data_1kum_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 1kum _Structure_validation_residue.Date_analyzed 2016-10-06 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 full ' A' A ' 509' ' ' CYS . . . . . . . . . . . . . 48.6 t . . . . . 0 N--CA 1.49 1.525 0 N-CA-C 109.277 -0.638 . . . . 6.77 109.277 . -173.379 -160.175 -110.635 104.281 2.021 104.238 -41.169 -133.478 0 0 . 1 . 001 nuclear orig full ' A' A ' 510' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.96 -151.86 0.07 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.366 -0.834 . . . . 5.12 109.45 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 511' ' ' THR . . . . . 0.509 HG22 ' CB ' ' A' ' 514' ' ' ALA . 1.7 t -50.25 114.17 4.19 Favored Pre-proline 0 C--N 1.304 -1.391 0 O-C-N 121.275 -0.89 . . . . 3.52 109.152 179.753 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 512' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -75.21 -14.59 20.65 Favored 'Trans proline' 0 C--N 1.306 -1.709 0 C-N-CA 122.291 1.994 . . . . 4.35 109.478 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 513' ' ' THR . . . . . 0.491 ' O ' HG13 ' A' ' 600' ' ' VAL . 1.4 p -90.51 -11.03 41.43 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.578 -0.701 . . . . 3.24 109.248 179.454 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 514' ' ' ALA . . . . . 0.63 ' CB ' ' HA ' ' A' ' 570' ' ' PRO . . . -103.67 136.73 42.83 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.211 -0.931 . . . . 1.67 110.181 -179.638 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 515' ' ' VAL . . . . . 0.586 ' CG2' ' HD2' ' A' ' 601' ' ' PRO . 86.8 t -129.48 135.79 60.78 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.399 0 O-C-N 121.419 -0.8 . . . . 1.4 109.119 178.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 516' ' ' ALA . . . . . 0.637 ' O ' ' HB1' ' A' ' 609' ' ' ALA . . . -79.08 124.7 28.55 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.055 -1.028 . . . . 1.37 108.744 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 517' ' ' VAL . . . . . 0.645 HG23 ' CD2' ' A' ' 598' ' ' TYR . 2.8 t -116.95 121.05 66.9 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.883 0 O-C-N 121.548 -0.72 . . . . 1.28 111.133 -178.359 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 518' ' ' THR . . . . . 0.754 ' HA ' ' O ' ' A' ' 565' ' ' VAL . 0.0 OUTLIER -90.64 123.94 34.66 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.255 -0.903 . . . . 1.27 110.407 178.798 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 519' ' ' PHE . . . . . 1.223 ' O ' ' HA ' ' A' ' 564' ' ' TYR . 3.0 m-85 -95.32 106.02 18.02 Favored 'General case' 0 N--CA 1.494 1.754 0 N-CA-C 109.039 -0.726 . . . . 2.2 109.039 179.711 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 520' ' ' ASP . . . . . 0.852 ' HA ' ' O ' ' A' ' 563' ' ' TRP . 0.1 OUTLIER -101.14 139.24 37.1 Favored 'General case' 0 N--CA 1.499 1.983 0 N-CA-C 114.366 1.247 . . . . 1.28 114.366 -177.363 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 521' ' ' LEU . . . . . 0.994 ' HA ' ' O ' ' A' ' 613' ' ' ASP . 0.0 OUTLIER -98.79 134.57 41.49 Favored 'General case' 0 N--CA 1.499 2.016 0 N-CA-C 113.592 0.96 . . . . 1.13 113.592 176.77 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 522' ' ' THR . . . . . 0.425 ' HA ' ' O ' ' A' ' 561' ' ' PRO . 0.0 OUTLIER -97.09 89.33 4.76 Favored 'General case' 0 C--N 1.283 -2.307 0 N-CA-C 102.626 -3.101 . . . . 1.19 102.626 170.47 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 523' ' ' ALA . . . . . 0.618 ' CB ' ' HB3' ' A' ' 615' ' ' TRP . . . -155.46 112.36 3.24 Favored 'General case' 0 C--N 1.303 -1.425 0 C-N-CA 119.946 -0.702 . . . . 