24 -37.42 79.1 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.611 0 CA-C-N 116.399 -0.364 . . . . 0.21 111.235 -177.743 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 574' ' ' GLN . . . . . 0.555 ' HG2' ' O ' ' A' ' 570' ' ' GLN . 15.8 mm100 -59.1 -36.83 75.83 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.619 -0.432 . . . . 1.9 110.001 177.597 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 575' ' ' TYR . . . . . 0.414 ' HD2' ' CD2' ' A' ' 576' ' ' TYR . 82.5 t80 -69.67 -50.69 41.54 Favored 'General case' 0 C--O 1.219 -0.537 0 C-N-CA 120.729 -0.389 . . . . 0.52 111.277 172.958 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 576' ' ' TYR . . . . . 0.54 ' CB ' ' HB ' ' A' ' 590' ' ' ILE . 20.4 m-85 -74.7 -19.41 60.26 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 112.34 0.496 . . . . 0.34 112.34 -170.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 15.9 mm-40 -71.11 -30.54 66.64 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 120.904 0.383 . . . . 1.84 110.74 172.641 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 36.1 mm-40 -97.58 -39.93 8.87 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.115 0.483 . . . . 2.07 111.286 -179.819 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 13.1 mmmm -128.9 84.47 62.99 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-N 115.938 -0.574 . . . . 2.07 109.641 175.009 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_exo -73.37 159.62 46.36 Favored 'Trans proline' 0 CA--C 1.529 0.229 0 C-N-CA 123.396 2.731 . . . . 0.19 112.284 -176.282 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 581' ' ' ALA . . . . . 0.518 ' HB1' HD22 ' A' ' 540' ' ' LEU . . . -93.62 153.16 18.54 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.826 0.346 . . . . 0.2 111.193 -172.88 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 582' ' ' ILE . . . . . 0.514 ' HA ' ' O ' ' A' ' 586' ' ' GLU . 61.8 mt -111.33 133.05 58.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.105 0.479 . . . . 0.54 112.166 -173.06 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 583' ' ' ILE . . . . . . . . . . . . . 34.3 mm -120.51 113.57 40.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 115.366 -0.834 . . . . 0.73 110.543 173.493 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 52.91 40.61 31.22 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 122.87 0.468 . . . . 1.46 111.759 178.314 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 85.76 4.49 85.03 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.739 -0.743 . . . . 0.67 112.644 179.28 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 586' ' ' GLU . . . . . 0.514 ' O ' ' HA ' ' A' ' 582' ' ' ILE . 56.3 mm-40 -101.83 125.42 48.5 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 110.093 -0.336 . . . . 1.93 110.093 178.443 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -86.83 107.42 18.3 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.39 -0.596 . . . . 2.12 109.39 177.217 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 588' ' ' LEU . . . . . . . . . . . . . 77.4 mt -92.43 125.86 37.26 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.833 -0.622 . . . . 0.28 110.451 -177.764 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 32.2 tp -82.55 109.4 16.72 Favored 'General case' 0 N--CA 1.44 -0.969 0 N-CA-C 108.573 -0.899 . . . . 0.38 108.573 175.119 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 590' ' ' ILE . . . . . 0.54 ' HB ' ' CB ' ' A' ' 576' ' ' TYR . 49.2 mt -94.96 116.02 35.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 N-CA-C 108.42 -0.955 . . . . 0.17 108.42 -179.859 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 591' ' ' ARG . . . . . 0.688 ' HA ' HG13 ' A' ' 573' ' ' VAL . 27.0 ptt180 -144.73 163.97 32.42 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.985 0.735 . . . . 3.0 112.985 -172.69 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 592' ' ' MET . . . . . 0.577 ' HG2' HG11 ' A' ' 573' ' ' VAL . 0.7 OUTLIER -63.61 139.59 58.78 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.248 -0.887 . . . . 0.33 110.549 -173.563 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 23.1 t -87.85 126.63 35.14 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.772 -0.455 . . . . 1.04 109.772 174.835 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 15.1 p -95.38 -14.02 24.21 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.201 0.524 . . . . 1.6 109.895 173.472 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -81.45 -37.08 28.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.594 -0.73 . . . . 2.94 110.792 179.737 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -115.09 132.9 56.45 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.041 0.448 . . . . 0.93 111.109 176.317 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 62.0 mttp -91.58 -39.96 11.61 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.421 -0.808 . . . . 3.4 109.356 172.722 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -143.33 148.2 35.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.04 -0.982 . . . . 2.02 109.209 178.226 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 599' ' ' LEU . . . . . 0.53 HD22 HD12 ' A' ' 551' ' ' ILE . 59.3 mt -87.63 109.03 19.36 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.239 0.543 . . . . 1.02 110.311 175.131 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -93.5 94.59 8.75 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 115.535 -0.757 . . . . 2.87 109.054 177.398 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 601' ' ' LEU . . . . . 0.471 HD11 ' HB2' ' A' ' 549' ' ' ASN . 90.7 mt -61.91 102.98 0.31 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.154 -0.475 . . . . 1.47 110.856 -178.838 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 602' ' ' LYS . . . . . 0.507 ' HD3' ' H ' ' A' ' 602' ' ' LYS . 0.0 OUTLIER -79.39 -8.02 58.79 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.41 0.624 . . . . 5.4 109.436 174.08 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 603' ' ' LYS . . . . . 0.402 ' O ' ' HE3' ' A' ' 606' ' ' LYS . 75.2 mmtt -76.78 127.88 83.0 Favored Pre-proline 0 N--CA 1.448 -0.526 0 CA-C-N 115.26 -0.882 . . . . 5.81 110.145 178.725 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 604' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -75.87 1.04 8.58 Favored 'Trans proline' 0 CA--C 1.529 0.267 0 C-N-CA 122.827 2.352 . . . . 6.24 113.055 -178.714 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 605' ' ' GLY . . . . . . . . . . . . . . . -67.36 -61.01 5.4 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.925 -0.655 . . . . 6.9 112.219 179.626 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . 0.402 ' HE3' ' O ' ' A' ' 603' ' ' LYS . 34.1 mmtp 63.55 -174.71 0.16 Allowed 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 122.99 0.516 . . . . 8.87 111.264 178.574 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 607' ' ' ASN . . . . . 0.447 ' OD1' HG13 ' A' ' 611' ' ' ILE . 12.6 t30 56.15 73.87 0.42 Allowed 'General case' 0 N--CA 1.466 0.375 0 CA-C-O 121.38 0.61 . . . . 9.21 110.804 -177.595 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 79.5 t -79.45 -65.16 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.178 -0.465 . . . . 9.63 109.955 176.606 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -90.84 -56.53 3.14 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.921 -0.581 . . . . 9.47 109.817 174.857 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -168.21 154.31 7.22 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.76 -0.655 . . . . 9.11 109.758 178.604 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . 0.447 HG13 ' OD1' ' A' ' 607' ' ' ASN . 58.1 mt -86.35 77.4 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 121.476 0.655 . . . . 8.31 109.493 176.503 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 612' ' ' ILE . . . . . . . . . . . . . 61.3 mt -83.27 124.95 40.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.594 -0.73 . . . . 8.86 109.744 -179.557 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -113.99 -20.93 10.83 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.286 0.476 . . . . 10.28 112.286 -174.214 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -108.02 -68.16 0.92 Allowed 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.5 0.555 . . . . 10.41 112.5 -173.45 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 615' ' ' ILE . . . . . 0.432 ' H ' HG13 ' A' ' 615' ' ' ILE . 2.8 pp -79.7 170.92 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 112.023 0.379 . . . . 8.61 112.023 -173.633 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 39.8 m80 -75.59 -65.68 0.87 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.671 0.272 . . . . 6.75 110.59 -177.01 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 12.3 p -133.94 -68.58 0.56 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.211 -0.45 . . . . 6.99 110.748 -178.649 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 618' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 54.91 -165.42 0.1 Allowed 'General case' 0 C--O 1.236 0.366 0 CA-C-O 121.467 0.651 . . . . 9.26 111.602 178.612 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 619' ' ' ARG . . . . . 0.534 ' NE ' ' HA ' ' A' ' 619' ' ' ARG . 4.0 mmp_? -81.35 105.45 12.54 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 108.915 -0.772 . . . . 12.9 108.915 171.145 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 620' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -61.68 136.09 57.87 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.198 -0.91 . . . . 11.34 111.156 -176.365 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 86.5 mtm180 . . . . . 