1.28 109.73 -175.741 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 524' ' ' THR . . . . . 0.766 ' HA ' ' CE1' ' A' ' 556' ' ' TYR . 11.4 t -90.27 38.59 0.94 Allowed 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.288 -0.882 . . . . 1.34 109.345 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 525' ' ' THR . . . . . 0.858 ' N ' ' OH ' ' A' ' 556' ' ' TYR . 3.2 m -46.35 162.44 0.04 OUTLIER 'General case' 0 C--N 1.293 -1.876 0 N-CA-C 109.194 -0.669 . . . . 3.85 109.194 179.47 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 526' ' ' THR . . . . . 0.446 ' N ' ' CG2' ' A' ' 525' ' ' THR . 1.7 t -137.94 8.34 2.75 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.75 -1.219 . . . . 4.34 110.046 -179.628 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 527' ' ' TYR . . . . . 0.587 ' HB3' ' HG2' ' A' ' 529' ' ' GLU . 21.9 t80 -88.27 175.78 7.52 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.427 -0.795 . . . . 6.54 109.303 179.741 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 528' ' ' GLY . . . . . 0.405 ' N ' ' CD2' ' A' ' 527' ' ' TYR . . . -88.89 15.13 58.53 Favored Glycine 0 N--CA 1.493 2.435 0 N-CA-C 110.104 -1.198 . . . . 2.18 110.104 -179.614 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 529' ' ' GLU . . . . . 0.587 ' HG2' ' HB3' ' A' ' 527' ' ' TYR . 0.0 OUTLIER -76.03 -171.98 1.85 Allowed 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.038 -1.272 . . . . 2.96 109.537 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 530' ' ' ASN . . . . . 0.551 ' HB3' ' HE1' ' A' ' 532' ' ' TYR . 2.3 t-20 -153.97 142.7 20.94 Favored 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 107.883 -1.155 . . . . 1.91 107.883 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 531' ' ' ILE . . . . . 0.782 ' CG1' ' CE3' ' A' ' 615' ' ' TRP . 4.4 mp -94.25 106.63 18.32 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.001 0 C-N-CA 118.454 -1.298 . . . . 1.13 110.767 179.435 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 532' ' ' TYR . . . . . 0.734 ' CG ' ' HA ' ' A' ' 550' ' ' ALA . 4.2 m-85 -83.22 -171.89 3.83 Favored 'General case' 0 C--N 1.292 -1.898 0 C-N-CA 119.022 -1.071 . . . . 2.15 108.35 177.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 533' ' ' LEU . . . . . 0.632 ' CD2' ' CD2' ' A' ' 519' ' ' PHE . 0.2 OUTLIER -158.07 124.96 4.92 Favored 'General case' 0 C--N 1.297 -1.709 0 O-C-N 121.469 -0.77 . . . . 1.33 109.569 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 534' ' ' VAL . . . . . 0.939 HG21 ' O ' ' A' ' 540' ' ' LEU . 4.2 p -116.15 -178.46 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.297 -1.707 0 N-CA-C 106.148 -1.797 . . . . 1.12 106.148 177.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 535' ' ' GLY . . . . . 0.794 ' N ' ' CB ' ' A' ' 540' ' ' LEU . . . -150.1 -176.48 23.2 Favored Glycine 0 N--CA 1.495 2.622 0 C-N-CA 117.539 -2.267 . . . . 0.92 112.52 -176.676 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 536' ' ' SER . . . . . 0.911 ' HA ' ' CE2' ' A' ' 543' ' ' TRP . 0.0 OUTLIER -88.69 14.14 10.77 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 122.003 -0.704 . . . . 2.18 110.635 -178.809 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 537' ' ' ILE . . . . . 0.61 HD11 ' CD1' ' A' ' 575' ' ' PHE . 22.0 pt -141.77 165.84 17.7 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.532 0 O-C-N 121.034 -1.041 . . . . 1.64 108.945 179.639 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 538' ' ' SER . . . . . 0.502 ' O ' ' N ' ' A' ' 541' ' ' GLY . 0.0 OUTLIER -52.43 -37.67 57.31 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.132 -0.98 . . . . 1.6 110.116 -179.302 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 539' ' ' GLN . . . . . 0.549 ' HB2' ' CG1' ' A' ' 537' ' ' ILE . 38.8 mm-40 -39.11 -39.74 0.62 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.31 -0.869 . . . . 2.64 109.987 -179.348 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 540' ' ' LEU . . . . . 0.939 ' O ' HG21 ' A' ' 534' ' ' VAL . 2.1 mm? -105.26 40.52 1.51 Allowed 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.318 -0.864 . . . . 2.12 109.216 179.254 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 541' ' ' GLY . . . . . 0.563 ' O ' ' CB ' ' A' ' 542' ' ' ASP . . . 65.78 17.3 64.85 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.539 -1.424 . . . . 0.68 109.539 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 542' ' ' ASP . . . . . 0.697 ' O ' ' O ' ' A' ' 535' ' ' GLY . 4.5 m-20 81.95 -64.49 0.13 Allowed 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.529 -0.983 . . . . 1.37 110.213 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 543' ' ' TRP . . . . . 0.911 ' CE2' ' HA ' ' A' ' 536' ' ' SER . 3.7 m95 -173.91 39.89 0.01 OUTLIER 'General case' 0 C--N 1.288 -2.108 0 N-CA-C 108.947 -0.76 . . . . 0.74 108.947 179.37 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 544' ' ' GLU . . . . . 0.65 ' N ' HG22 ' A' ' 534' ' ' VAL . 4.7 mt-10 -113.6 131.77 55.99 Favored 'General case' 0 C--N 1.295 -1.798 0 N-CA-C 107.319 -1.363 . . . . 1.78 107.319 178.726 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 545' ' ' THR . . . . . 0.671 ' HB ' ' CZ2' ' A' ' 590' ' ' TRP . 0.0 OUTLIER -81.2 -28.3 34.96 Favored 'General case' 0 C--N 1.291 -1.958 0 C-N-CA 118.637 -1.225 . . . . 1.21 108.768 -179.036 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 546' ' ' SER . . . . . 0.503 ' HB3' ' HB2' ' A' ' 586' ' ' ASP . 0.3 OUTLIER -78.8 -10.94 59.95 Favored 'General case' 0 C--N 1.307 -1.24 0 CA-C-O 122.071 0.938 . . . . 1.2 108.477 179.558 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 547' ' ' ASP . . . . . 0.41 ' O ' ' O ' ' A' ' 548' ' ' GLY . 33.9 m-20 -118.35 -4.79 10.87 Favored 'General case' 0 C--N 1.294 -1.811 0 N-CA-C 108.183 -1.043 . . . . 1.75 108.183 178.459 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 548' ' ' GLY . . . . . 0.579 ' O ' ' CG1' ' A' ' 549' ' ' ILE . . . -64.86 -124.47 0.01 OUTLIER Glycine 0 N--CA 1.488 2.111 0 N-CA-C 107.406 -2.278 . . . . 0.54 107.406 178.499 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 549' ' ' ILE . . . . . 0.579 ' CG1' ' O ' ' A' ' 548' ' ' GLY . 31.7 mt -160.43 124.38 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 120.887 -1.36 . . . . 1.51 110.292 178.777 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 550' ' ' ALA . . . . . 0.734 ' HA ' ' CG ' ' A' ' 532' ' ' TYR . . . -64.98 143.29 58.05 Favored 'General case' 0 C--N 1.304 -1.395 0 C-N-CA 119.696 -0.802 . . . . 1.14 109.592 179.534 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 551' ' ' LEU . . . . . 0.901 ' O ' ' HZ3' ' A' ' 563' ' ' TRP . 7.2 mp -99.37 172.86 7.06 Favored 'General case' 0 C--N 1.297 -1.676 0 C-N-CA 119.69 -0.804 . . . . 1.13 109.021 179.444 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 552' ' ' SER . . . . . 0.416 ' OG ' ' N ' ' A' ' 553' ' ' ALA . 6.1 t -123.1 174.67 7.08 Favored 'General case' 0 C--N 1.301 -1.519 0 C-N-CA 118.14 -1.424 . . . . 1.02 110.988 179.789 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 553' ' ' ALA . . . . . 0.45 ' HB2' ' HB3' ' A' ' 556' ' ' TYR . . . -125.07 39.03 4.07 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.472 -0.768 . . . . 1.17 110.056 -178.508 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 554' ' ' ASP . . . . . 0.607 ' OD2' ' CZ ' ' A' ' 564' ' ' TYR . 