0 C--O 1.247 0.967 0 CA-C-O 118.309 -0.853 . . . . 11.46 110.325 -177.284 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.562 0 N-CA-C 111.929 -0.468 . . . . 6.72 111.929 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . -115.24 28.31 8.78 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.195 0.522 . . . . 5.43 110.67 -179.776 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.7 -27.93 28.65 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.958 -0.565 . . . . 6.23 110.723 -180.0 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -109.24 -159.98 0.7 Allowed 'General case' 0 CA--C 1.511 -0.524 0 CA-C-O 121.482 0.658 . . . . 2.28 111.17 -176.585 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 514' ' ' GLN . . . . . 0.458 ' CG ' HG22 ' A' ' 548' ' ' THR . 14.1 mm100 -79.51 -36.73 38.09 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.134 -0.939 . . . . 5.14 110.231 172.933 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 16.2 mmm180 -142.97 -90.49 0.13 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.268 -0.423 . . . . 6.6 111.67 -172.904 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp -104.28 -7.49 19.99 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.355 -0.384 . . . . 5.25 111.192 -177.233 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 517' ' ' GLY . . . . . 0.448 ' C ' ' H ' ' A' ' 519' ' ' GLY . . . 72.02 29.96 66.16 Favored Glycine 0 N--CA 1.446 -0.635 0 N-CA-C 109.391 -1.483 . . . . 3.29 109.391 -167.589 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 518' ' ' ALA . . . . . 0.437 ' O ' ' HB ' ' A' ' 566' ' ' THR . . . 70.62 -40.02 0.46 Allowed 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 114.073 -1.064 . . . . 2.38 111.785 -174.377 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 519' ' ' GLY . . . . . 0.448 ' H ' ' C ' ' A' ' 517' ' ' GLY . . . 95.04 -7.06 69.59 Favored Glycine 0 C--N 1.312 -0.753 0 N-CA-C 110.121 -1.192 . . . . 1.58 110.121 -170.715 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 520' ' ' ARG . . . . . 0.547 ' HD2' HE22 ' A' ' 570' ' ' GLN . 92.8 mtt180 -146.78 140.91 26.18 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 114.516 -0.842 . . . . 2.39 109.66 176.791 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 68.8 t -104.1 138.55 28.21 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.966 0 CA-C-N 116.08 -0.509 . . . . 0.44 109.72 174.469 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 522' ' ' VAL . . . . . . . . . . . . . 49.3 t -98.99 128.94 50.09 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 N-CA-C 109.531 -0.544 . . . . 0.25 109.531 -179.624 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 523' ' ' HIS . . . . . 0.438 ' CE1' ' HG3' ' A' ' 591' ' ' ARG . 5.0 p-80 -106.43 136.72 45.69 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.407 -0.517 . . . . 1.75 109.913 -179.447 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 524' ' ' ILE . . . . . 0.496 HD12 HG13 ' A' ' 537' ' ' VAL . 74.7 mt -110.77 130.47 64.1 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.953 0 CA-C-N 115.517 -0.765 . . . . 0.28 110.135 -178.936 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 525' ' ' CYS . . . . . 0.595 ' SG ' ' HB3' ' A' ' 589' ' ' LEU . 2.9 p -123.45 175.0 7.01 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.93 -0.577 . . . . 1.28 111.0 -177.106 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 69.55 26.34 5.11 Favored 'General case' 0 N--CA 1.469 0.487 0 O-C-N 124.027 0.829 . . . . 1.22 110.312 -174.824 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 79.6 mt -83.43 121.67 76.73 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 115.981 -0.554 . . . . 0.6 111.164 -177.572 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 528' ' ' PRO . . . . . 0.768 ' HD2' ' SG ' ' A' ' 532' ' ' CYS . 17.3 Cg_exo -68.17 132.26 25.59 Favored 'Trans proline' 0 C--O 1.238 0.496 0 C-N-CA 122.474 2.116 . . . . 0.62 111.596 171.696 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -68.07 131.64 45.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.845 0.355 . . . . 2.98 111.509 -179.679 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 77.36 -19.64 3.68 Favored Glycine 0 C--O 1.228 -0.223 0 CA-C-N 115.96 -0.564 . . . . 0.94 113.834 174.583 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 531' ' ' SER . . . . . 0.499 ' HB2' ' HB2' ' A' ' 528' ' ' PRO . 16.1 m -85.46 -32.17 22.43 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 117.139 0.469 . . . . 1.17 110.605 -179.556 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 532' ' ' CYS . . . . . 0.768 ' SG ' ' HD2' ' A' ' 528' ' ' PRO . 36.4 m -85.24 136.11 33.65 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.893 -0.594 . . . . 0.77 109.952 178.27 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 69.9 p -105.93 168.61 9.01 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.523 -0.547 . . . . 0.54 109.523 176.52 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -59.93 -40.67 89.69 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.502 0.668 . . . . 1.32 109.348 179.603 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -62.5 -43.49 98.68 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 114.798 -1.092 . . . . 1.95 112.105 -175.653 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 536' ' ' ASP . . . . . 0.459 ' O ' ' HG ' ' A' ' 540' ' ' LEU . 63.9 m-20 -63.75 -47.42 81.09 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 120.956 0.408 . . . . 0.52 110.898 -175.874 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 537' ' ' VAL . . . . . 0.496 HG13 HD12 ' A' ' 524' ' ' ILE . 59.5 t -62.57 -42.58 96.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.443 -0.799 . . . . 0.25 110.857 -176.53 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 97.8 mt -66.74 -45.58 87.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.012 -0.54 . . . . 0.24 110.978 179.298 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 539' ' ' ASN . . . . . 0.562 ' O ' ' HD3' ' A' ' 543' ' ' PRO . 21.5 m-80 -63.47 -28.31 69.87 Favored 'General case' 0 CA--C 1.518 -0.254 0 N-CA-C 112.563 0.579 . . . . 1.07 112.563 -179.849 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 540' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' A' ' 536' ' ' ASP . 28.7 mt -68.39 -33.51 74.38 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.67 -0.412 . . . . 0.36 111.669 178.804 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -79.25 -33.86 34.5 Favored Glycine 0 CA--C 1.518 0.264 0 C-N-CA 120.22 -0.99 . . . . 0.22 112.674 -178.281 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 542' ' ' LEU . . . . . 0.548 HD12 ' HA ' ' A' ' 539' ' ' ASN . 87.8 mt -52.04 -48.1 89.49 Favored Pre-proline 0 CA--C 1.548 0.873 0 N-CA-C 115.531 1.678 . . . . 0.25 115.531 -175.019 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 543' ' ' PRO . . . . . 0.562 ' HD3' ' O ' ' A' ' 539' ' ' ASN . 17.2 Cg_exo -43.24 -33.53 3.83 Favored 'Trans proline' 0 N--CA 1.484 0.953 0 C-N-CA 123.259 2.639 . . . . 0.19 117.273 -167.27 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 544' ' ' PHE . . . . . 0.495 ' HB2' ' CA ' ' A' ' 572' ' ' MET . 79.0 m-85 -110.02 -17.44 13.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 121.16 -0.963 . . . . 0.35 112.362 179.719 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -128.77 -140.33 4.92 Favored Glycine 0 C--N 1.32 -0.359 0 CA-C-N 116.094 -0.503 . . . . 1.14 112.741 -179.348 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 546' ' ' LYS . . . . . 0.472 ' O ' ' HA ' ' A' ' 563' ' ' MET . 29.9 tptp -151.41 138.73 19.37 Favored 'General case' 0 C--N 1.312 -1.038 0 N-CA-C 109.147 -0.686 . . . . 1.56 109.147 173.369 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 92.3 t -91.88 134.38 30.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 O-C-N 123.229 0.331 . . . . 0.25 110.469 179.461 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 548' ' ' THR . . . . . 0.492 ' CG2' ' HA ' ' A' ' 564' ' ' ALA . 37.4 p -107.33 -40.57 5.34 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.023 -0.535 . . . . 0.37 111.031 176.908 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 72.3 m-20 -147.81 165.65 29.92 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.988 -0.551 . . . . 1.43 109.93 -176.694 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 550' ' ' TYR . . . . . 0.539 ' O ' HD21 ' A' ' 601' ' ' LEU . 11.8 p90 -150.04 150.03 31.17 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 110.139 -0.319 . . . . 0.47 110.139 178.057 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 551' ' ' ILE . . . . . 0.444 HD12 HD22 ' A' ' 599' ' ' LEU . 21.0 mt -137.74 124.07 27.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 109.299 -0.63 . . . . 0.37 109.299 173.407 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 552' ' ' LEU . . . . . . . . . . . . . 84.5 mt -105.09 110.83 23.37 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 116.009 -0.542 . . . . 0.45 110.97 -177.098 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 24.9 mmt -101.47 81.82 2.23 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.782 -0.822 . . . . 1.18 108.782 174.597 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -70.55 -30.18 66.83 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.002 -0.999 . . . . 1.45 110.951 -175.286 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 65.3 p -64.27 -25.92 68.27 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.899 -0.591 . . . . 1.11 111.174 178.914 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 76.6 p -105.96 9.38 32.64 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.3 -0.409 . . . . 0.88 111.367 179.785 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 4.1 t30 56.85 42.64 26.21 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 115.821 -0.627 . . . . 2.35 110.823 -179.337 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -143.37 149.72 38.1 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.009 0.433 . . . . 2.07 111.369 -174.554 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -130.49 143.8 50.99 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.143 -0.48 . . . . 0.27 110.271 176.083 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 560' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -120.61 129.09 53.59 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.011 -0.54 . . . . 0.33 110.062 178.791 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 15.2 tp -124.29 126.32 45.84 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.013 -0.54 . . . . 0.22 110.123 -175.525 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 562' ' ' GLU . . . . . 0.429 ' HB2' HD12 ' A' ' 599' ' ' LEU . 39.2 tt0 -100.65 138.95 37.01 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.253 -0.431 . . . . 1.85 110.075 -176.945 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 563' ' ' MET . . . . . 0.472 ' HA ' ' O ' ' A' ' 546' ' ' LYS . 21.6 mmt -109.61 164.09 12.86 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.108 -0.496 . . . . 0.96 111.274 -174.402 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 564' ' ' ALA . . . . . 0.492 ' HA ' ' CG2' ' A' ' 548' ' ' THR . . . -65.1 -46.78 79.64 Favored 'General case' 0 C--O 1.237 0.427 0 N-CA-C 111.958 0.355 . . . . 0.36 111.958 -178.35 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -133.61 161.16 35.4 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.878 -0.601 . . . . 1.27 109.545 -178.547 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 566' ' ' THR . . . . . 0.591 ' O ' ' HG2' ' A' ' 570' ' ' GLN . 14.7 t -63.64 -36.9 85.35 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 120.367 -0.533 . . . . 0.52 110.134 179.175 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -65.18 -31.77 73.12 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-O 120.877 0.37 . . . . 1.91 110.651 177.244 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 568' ' ' ALA . . . . . . . . . . . . . . . -62.2 -47.13 85.83 Favored 'General case' 0 N--CA 1.447 -0.625 0 N-CA-C 108.576 -0.898 . . . . 0.28 108.576 172.992 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . 0.55 ' HA ' ' SD ' ' A' ' 572' ' ' MET . . . -67.76 -39.29 84.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.042 -0.981 . . . . 0.19 112.028 -177.865 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 570' ' ' GLN . . . . . 0.591 ' HG2' ' O ' ' A' ' 566' ' ' THR . 23.4 mm-40 -62.51 -46.11 89.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.224 0.535 . . . . 1.21 110.055 178.422 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -62.22 -47.78 82.89 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.283 -0.871 . . . . 0.31 113.011 -167.228 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 572' ' ' MET . . . . . 0.55 ' SD ' ' HA ' ' A' ' 569' ' ' ALA . 0.5 OUTLIER -71.31 -41.84 69.41 Favored 'General case' 0 CA--C 1.518 -0.266 0 C-N-CA 119.902 -0.719 . . . . 0.62 110.544 -177.892 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 573' ' ' VAL . . . . . 0.615 HG13 ' HA ' ' A' ' 591' ' ' ARG . 91.3 t -67.37 -37.17 78.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.912 -0.585 . . . . 0.21 112.079 -174.968 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 574' ' ' GLN . . . . . 0.532 ' HG2' ' O ' ' A' ' 570' ' ' GLN . 11.5 mm-40 -59.48 -36.74 76.59 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.693 -0.403 . . . . 1.9 109.944 176.736 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -68.71 -48.61 63.42 Favored 'General case' 0 C--O 1.215 -0.757 0 CA-C-N 116.17 -0.468 . . . . 0.52 110.499 172.113 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 576' ' ' TYR . . . . . 0.47 ' CB ' ' HB ' ' A' ' 590' ' ' ILE . 25.0 m-85 -76.01 -16.87 59.89 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 113.859 1.059 . . . . 0.34 113.859 -171.141 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -78.74 -28.48 44.9 Favored 'General case' 0 C--N 1.315 -0.895 0 C-N-CA 119.655 -0.818 . . . . 1.84 110.179 173.721 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -96.83 -39.76 9.26 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.783 -0.644 . . . . 2.07 111.446 -179.392 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -133.51 80.48 57.09 Favored Pre-proline 0 C--N 1.322 -0.61 0 N-CA-C 108.96 -0.755 . . . . 2.07 108.96 176.406 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_exo -66.89 160.61 46.11 Favored 'Trans proline' 0 CA--C 1.531 0.356 0 C-N-CA 123.788 2.992 . . . . 0.19 113.445 -172.172 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -91.82 153.18 19.74 Favored 'General case' 0 CA--C 1.52 -0.174 0 CA-C-N 115.846 -0.615 . . . . 0.2 110.623 -173.194 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 582' ' ' ILE . . . . . 0.419 HG12 ' HG2' ' A' ' 587' ' ' LYS . 70.0 mt -114.53 134.92 55.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 112.844 0.683 . . . . 0.54 112.844 -169.85 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 583' ' ' ILE . . . . . 0.461 HD12 HD11 ' A' ' 588' ' ' LEU . 16.5 mt -122.37 126.9 74.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.58 -0.736 . . . . 0.73 109.505 168.282 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 59.23 35.75 23.57 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.078 -0.51 . . . . 1.46 111.647 177.351 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 76.8 7.28 86.08 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 121.108 -0.568 . . . . 0.67 113.092 177.207 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -120.75 135.83 55.04 Favored 'General case' 0 N--CA 1.442 -0.836 0 N-CA-C 109.832 -0.432 . . . . 1.93 109.832 179.864 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 587' ' ' LYS . . . . . 0.419 ' HG2' HG12 ' A' ' 582' ' ' ILE . 43.7 mtmt -82.4 127.28 33.11 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.08 -0.509 . . . . 2.12 111.969 -171.348 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 588' ' ' LEU . . . . . 0.461 HD11 HD12 ' A' ' 583' ' ' ILE . 38.4 mt -95.99 137.4 35.11 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.577 -0.738 . . . . 0.28 109.392 175.001 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 589' ' ' LEU . . . . . 0.595 ' HB3' ' SG ' ' A' ' 525' ' ' CYS . 46.6 tp -89.86 109.91 20.89 Favored 'General case' 0 C--N 1.311 -1.07 0 C-N-CA 119.724 -0.79 . . . . 0.38 108.958 173.012 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 590' ' ' ILE . . . . . 0.47 ' HB ' ' CB ' ' A' ' 576' ' ' TYR . 43.0 mt -97.52 115.63 37.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 108.199 -1.037 . . . . 0.17 108.199 177.758 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 591' ' ' ARG . . . . . 0.615 ' HA ' HG13 ' A' ' 573' ' ' VAL . 15.2 ptm180 -146.57 159.29 43.63 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.287 0.565 . . . . 3.0 112.406 -173.17 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 592' ' ' MET . . . . . 0.499 ' HG2' HG11 ' A' ' 573' ' ' VAL . 1.2 mmt -64.19 134.58 55.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.235 -0.893 . . . . 0.33 110.55 -175.331 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 32.3 t -87.9 134.01 33.79 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.07 0.462 . . . . 1.04 110.835 176.786 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 17.3 p -95.96 -0.29 50.89 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.663 0.744 . . . . 1.6 109.781 173.651 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 72.2 mtp180 -95.0 -36.69 11.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.194 -0.912 . . . . 2.94 111.345 -176.913 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 47.6 m-85 -122.22 132.48 54.46 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.721 0.296 . . . . 0.93 111.018 -178.784 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -92.07 -36.58 13.27 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.924 -0.58 . . . . 3.4 109.872 171.171 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -147.67 147.53 30.07 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.371 -0.831 . . . . 2.02 110.218 -179.856 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 599' ' ' LEU . . . . . 0.444 HD22 HD12 ' A' ' 551' ' ' ILE . 92.9 mt -92.49 122.63 35.11 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.021 -0.536 . . . . 1.02 110.417 -179.494 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -99.17 98.12 9.15 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.001 -0.545 . . . . 2.87 110.156 -179.485 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 601' ' ' LEU . . . . . 0.539 HD21 ' O ' ' A' ' 550' ' ' TYR . 34.4 mt -86.69 141.1 29.16 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.558 0.694 . . . . 1.47 111.659 -177.02 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 7.2 tmtm? -72.3 -22.42 61.2 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 114.457 -1.247 . . . . 5.4 109.466 174.152 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -82.97 157.58 66.07 Favored Pre-proline 0 C--N 1.323 -0.556 0 CA-C-N 115.168 -0.923 . . . . 5.81 109.939 178.673 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 604' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -58.14 144.39 95.23 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 122.31 2.007 . . . . 6.24 111.172 174.541 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 605' ' ' GLY . . . . . . . . . . . . . . . -76.04 54.65 3.08 Favored Glycine 0 CA--C 1.521 0.44 0 N-CA-C 114.291 0.477 . . . . 