0.8 OUTLIER -59.19 -34.71 72.46 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.28 -0.887 . . . . 1.66 109.722 179.921 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 555' ' ' LYS . . . . . . . . . . . . . 3.9 tttt -107.35 33.5 3.98 Favored 'General case' 0 N--CA 1.492 1.635 0 N-CA-C 108.139 -1.06 . . . . 2.63 108.139 178.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 556' ' ' TYR . . . . . 0.858 ' OH ' ' N ' ' A' ' 525' ' ' THR . 0.2 OUTLIER -141.31 119.01 11.68 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.698 -0.626 . . . . 2.26 109.4 -178.727 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 557' ' ' THR . . . . . 0.545 ' N ' ' HD1' ' A' ' 556' ' ' TYR . 0.3 OUTLIER -151.89 -67.17 0.17 Allowed 'General case' 0 N--CA 1.486 1.362 0 O-C-N 121.202 -0.936 . . . . 2.27 110.19 179.211 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 558' ' ' SER . . . . . 0.437 ' H ' ' CG2' ' A' ' 557' ' ' THR . 0.3 OUTLIER -148.19 -43.72 0.16 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.984 -1.073 . . . . 3.68 109.733 -179.752 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.71 -59.03 3.21 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.17 -0.956 . . . . 2.82 109.289 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -133.4 108.33 12.25 Favored Pre-proline 0 C--N 1.3 -1.585 0 O-C-N 121.471 -0.768 . . . . 2.32 109.247 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 561' ' ' PRO . . . . . 0.691 ' HA ' ' CD1' ' A' ' 556' ' ' TYR . 28.0 Cg_endo -80.53 102.67 1.43 Allowed 'Trans proline' 0 C--N 1.308 -1.556 0 C-N-CA 122.653 2.235 . . . . 0.71 110.861 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 562' ' ' LEU . . . . . 0.661 ' N ' ' HB2' ' A' ' 556' ' ' TYR . 0.0 OUTLIER -132.69 102.59 5.74 Favored 'General case' 0 C--N 1.297 -1.71 0 C-N-CA 119.277 -0.969 . . . . 1.96 111.322 -179.483 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 563' ' ' TRP . . . . . 0.901 ' HZ3' ' O ' ' A' ' 551' ' ' LEU . 30.7 m95 -78.8 -171.64 2.65 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 106.377 -1.712 . . . . 0.62 106.377 176.766 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 564' ' ' TYR . . . . . 1.223 ' HA ' ' O ' ' A' ' 519' ' ' PHE . 10.1 p90 151.89 148.65 0.0 OUTLIER 'General case' 0 C--N 1.297 -1.698 0 CA-C-O 123.646 1.689 . . . . 2.38 112.817 174.348 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 565' ' ' VAL . . . . . 0.837 ' CG2' ' HA ' ' A' ' 551' ' ' LEU . 79.3 t -143.08 131.69 20.06 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.024 0 CA-C-N 112.24 -2.254 . . . . 1.42 108.535 178.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 566' ' ' THR . . . . . 0.667 ' CG2' ' O ' ' A' ' 566' ' ' THR . 14.7 t -90.77 77.07 6.32 Favored 'General case' 0 C--N 1.281 -2.378 0 C-N-CA 119.294 -0.962 . . . . 1.32 109.329 -179.794 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 567' ' ' VAL . . . . . 0.565 ' HB ' ' CE2' ' A' ' 519' ' ' PHE . 24.4 t -77.37 119.7 26.46 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.933 0 O-C-N 120.858 -1.151 . . . . 1.2 108.679 179.769 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 568' ' ' THR . . . . . 0.503 ' O ' HG11 ' A' ' 567' ' ' VAL . 0.6 OUTLIER -53.26 161.43 0.91 Allowed 'General case' 0 C--N 1.293 -1.884 0 C-N-CA 119.236 -0.986 . . . . 1.36 110.102 179.116 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 569' ' ' LEU . . . . . 0.607 HD23 ' CE2' ' A' ' 577' ' ' TYR . 31.9 mt -151.94 93.6 3.42 Favored Pre-proline 0 C--N 1.297 -1.705 0 N-CA-C 107.64 -1.244 . . . . 1.3 107.64 179.377 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 570' ' ' PRO . . . . . 0.63 ' HA ' ' CB ' ' A' ' 514' ' ' ALA . 31.7 Cg_endo -72.95 139.79 30.61 Favored 'Trans proline' 0 C--N 1.313 -1.329 0 C-N-CA 123.113 2.542 . . . . 