6.9 114.291 -171.102 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . 0.434 ' N ' ' HD2' ' A' ' 606' ' ' LYS . 1.1 mptm? 62.64 179.04 0.14 Allowed 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 121.502 0.668 . . . . 8.87 112.614 173.863 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -171.32 -33.49 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.081 -0.963 . . . . 9.21 109.574 176.713 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 42.9 t 63.97 -80.2 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.211 0 CA-C-N 115.449 -0.796 . . . . 9.63 111.366 178.638 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -131.15 -45.77 1.01 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.367 -0.379 . . . . 9.47 110.412 179.223 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -144.18 151.59 39.71 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.073 -0.512 . . . . 9.11 110.34 -179.752 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 48.5 mm -78.62 84.1 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.286 0.565 . . . . 8.31 110.031 179.223 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 612' ' ' ILE . . . . . 0.439 ' CD1' ' HA ' ' A' ' 620' ' ' GLU . 79.1 mt -113.04 95.2 3.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.661 -0.7 . . . . 8.86 109.475 177.842 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -81.2 56.78 2.96 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.918 -0.583 . . . . 10.28 111.144 -175.56 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -146.29 -67.87 0.28 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.683 -0.689 . . . . 10.41 110.365 177.294 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 615' ' ' ILE . . . . . . . . . . . . . 66.7 mt 65.72 -67.12 0.16 Allowed 'Isoleucine or valine' 0 CA--C 1.528 0.103 0 CA-C-N 115.629 -0.714 . . . . 8.61 111.861 -177.808 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 39.6 m170 -92.89 64.64 4.01 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.28 0.562 . . . . 6.75 109.879 179.378 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 36.0 t 173.61 -43.83 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 114.55 -1.204 . . . . 6.99 108.51 -176.361 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 618' ' ' GLN . . . . . . . . . . . . . 17.0 mm-40 -127.56 129.34 47.16 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.025 -0.989 . . . . 9.26 109.37 176.254 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 619' ' ' ARG . . . . . 0.524 ' NE ' ' HA ' ' A' ' 619' ' ' ARG . 3.2 mmp_? -69.82 141.45 53.3 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.127 0.489 . . . . 12.9 111.318 -177.353 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 620' ' ' GLU . . . . . 0.439 ' HA ' ' CD1' ' A' ' 612' ' ' ILE . 11.5 pt-20 -79.71 129.36 34.41 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.627 -0.715 . . . . 11.34 110.364 178.455 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.854 -0.593 . . . . 11.46 110.871 -177.266 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.648 0 N-CA-C 112.142 -0.383 . . . . 6.72 112.142 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . -143.69 -46.68 0.28 Allowed 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 110.473 -0.195 . . . . 5.43 110.473 -179.065 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 1.3 mpt? 57.95 44.7 19.33 Favored 'General case' 0 C--O 1.239 0.52 0 CA-C-O 121.531 0.682 . . . . 6.23 110.4 -179.263 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -96.85 169.36 9.9 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.011 -0.995 . . . . 2.28 110.266 -179.909 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 514' ' ' GLN . . . . . 0.462 ' HB3' ' O ' ' A' ' 518' ' ' ALA . 45.9 mt-30 63.53 -91.22 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.188 0 O-C-N 123.773 0.67 . . . . 5.14 110.369 -176.779 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 27.5 mmm180 65.91 179.42 0.2 Allowed 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.788 -0.642 . . . . 6.6 111.32 177.703 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 516' ' ' LYS . . . . . 0.585 ' N ' ' HE2' ' A' ' 516' ' ' LYS . 0.4 OUTLIER 62.24 23.14 13.66 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 116.137 -0.483 . . . . 5.25 111.0 -178.985 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . 88.57 -31.04 5.04 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.881 -0.675 . . . . 3.29 113.1 177.436 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 518' ' ' ALA . . . . . 0.462 ' O ' ' HB3' ' A' ' 514' ' ' GLN . . . -125.7 -87.32 0.61 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 111.766 0.284 . . . . 2.38 111.766 -175.84 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 76.92 140.22 1.12 Allowed Glycine 0 CA--C 1.52 0.349 0 C-N-CA 120.839 -0.696 . . . . 1.58 112.026 -174.812 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 82.0 mtt180 -147.1 150.77 35.66 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 122.558 -0.378 . . . . 2.39 110.943 -179.462 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 71.8 t -100.61 134.09 41.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.992 -0.549 . . . . 0.44 110.454 175.475 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 522' ' ' VAL . . . . . . . . . . . . . 58.5 t -109.31 134.27 51.88 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 N-CA-C 109.128 -0.693 . . . . 0.25 109.128 174.978 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 11.6 p-80 -110.73 140.35 45.2 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.357 0.599 . . . . 1.75 110.831 -178.447 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 524' ' ' ILE . . . . . 0.535 HD12 HG13 ' A' ' 537' ' ' VAL . 79.0 mt -112.95 130.03 67.54 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.876 0 CA-C-N 115.285 -0.87 . . . . 0.28 110.735 -177.153 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 45.9 m -114.12 174.44 5.94 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.845 -0.616 . . . . 1.28 110.432 -178.337 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 68.8 27.64 5.68 Favored 'General case' 0 N--CA 1.468 0.441 0 O-C-N 123.593 0.558 . . . . 1.22 111.131 178.192 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 527' ' ' LEU . . . . . 0.508 HD21 HD13 ' A' ' 588' ' ' LEU . 79.2 mt -84.51 120.26 74.0 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 116.217 -0.447 . . . . 0.6 111.107 -177.864 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 528' ' ' PRO . . . . . 0.504 ' HD2' ' SG ' ' A' ' 532' ' ' CYS . 37.1 Cg_endo -69.1 132.88 25.37 Favored 'Trans proline' 0 C--O 1.238 0.485 0 C-N-CA 122.566 2.178 . . . . 0.62 112.059 174.383 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -68.73 132.09 46.26 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.575 -0.739 . . . . 2.98 111.371 -179.386 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 79.38 -18.28 6.98 Favored Glycine 0 CA--C 1.517 0.191 0 CA-C-N 116.172 -0.467 . . . . 0.94 113.594 175.815 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 15.6 m -89.29 -34.33 16.63 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.889 0.375 . . . . 1.17 110.952 -177.757 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 532' ' ' CYS . . . . . 0.504 ' SG ' ' HD2' ' A' ' 528' ' ' PRO . 55.5 m -86.02 137.24 32.85 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.253 -0.43 . . . . 0.77 110.821 -179.934 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 69.6 p -105.78 170.39 7.93 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.677 -0.49 . . . . 0.54 109.677 175.974 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -60.19 -43.42 95.91 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.313 0.578 . . . . 1.32 109.599 178.298 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -59.77 -43.52 94.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 114.932 -1.031 . . . . 1.95 111.661 -177.418 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 536' ' ' ASP . . . . . 0.555 ' O ' ' HG ' ' A' ' 540' ' ' LEU . 38.6 m-20 -59.56 -48.56 81.2 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 120.848 0.356 . . . . 0.52 111.237 -176.283 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 537' ' ' VAL . . . . . 0.535 HG13 HD12 ' A' ' 524' ' ' ILE . 45.7 t -63.01 -45.72 98.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.774 -0.648 . . . . 0.25 110.537 -176.041 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 88.0 mt -66.91 -42.74 89.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.732 -0.667 . . . . 0.24 110.651 -179.812 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 539' ' ' ASN . . . . . 0.522 ' O ' ' HD3' ' A' ' 543' ' ' PRO . 0.9 OUTLIER -65.36 -28.3 69.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.074 -0.512 . . . . 1.07 112.132 -178.488 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 540' ' ' LEU . . . . . 0.555 ' HG ' ' O ' ' A' ' 536' ' ' ASP . 55.7 mt -73.58 -34.49 65.13 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.856 -0.338 . . . . 0.36 111.817 -179.538 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -77.22 -39.93 25.6 Favored Glycine 0 N--CA 1.453 -0.186 0 C-N-CA 120.287 -0.959 . . . . 0.22 112.329 -179.531 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 542' ' ' LEU . . . . . 0.634 ' HA ' ' O ' ' A' ' 545' ' ' GLY . 81.0 mt -49.01 -44.11 70.33 Favored Pre-proline 0 CA--C 1.546 0.793 0 N-CA-C 115.106 1.521 . . . . 0.25 115.106 -174.28 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 543' ' ' PRO . . . . . 0.522 ' HD3' ' O ' ' A' ' 539' ' ' ASN . 34.3 Cg_exo -47.98 -34.27 22.42 Favored 'Trans proline' 0 C--N 1.358 1.071 0 C-N-CA 122.501 2.134 . . . . 0.19 115.792 -173.553 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 544' ' ' PHE . . . . . 0.521 ' HB2' ' CB ' ' A' ' 572' ' ' MET . 95.5 m-85 -111.44 -18.74 12.8 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 119.824 -0.751 . . . . 0.35 112.854 177.367 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 545' ' ' GLY . . . . . 0.634 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . -148.43 149.61 21.67 Favored Glycine 0 C--O 1.224 -0.482 0 C-N-CA 120.821 -0.704 . . . . 1.14 113.104 178.713 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 546' ' ' LYS . . . . . 0.546 ' HG2' ' O ' ' A' ' 616' ' ' HIS . 23.5 tptm -85.7 137.18 33.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.012 0.434 . . . . 1.56 111.598 -177.937 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 547' ' ' VAL . . . . . 0.522 ' HA ' ' O ' ' A' ' 562' ' ' GLU . 97.4 t -90.1 136.66 23.25 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 CA-C-N 115.182 -0.917 . . . . 0.25 111.215 179.687 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 548' ' ' THR . . . . . 0.53 HG22 ' CG ' ' A' ' 616' ' ' HIS . 26.5 p -104.38 -41.58 5.71 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.75 -0.659 . . . . 0.37 112.044 176.46 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 61.8 m-80 -147.81 165.21 31.25 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.267 -0.642 . . . . 1.43 109.267 -178.231 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 550' ' ' TYR . . . . . 0.481 ' O ' HD21 ' A' ' 601' ' ' LEU . 12.1 p90 -145.16 149.0 34.2 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.706 -0.397 . . . . 0.47 110.859 176.58 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 551' ' ' ILE . . . . . 0.42 HD12 HD22 ' A' ' 599' ' ' LEU . 23.7 mt -136.45 123.54 32.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 109.135 -0.691 . . . . 0.37 109.135 174.215 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 552' ' ' LEU . . . . . . . . . . . . . 84.1 mt -106.64 111.31 23.8 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 116.028 -0.533 . . . . 0.45 111.387 -176.484 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 26.2 mmt -107.93 83.89 1.87 Allowed 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.39 -0.596 . . . . 1.18 109.39 174.121 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -68.32 -30.75 69.81 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.524 -0.762 . . . . 1.45 110.597 -176.591 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 68.4 p -60.65 -31.52 70.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.966 -0.561 . . . . 1.11 111.261 179.144 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 70.8 p -98.39 9.23 43.57 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.073 0.463 . . . . 0.88 110.984 178.371 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 10.7 m120 55.11 40.37 31.83 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 115.195 -0.911 . . . . 2.35 111.116 178.045 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -148.86 162.13 40.44 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.009 0.433 . . . . 2.07 110.601 -176.55 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -137.63 144.47 41.92 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.973 -0.558 . . . . 0.27 110.347 179.943 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 560' ' ' PHE . . . . . 0.424 ' HB3' HD21 ' A' ' 599' ' ' LEU . 90.6 m-85 -114.45 126.84 55.42 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.181 -0.463 . . . . 0.33 109.856 178.239 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 15.3 tp -126.27 126.44 44.0 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.366 -0.605 . . . . 0.22 109.366 -176.126 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 562' ' ' GLU . . . . . 0.522 ' O ' ' HA ' ' A' ' 547' ' ' VAL . 36.0 tt0 -99.45 138.76 36.08 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.555 0.217 . . . . 1.85 110.921 -173.013 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 563' ' ' MET . . . . . 0.468 ' HA ' ' O ' ' A' ' 546' ' ' LYS . 15.7 mmt -113.62 137.16 51.98 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.018 -0.537 . . . . 0.96 110.71 -176.1 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -65.7 -29.78 70.37 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-N 115.155 -0.93 . . . . 0.36 111.965 -176.546 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 565' ' ' TYR . . . . . 0.437 ' CE2' ' HG2' ' A' ' 516' ' ' LYS . 54.4 m-85 -121.62 141.87 50.68 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 116.119 -0.491 . . . . 1.27 109.819 -176.437 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 566' ' ' THR . . . . . 0.448 ' O ' ' HG3' ' A' ' 570' ' ' GLN . 8.0 t -64.33 -35.53 81.16 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.542 -0.54 . . . . 0.52 109.542 175.649 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -66.15 -38.6 88.5 Favored 'General case' 0 CA--C 1.515 -0.398 0 CA-C-N 115.879 -0.6 . . . . 1.91 110.496 175.973 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 568' ' ' ALA . . . . . 0.586 ' HB1' ' CA ' ' A' ' 545' ' ' GLY . . . -62.18 -44.39 96.71 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.652 -0.704 . . . . 0.28 110.422 179.469 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . 0.442 ' HB1' ' HE1' ' A' ' 592' ' ' MET . . . -67.75 -46.44 72.09 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.69 -0.686 . . . . 0.19 111.509 -179.313 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 570' ' ' GLN . . . . . 0.517 ' O ' ' HG2' ' A' ' 574' ' ' GLN . 76.3 mt-30 -68.14 -46.0 72.03 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.415 -0.357 . . . . 1.21 111.545 -176.828 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -62.25 -42.17 99.09 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-N 116.309 -0.405 . . . . 0.31 111.602 -174.301 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 572' ' ' MET . . . . . 0.521 ' CB ' ' HB2' ' A' ' 544' ' ' PHE . 15.8 ptp -65.88 -45.06 83.47 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 116.341 -0.39 . . . . 0.62 110.307 -178.978 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 573' ' ' VAL . . . . . 0.647 HG13 ' HA ' ' A' ' 591' ' ' ARG . 98.1 t -66.94 -36.84 78.15 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.513 0 CA-C-N 116.246 -0.433 . . . . 0.21 111.504 -177.059 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 574' ' ' GLN . . . . . 0.517 ' HG2' ' O ' ' A' ' 570' ' ' GLN . 15.9 mm100 -58.85 -38.12 78.01 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.511 -0.552 . . . . 1.9 109.511 178.127 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 72.5 t80 -69.38 -49.65 53.45 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.794 -0.639 . . . . 0.52 111.079 172.984 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 576' ' ' TYR . . . . . 0.476 ' CE1' ' HB2' ' A' ' 572' ' ' MET . 20.6 m-85 -73.4 -16.73 61.32 Favored 'General case' 0 C--O 1.222 -0.36 0 N-CA-C 113.012 0.745 . . . . 0.34 113.012 -172.109 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 577' ' ' GLN . . . . . 0.58 ' NE2' ' HB3' ' A' ' 591' ' ' ARG . 25.6 mm-40 -76.14 -29.26 57.73 Favored 'General case' 0 C--N 1.319 -0.723 0 O-C-N 121.872 -0.517 . . . . 1.84 110.747 173.909 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -98.06 -39.54 8.87 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.86 0.362 . . . . 2.07 111.258 178.622 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 59.2 mtpt -130.0 80.57 70.84 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-N 116.166 -0.47 . . . . 2.07 110.125 177.112 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_exo -71.2 160.1 50.02 Favored 'Trans proline' 0 C--O 1.233 0.266 0 C-N-CA 123.553 2.836 . . . . 0.19 112.195 -176.005 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -92.31 152.58 19.72 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.353 -0.385 . . . . 0.2 110.188 -175.432 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 60.7 mt -119.6 129.67 75.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 N-CA-C 111.991 0.367 . . . . 0.54 111.991 -170.327 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 583' ' ' ILE . . . . . 0.588 HD12 HD11 ' A' ' 588' ' ' LEU . 31.7 mt -121.66 120.63 62.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.052 -0.522 . . . . 0.73 110.582 174.544 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 584' ' ' ASN . . . . . 0.48 HD22 ' N ' ' A' ' 584' ' ' ASN . 0.8 OUTLIER 59.32 34.28 22.85 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 116.245 -0.434 . . . . 1.46 111.162 177.602 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 81.78 4.39 90.34 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.785 -0.722 . . . . 0.67 112.606 179.682 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 42.2 mm-40 -102.45 125.9 49.31 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.999 -0.371 . . . . 1.93 109.999 178.095 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 61.4 mttp -79.62 112.32 16.77 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.936 -0.394 . . . . 2.12 109.936 178.521 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 588' ' ' LEU . . . . . 0.588 HD11 HD12 ' A' ' 583' ' ' ILE . 22.9 mt -85.82 121.06 27.94 Favored 'General case' 0 CA--C 1.501 -0.91 0 CA-C-N 115.799 -0.637 . . . . 0.28 109.767 179.402 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 24.9 tp -84.65 107.34 16.81 Favored 'General case' 0 N--CA 1.43 -1.428 0 N-CA-C 108.128 -1.064 . . . . 0.38 108.128 174.747 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 590' ' ' ILE . . . . . 