1.8 112.165 -177.455 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 571' ' ' ALA . . . . . 0.609 ' O ' ' C ' ' A' ' 572' ' ' GLY . . . 76.9 97.68 0.07 Allowed 'General case' 0 C--N 1.294 -1.839 0 CA-C-N 115.23 -0.895 . . . . 2.44 110.14 179.582 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 572' ' ' GLY . . . . . 0.624 ' HA2' ' HB ' ' A' ' 600' ' ' VAL . . . -28.05 147.39 0.01 OUTLIER Glycine 0 N--CA 1.493 2.466 0 N-CA-C 108.778 -1.729 . . . . 1.64 108.778 179.151 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 573' ' ' GLU . . . . . 0.626 ' O ' ' HA ' ' A' ' 599' ' ' THR . 0.8 OUTLIER 174.78 147.11 0.07 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.63 -1.512 . . . . 2.3 111.795 -178.651 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 574' ' ' SER . . . . . 0.598 ' HA ' ' O ' ' A' ' 598' ' ' TYR . 3.9 t -84.16 47.3 1.31 Allowed 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 107.53 -1.285 . . . . 1.08 107.53 177.705 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 575' ' ' PHE . . . . . 0.624 ' CE2' ' CB ' ' A' ' 573' ' ' GLU . 71.2 m-85 -35.18 160.09 0.0 OUTLIER 'General case' 0 C--N 1.303 -1.422 0 CA-C-O 121.651 0.739 . . . . 2.73 111.144 -178.802 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 576' ' ' GLU . . . . . 0.55 ' O ' ' HD1' ' A' ' 577' ' ' TYR . 0.3 OUTLIER -127.43 105.48 8.54 Favored 'General case' 0 N--CA 1.491 1.619 0 N-CA-C 107.907 -1.146 . . . . 2.17 107.907 178.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 577' ' ' TYR . . . . . 0.777 ' CE2' HD22 ' A' ' 540' ' ' LEU . 19.8 m-30 -120.66 154.06 36.04 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.467 -0.771 . . . . 2.78 110.188 -178.674 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 578' ' ' LYS . . . . . 0.74 ' CB ' ' HB3' ' A' ' 591' ' ' GLU . 4.0 mmtp -142.54 168.94 18.54 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.433 -0.792 . . . . 4.71 110.171 179.803 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 579' ' ' PHE . . . . . 0.518 ' CD1' ' N ' ' A' ' 580' ' ' ILE . 1.2 p90 -91.56 169.83 10.43 Favored 'General case' 0 N--CA 1.489 1.51 0 CA-C-O 122.143 0.973 . . . . 2.33 111.571 -178.226 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 580' ' ' ILE . . . . . 0.852 HG23 ' NE1' ' A' ' 590' ' ' TRP . 0.1 OUTLIER -146.06 142.66 21.49 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.028 0 N-CA-C 108.304 -0.999 . . . . 1.12 108.304 179.615 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 581' ' ' ARG . . . . . 0.903 ' O ' ' HA ' ' A' ' 588' ' ' VAL . 1.5 ttt180 -89.26 96.92 10.92 Favored 'General case' 0 N--CA 1.497 1.875 0 N-CA-C 107.139 -1.43 . . . . 3.8 107.139 178.25 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 582' ' ' ILE . . . . . 0.753 HG13 ' CG1' ' A' ' 588' ' ' VAL . 1.2 mp -99.01 121.17 49.28 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.475 0 O-C-N 120.658 -1.276 . . . . 1.27 111.409 -177.268 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 583' ' ' GLU . . . . . 0.529 ' C ' ' H ' ' A' ' 585' ' ' ASP . 4.1 mt-10 -72.47 -169.49 0.54 Allowed 'General case' 0 C--N 1.3 -1.553 0 CA-C-N 115.595 -0.729 . . . . 2.12 109.266 179.018 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 49.2 m -61.54 -3.86 1.16 Allowed 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 108.108 -1.071 . . . . 1.39 108.108 178.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 585' ' ' ASP . . . . . 0.529 ' H ' ' C ' ' A' ' 583' ' ' GLU . 0.4 OUTLIER -130.4 -167.12 1.77 Allowed 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 108.932 -0.766 . . . . 1.45 108.932 179.51 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 586' ' ' ASP . . . . . 