0.436 ' HB ' ' CB ' ' A' ' 576' ' ' TYR . 34.8 mt -96.3 116.12 37.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 108.286 -1.005 . . . . 0.17 108.286 179.697 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 591' ' ' ARG . . . . . 0.647 ' HA ' HG13 ' A' ' 573' ' ' VAL . 26.6 ptt180 -142.37 158.97 43.13 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 113.775 1.028 . . . . 3.0 113.775 -172.143 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 592' ' ' MET . . . . . 0.622 ' HG2' HG11 ' A' ' 573' ' ' VAL . 0.1 OUTLIER -65.34 131.85 47.51 Favored 'General case' 0 N--CA 1.461 0.113 0 CA-C-N 114.315 -1.311 . . . . 0.33 111.286 -174.736 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 20.6 m -87.64 128.65 35.28 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.77 0.319 . . . . 1.04 111.078 176.32 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 11.6 p -98.89 -17.77 18.21 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.166 0.508 . . . . 1.6 109.974 171.531 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 76.2 mtp180 -79.32 -41.98 26.75 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.717 -0.674 . . . . 2.94 111.133 -179.874 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -109.88 129.69 55.62 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.903 -0.319 . . . . 0.93 110.673 -178.011 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp -95.17 -39.71 9.96 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.077 -0.51 . . . . 3.4 110.284 168.33 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 598' ' ' GLU . . . . . 0.435 ' HB3' ' CD ' ' A' ' 514' ' ' GLN . 0.0 OUTLIER -134.63 145.79 48.94 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.545 -0.752 . . . . 2.02 111.536 -175.778 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 599' ' ' LEU . . . . . 0.424 HD21 ' HB3' ' A' ' 560' ' ' PHE . 94.8 mt -95.35 103.61 15.48 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.664 -0.698 . . . . 1.02 110.084 171.225 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -86.36 83.95 7.56 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 116.122 -0.49 . . . . 2.87 110.43 -177.261 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 601' ' ' LEU . . . . . 0.481 HD21 ' O ' ' A' ' 550' ' ' TYR . 58.1 mt -66.64 97.72 0.47 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.86 -0.609 . . . . 1.47 110.634 178.505 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.54 -10.38 56.06 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.782 -0.644 . . . . 5.4 109.739 177.104 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 47.3 mtmt -80.75 131.34 60.86 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 115.449 -0.796 . . . . 5.81 109.858 175.758 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 604' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -73.23 104.24 1.75 Allowed 'Trans proline' 0 N--CA 1.461 -0.431 0 C-N-CA 122.46 2.107 . . . . 6.24 111.672 176.444 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 605' ' ' GLY . . . . . . . . . . . . . . . -85.71 -97.29 0.75 Allowed Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.758 -0.734 . . . . 6.9 112.177 -179.431 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 30.9 mmtp 57.83 88.73 0.06 Allowed 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 121.409 0.623 . . . . 8.87 111.526 179.644 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -95.08 165.77 12.26 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.384 -0.826 . . . . 9.21 109.977 -178.919 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 46.2 t -50.14 -46.85 24.87 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 CA-C-O 121.088 0.471 . . . . 9.63 109.893 174.585 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -72.18 110.61 6.75 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 109.015 -0.735 . . . . 9.47 109.015 173.345 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -46.15 107.24 0.1 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.317 1.011 . . . . 9.11 113.261 -172.97 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 61.3 mt -79.29 96.64 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 N-CA-C 108.495 -0.928 . . . . 8.31 108.495 171.82 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 612' ' ' ILE . . . . . 0.49 HD11 ' HG3' ' A' ' 621' ' ' ARG . 34.5 mt -81.42 102.87 7.73 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.732 0 CA-C-N 116.089 -0.505 . . . . 8.86 110.243 -174.168 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 -85.37 -16.67 39.11 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.754 -0.657 . . . . 10.28 110.422 -178.598 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -82.46 -77.99 0.22 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.025 -0.534 . . . . 10.41 110.04 177.269 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 615' ' ' ILE . . . . . . . . . . . . . 68.5 mt -77.32 108.46 10.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 121.059 0.457 . . . . 8.61 110.161 177.547 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 616' ' ' HIS . . . . . 0.546 ' O ' ' HG2' ' A' ' 546' ' ' LYS . 65.7 m-70 -95.64 0.78 53.15 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.393 -0.367 . . . . 6.75 111.275 -179.522 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 5.6 m -83.23 170.48 14.62 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.724 -0.473 . . . . 6.99 109.724 175.602 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 618' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 63.47 -171.44 0.17 Allowed 'General case' 0 CA--C 1.53 0.202 0 CA-C-O 121.258 0.551 . . . . 9.26 111.707 175.748 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 24.5 mmt85 -121.89 84.01 2.18 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.702 -0.681 . . . . 12.9 109.321 177.641 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 620' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 64.26 -177.01 0.16 Allowed 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.702 -0.681 . . . . 11.34 110.49 -174.356 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 621' ' ' ARG . . . . . 0.49 ' HG3' HD11 ' A' ' 612' ' ' ILE . 81.2 mtt180 . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.833 -0.603 . . . . 11.46 109.887 179.769 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.624 0 N-CA-C 111.752 -0.539 . . . . 6.72 111.752 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . -78.37 88.79 4.37 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.897 0.379 . . . . 5.43 110.278 179.917 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 19.7 ptp -154.49 172.04 18.43 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.992 -0.549 . . . . 6.23 110.253 -178.046 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -98.47 -137.11 0.29 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.335 -0.393 . . . . 2.28 111.47 -177.67 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 514' ' ' GLN . . . . . 0.623 ' HG2' ' O ' ' A' ' 518' ' ' ALA . 25.9 mt-30 69.29 7.33 6.17 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 123.377 0.671 . . . . 5.14 110.782 -175.944 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 32.6 mmt180 -66.56 -40.05 88.82 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.786 -0.643 . . . . 6.6 110.764 -178.181 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 516' ' ' LYS . . . . . 0.59 ' HB2' ' O ' ' A' ' 564' ' ' ALA . 12.7 mptt -85.66 -0.41 55.07 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.644 -0.707 . . . . 5.25 111.075 178.624 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . 136.62 -91.13 0.22 Allowed Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.306 -0.949 . . . . 3.29 113.041 177.964 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 518' ' ' ALA . . . . . 0.623 ' O ' ' HG2' ' A' ' 514' ' ' GLN . . . -74.59 -65.44 0.86 Allowed 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 111.991 0.367 . . . . 2.38 111.991 -173.313 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 72.1 101.4 0.06 OUTLIER Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.524 -0.846 . . . . 1.58 111.206 -172.848 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 520' ' ' ARG . . . . . 0.668 ' HA ' ' O ' ' A' ' 597' ' ' LYS . 58.9 mtp180 -136.1 141.33 44.18 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.965 0.412 . . . . 2.39 110.405 -178.532 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 521' ' ' VAL . . . . . 0.538 HG22 ' HG ' ' A' ' 599' ' ' LEU . 65.4 t -95.21 134.44 32.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.657 -0.701 . . . . 0.44 111.715 -174.312 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 522' ' ' VAL . . . . . . . . . . . . . 95.7 t -104.68 134.37 46.24 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-N 114.954 -1.021 . . . . 0.25 108.939 172.596 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 523' ' ' HIS . . . . . 0.421 ' CE1' ' HG3' ' A' ' 591' ' ' ARG . 5.8 p-80 -108.5 136.89 47.36 Favored 'General case' 0 C--N 1.318 -0.765 0 C-N-CA 120.185 -0.606 . . . . 1.75 109.709 179.582 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 524' ' ' ILE . . . . . 0.568 HD12 HG13 ' A' ' 537' ' ' VAL . 76.0 mt -113.99 132.32 63.37 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.949 0 CA-C-N 115.859 -0.61 . . . . 0.28 110.293 -179.237 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 10.9 p -126.63 176.6 7.09 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.704 -0.68 . . . . 1.28 110.426 -176.943 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 14.5 m120 69.61 26.69 4.96 Favored 'General case' 0 N--CA 1.466 0.348 0 O-C-N 123.78 0.675 . . . . 1.22 110.381 -177.501 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 87.7 mt -85.54 120.9 73.46 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 115.774 -0.648 . . . . 0.6 110.844 -176.289 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 528' ' ' PRO . . . . . 0.656 ' HD2' ' SG ' ' A' ' 532' ' ' CYS . 16.9 Cg_exo -68.67 131.08 22.0 Favored 'Trans proline' 0 C--O 1.236 0.412 0 C-N-CA 122.214 1.942 . . . . 0.62 111.512 172.295 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -69.4 134.93 49.6 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.847 -0.615 . . . . 2.98 111.433 179.844 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 84.6 -18.34 25.48 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 121.16 -0.543 . . . . 0.94 112.954 176.781 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 5.8 m -94.51 -35.29 12.35 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.108 0.48 . . . . 1.17 110.871 -179.198 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 532' ' ' CYS . . . . . 0.656 ' SG ' ' HD2' ' A' ' 528' ' ' PRO . 35.9 m -86.19 130.32 34.56 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.854 -0.612 . . . . 0.77 110.894 -177.998 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 80.6 p -108.19 169.99 8.29 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.556 -0.535 . . . . 0.54 109.556 174.586 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 534' ' ' GLU . . . . . 0.428 ' HG3' ' N ' ' A' ' 535' ' ' ASN . 7.9 pt-20 -61.37 -37.9 85.07 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.936 -0.765 . . . . 1.32 108.936 174.15 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 535' ' ' ASN . . . . . 0.428 ' N ' ' HG3' ' A' ' 534' ' ' GLU . 4.4 m-20 -59.31 -44.61 92.53 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.148 -0.933 . . . . 1.95 110.712 179.612 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 536' ' ' ASP . . . . . 0.686 ' O ' ' HG ' ' A' ' 540' ' ' LEU . 30.3 m-20 -68.23 -48.07 66.11 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.514 -0.474 . . . . 0.52 111.121 -177.586 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 537' ' ' VAL . . . . . 0.568 HG13 HD12 ' A' ' 524' ' ' ILE . 77.2 t -63.56 -46.01 96.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.146 -0.479 . . . . 0.25 110.901 -176.717 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 97.7 mt -67.49 -45.35 85.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.01 -0.541 . . . . 0.24 111.25 -179.805 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 539' ' ' ASN . . . . . 0.555 ' O ' ' HD3' ' A' ' 543' ' ' PRO . 79.8 m-20 -62.77 -27.63 69.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.29 -0.414 . . . . 1.07 112.036 -178.461 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 540' ' ' LEU . . . . . 0.686 ' HG ' ' O ' ' A' ' 536' ' ' ASP . 45.5 mt -71.17 -35.65 71.71 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 111.992 0.367 . . . . 0.36 111.992 -179.631 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -79.25 -34.36 33.07 Favored Glycine 0 N--CA 1.455 -0.069 0 C-N-CA 120.336 -0.935 . . . . 0.22 112.199 -179.12 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 542' ' ' LEU . . . . . 0.553 ' HA ' ' O ' ' A' ' 545' ' ' GLY . 62.2 mt -48.33 -46.4 67.96 Favored Pre-proline 0 CA--C 1.545 0.783 0 N-CA-C 114.87 1.433 . . . . 0.25 114.87 -176.164 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 543' ' ' PRO . . . . . 0.555 ' HD3' ' O ' ' A' ' 539' ' ' ASN . 41.7 Cg_exo -47.51 -34.05 19.01 Favored 'Trans proline' 0 C--N 1.357 1.021 0 C-N-CA 122.498 2.132 . . . . 0.19 115.79 -172.9 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 544' ' ' PHE . . . . . 0.436 ' HB2' ' CB ' ' A' ' 572' ' ' MET . 95.7 m-85 -111.12 -17.81 13.15 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 113.059 0.762 . . . . 0.35 113.059 178.527 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 545' ' ' GLY . . . . . 0.553 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . -150.76 144.32 11.67 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.952 -0.642 . . . . 1.14 112.295 176.153 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 55.8 tttp -81.74 143.98 31.44 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.129 0.49 . . . . 1.56 111.499 -177.408 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 83.3 t -97.06 136.68 26.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 114.998 -1.001 . . . . 0.25 110.883 -178.553 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 548' ' ' THR . . . . . 0.591 ' OG1' ' HG3' ' A' ' 562' ' ' GLU . 75.9 p -106.15 -38.52 6.25 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.218 -0.446 . . . . 0.37 110.978 177.83 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 46.7 m-80 -147.64 166.61 26.89 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 109.65 -0.5 . . . . 1.43 109.65 -176.546 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 10.1 p90 -152.05 151.47 31.16 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.895 -0.322 . . . . 0.47 111.05 179.282 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 551' ' ' ILE . . . . . 0.526 HD12 HD22 ' A' ' 599' ' ' LEU . 19.7 mt -136.22 124.22 35.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.12 -0.491 . . . . 0.37 109.691 174.043 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 552' ' ' LEU . . . . . . . . . . . . . 68.5 mt -109.02 111.67 23.44 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.828 0.347 . . . . 0.45 111.333 -179.371 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 62.1 mtt -108.89 86.96 2.38 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.235 0.54 . . . . 1.18 110.123 175.09 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 554' ' ' LYS . . . . . 0.417 ' HD2' ' H ' ' A' ' 554' ' ' LYS . 0.1 OUTLIER -68.22 -30.08 69.06 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.862 -0.608 . . . . 1.45 110.397 -177.133 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 70.1 p -63.32 -34.76 78.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.704 -0.68 . . . . 1.11 111.783 -178.488 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 556' ' ' THR . . . . . 0.401 ' O ' ' HG3' ' A' ' 558' ' ' GLN . 76.0 p -98.06 3.51 49.3 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.999 0.428 . . . . 0.88 110.832 -178.729 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 57.87 42.4 23.19 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.117 -0.947 . . . . 2.35 110.728 -178.121 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 558' ' ' GLN . . . . . 0.401 ' HG3' ' O ' ' A' ' 556' ' ' THR . 49.1 mt-30 -141.87 148.97 39.62 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.207 -0.451 . . . . 2.07 110.557 -176.803 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -129.93 143.56 50.87 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 116.304 -0.407 . . . . 0.27 110.085 176.946 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 560' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -120.79 126.4 50.03 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.198 -0.455 . . . . 0.33 109.871 -179.974 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 14.2 tp -121.84 125.41 46.4 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.847 -0.615 . . . . 0.22 109.776 -175.696 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 562' ' ' GLU . . . . . 0.591 ' HG3' ' OG1' ' A' ' 548' ' ' THR . 8.8 tp10 -100.01 137.73 38.06 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.092 -0.504 . . . . 1.85 110.326 -174.201 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 563' ' ' MET . . . . . . . . . . . . . 19.3 mmt -113.38 161.71 16.96 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.252 0.549 . . . . 0.96 111.795 -169.901 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 564' ' ' ALA . . . . . 0.59 ' O ' ' HB2' ' A' ' 516' ' ' LYS . . . -75.88 -46.71 28.73 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.743 -0.662 . . . . 0.36 111.642 -179.11 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -120.71 155.76 33.2 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.434 -0.348 . . . . 1.27 110.157 -176.558 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 566' ' ' THR . . . . . 0.613 ' HB ' ' CB ' ' A' ' 518' ' ' ALA . 11.4 t -63.49 -39.59 94.86 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 110.108 -0.33 . . . . 0.52 110.108 175.163 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -66.43 -33.81 76.55 Favored 'General case' 0 C--O 1.224 -0.284 0 CA-C-N 116.32 -0.4 . . . . 1.91 110.665 178.278 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 568' ' ' ALA . . . . . 0.4 ' HB1' ' CA ' ' A' ' 545' ' ' GLY . . . -62.04 -45.65 92.63 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.013 0.435 . . . . 0.28 110.191 179.446 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -68.29 -46.45 70.3 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.535 -0.757 . . . . 0.19 111.62 -178.965 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 570' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -68.2 -45.97 71.92 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.61 -0.268 . . . . 1.21 111.403 -177.373 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -62.31 -42.16 99.14 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-N 116.308 -0.405 . . . . 0.31 111.386 -175.636 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 572' ' ' MET . . . . . 0.496 ' HG3' ' N ' ' A' ' 573' ' ' VAL . 16.3 ptp -66.76 -46.31 75.77 Favored 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 120.618 -0.433 . . . . 0.62 110.043 179.367 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 573' ' ' VAL . . . . . 0.784 HG13 ' HA ' ' A' ' 591' ' ' ARG . 45.8 t -66.93 -42.66 89.14 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.527 0 N-CA-C 112.175 0.435 . . . . 0.21 112.175 -173.985 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -61.35 -35.41 77.35 Favored 'General case' 0 C--N 1.319 -0.728 0 C-N-CA 120.266 -0.574 . . . . 1.9 110.042 178.039 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 55.9 t80 -66.43 -46.39 76.63 Favored 'General case' 0 C--O 1.216 -0.681 0 CA-C-N 116.018 -0.537 . . . . 0.52 110.299 172.971 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 576' ' ' TYR . . . . . 0.454 ' CE1' ' HB2' ' A' ' 572' ' ' MET . 21.1 m-85 -76.72 -17.34 59.15 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 112.629 0.603 . . . . 0.34 112.629 -175.59 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -78.51 -27.22 46.07 Favored 'General case' 0 C--N 1.32 -0.709 0 O-C-N 121.86 -0.525 . . . . 1.84 110.217 175.307 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -97.74 -39.15 9.19 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.997 -0.547 . . . . 2.07 110.873 177.429 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -130.61 82.42 64.92 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 115.732 -0.667 . . . . 2.07 109.519 176.918 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_exo -72.45 160.64 46.31 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 123.68 2.92 . . . . 0.19 113.223 -172.89 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 581' ' ' ALA . . . . . 0.451 ' HB1' HD22 ' A' ' 540' ' ' LEU . . . -92.49 152.9 19.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.796 -0.638 . . . . 0.2 110.415 -175.356 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 582' ' ' ILE . . . . . 0.439 HG12 ' HG2' ' A' ' 587' ' ' LYS . 33.9 mt -120.93 133.0 69.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 112.512 0.56 . . . . 0.54 112.512 -168.212 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 583' ' ' ILE . . . . . 0.452 HD12 HD11 ' A' ' 588' ' ' LEU . 42.2 mt -122.19 119.55 58.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 115.993 -0.549 . . . . 0.73 110.055 171.248 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 56.16 35.6 25.97 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 112.132 0.419 . . . . 1.46 112.132 177.396 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 85.71 3.48 86.03 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.611 -0.804 . . . . 0.67 112.751 178.364 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 586' ' ' GLU . . . . . 0.403 ' O ' ' HA ' ' A' ' 582' ' ' ILE . 20.0 mm-40 -102.14 125.69 48.9 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.718 -0.475 . . . . 1.93 109.718 177.402 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 587' ' ' LYS . . . . . 0.439 ' HG2' HG12 ' A' ' 582' ' ' ILE . 38.1 mtmm -86.09 107.61 17.91 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.809 -0.441 . . . . 2.12 109.809 179.189 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 588' ' ' LEU . . . . . 0.452 HD11 HD12 ' A' ' 583' ' ' ILE . 38.8 mt -81.83 131.4 35.26 Favored 'General case' 0 CA--C 1.505 -0.762 0 CA-C-N 116.022 -0.535 . . . . 0.28 110.113 -178.027 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 34.6 tp -83.64 107.62 16.2 Favored 'General case' 0 N--CA 1.434 -1.24 0 N-CA-C 108.414 -0.958 . . . . 0.38 108.414 171.53 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 590' ' ' ILE . . . . . . . . . . . . . 59.6 mt -95.88 115.18 34.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 N-CA-C 107.791 -1.188 . . . . 0.17 107.791 176.141 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 591' ' ' ARG . . . . . 0.784 ' HA ' HG13 ' A' ' 573' ' ' VAL . 20.4 ptt180 -143.88 161.39 38.81 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.708 0.633 . . . . 3.0 112.708 -171.871 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 592' ' ' MET . . . . . 0.657 ' HG2' HG11 ' A' ' 573' ' ' VAL . 0.3 OUTLIER -63.28 139.27 58.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.377 -0.828 . . . . 0.33 110.63 -174.429 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 31.3 t -87.16 127.05 35.15 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 110.053 -0.351 . . . . 1.04 110.053 177.373 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 21.1 p -93.71 -18.25 22.32 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.114 -0.494 . . . . 1.6 110.761 178.076 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -84.04 -41.81 16.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.044 -0.525 . . . . 2.94 110.972 -178.309 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -108.06 133.39 52.42 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 110.032 -0.358 . . . . 0.93 110.032 -179.44 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 597' ' ' LYS . . . . . 0.668 ' O ' ' HA ' ' A' ' 520' ' ' ARG . 12.2 ttpp -91.85 -41.64 10.52 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.402 -0.592 . . . . 3.4 109.402 172.568 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 598' ' ' GLU . . . . . 0.446 ' HA ' ' OE2' ' A' ' 562' ' ' GLU . 0.0 OUTLIER -146.19 149.9 34.83 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.575 -0.739 . . . . 2.02 110.419 179.682 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 599' ' ' LEU . . . . . 0.538 ' HG ' HG22 ' A' ' 521' ' ' VAL . 37.0 mt -92.37 115.39 28.05 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.192 0.52 . . . . 1.02 112.196 -177.778 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 70.0 mt-30 -102.97 103.34 13.44 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 107.736 -1.209 . . . . 2.87 107.736 168.371 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 44.2 mt -63.93 143.15 58.08 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.399 0.619 . . . . 1.47 111.86 -171.279 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 55.3 mttm -100.89 6.4 43.66 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.111 -0.95 . . . . 5.4 109.702 179.819 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 28.6 mtpp -108.47 148.45 37.7 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-N 115.464 -0.789 . . . . 5.81 109.831 -178.45 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 604' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -74.72 64.49 5.78 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.992 2.461 . . . . 6.24 113.179 -176.728 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 605' ' ' GLY . . . . . 0.436 ' O ' ' HB2' ' A' ' 606' ' ' LYS . . . -154.87 171.9 33.22 Favored Glycine 0 N--CA 1.447 -0.615 0 N-CA-C 111.038 -0.825 . . . . 6.9 111.038 176.896 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . 0.436 ' HB2' ' O ' ' A' ' 605' ' ' GLY . 68.8 mmtt 71.56 143.89 0.06 Allowed 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 121.421 0.629 . . . . 8.87 112.535 178.522 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 5.7 t30 60.95 80.66 0.21 Allowed 'General case' 0 C--O 1.233 0.234 0 CA-C-N 114.832 -1.076 . . . . 9.21 111.776 173.818 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 59.1 t -69.71 -49.12 60.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 108.975 -0.75 . . . . 9.63 108.975 172.997 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -130.61 -60.25 0.99 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.25 -0.887 . . . . 9.47 109.243 171.395 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -171.86 127.32 0.6 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.504 -0.771 . . . . 9.11 110.206 176.826 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 37.2 mm -80.19 77.49 0.93 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.505 0 CA-C-O 121.237 0.541 . . . . 8.31 109.738 177.62 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 612' ' ' ILE . . . . . . . . . . . . . 82.7 mt -122.48 96.71 4.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.77 -0.65 . . . . 8.86 110.706 -178.735 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -109.01 -8.66 15.16 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.134 -0.484 . . . . 10.28 109.969 178.285 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 36.5 m-20 -150.72 109.07 3.77 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 108.252 -1.018 . . . . 10.41 108.252 -179.353 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 615' ' ' ILE . . . . . . . . . . . . . 42.6 mm -59.91 100.97 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.29 0 CA-C-N 115.05 -0.977 . . . . 8.61 111.462 -178.659 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 57.8 m-70 -119.25 -1.87 10.76 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.411 -0.359 . . . . 6.75 110.851 175.093 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 33.3 t -171.74 -66.53 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.922 0.391 . . . . 6.99 110.704 -179.394 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 618' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -85.26 146.57 26.99 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.127 -0.488 . . . . 9.26 110.554 -179.561 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 619' ' ' ARG . . . . . 0.562 ' HD2' ' N ' ' A' ' 619' ' ' ARG . 4.2 mpt_? -83.36 145.21 29.16 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.933 -0.576 . . . . 12.9 110.112 177.007 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 620' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -68.24 156.27 37.98 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.575 -0.739 . . . . 11.34 111.404 -172.785 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 12.6 mmm180 . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.697 -0.668 . . . . 11.46 109.701 -179.276 . . . . . . . . 0 0 . 1 stop_ save_