0.503 ' HB2' ' HB3' ' A' ' 546' ' ' SER . 5.3 p-10 -80.51 11.55 3.64 Favored 'General case' 0 C--N 1.298 -1.668 0 O-C-N 121.514 -0.741 . . . . 1.48 110.844 -179.263 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 587' ' ' SER . . . . . 0.508 ' C ' HG11 ' A' ' 588' ' ' VAL . 55.3 m -78.3 133.51 37.63 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 106.187 -1.783 . . . . 1.73 106.187 178.131 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 588' ' ' VAL . . . . . 0.903 ' HA ' ' O ' ' A' ' 581' ' ' ARG . 0.7 OUTLIER -157.19 -177.52 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.486 0 C-N-CA 116.357 -2.137 . . . . 1.14 113.327 -177.755 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 589' ' ' GLU . . . . . 0.706 ' O ' HG22 ' A' ' 588' ' ' VAL . 47.0 mt-10 -121.3 173.49 7.31 Favored 'General case' 0 C--N 1.299 -1.599 0 N-CA-C 105.302 -2.11 . . . . 2.44 105.302 176.393 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 590' ' ' TRP . . . . . 0.852 ' NE1' HG23 ' A' ' 580' ' ' ILE . 5.7 m95 -147.79 -177.04 5.5 Favored 'General case' 0 C--N 1.276 -2.606 0 C-N-CA 116.403 -2.119 . . . . 1.27 115.138 -173.42 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 591' ' ' GLU . . . . . 0.74 ' HB3' ' CB ' ' A' ' 578' ' ' LYS . 0.0 OUTLIER -37.29 136.83 0.43 Allowed 'General case' 0 C--N 1.296 -1.742 0 CA-C-N 112.454 -2.157 . . . . 1.71 111.319 177.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 592' ' ' SER . . . . . 0.584 ' O ' ' O ' ' A' ' 591' ' ' GLU . 6.5 t -66.59 -135.45 0.0 OUTLIER 'General case' 0 C--N 1.296 -1.753 0 N-CA-C 102.182 -3.266 . . . . 1.96 102.182 173.024 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 593' ' ' ASP . . . . . 0.613 ' HB2' ' HD3' ' A' ' 594' ' ' PRO . 21.3 m-20 -91.86 -53.31 0.27 Allowed Pre-proline 0 C--N 1.284 -2.251 0 O-C-N 119.741 -1.849 . . . . 4.29 110.071 176.747 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 594' ' ' PRO . . . . . 0.613 ' HD3' ' HB2' ' A' ' 593' ' ' ASP . 31.1 Cg_endo -73.38 90.62 0.89 Allowed 'Trans proline' 0 C--N 1.305 -1.761 0 C-N-CA 121.565 1.51 . . . . 2.41 109.945 -178.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 595' ' ' ASN . . . . . 0.699 ' HA ' ' CG ' ' A' ' 578' ' ' LYS . 0.4 OUTLIER -66.32 -165.4 0.03 OUTLIER 'General case' 0 C--N 1.289 -2.045 0 N-CA-C 108.887 -0.783 . . . . 1.31 108.887 -179.738 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 596' ' ' ARG . . . . . 0.487 ' HB2' ' O ' ' A' ' 577' ' ' TYR . 0.2 OUTLIER -116.29 169.97 8.89 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.123 -0.985 . . . . 3.38 108.851 -179.924 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 597' ' ' GLU . . . . . 0.561 ' HA ' ' O ' ' A' ' 575' ' ' PHE . 13.6 pt-20 -145.66 158.94 43.79 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.163 -0.961 . . . . 1.47 109.853 -179.703 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 598' ' ' TYR . . . . . 0.702 ' CZ ' ' CB ' ' A' ' 609' ' ' ALA . 68.3 t80 -144.71 146.79 32.38 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.554 -0.716 . . . . 2.24 109.364 179.223 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 599' ' ' THR . . . . . 0.626 ' HA ' ' O ' ' A' ' 573' ' ' GLU . 0.7 OUTLIER -111.13 105.26 13.92 Favored 'General case' 0 C--N 1.301 -1.526 0 C-N-CA 119.543 -0.863 . . . . 1.2 110.222 179.364 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 600' ' ' VAL . . . . . 0.624 ' HB ' ' HA2' ' A' ' 572' ' ' GLY . 20.2 t -69.44 115.92 37.45 Favored Pre-proline 0 C--N 1.299 -1.628 0 N-CA-C 108.034 -1.098 . . . . 1.45 108.034 179.165 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 601' ' ' PRO . . . . . 0.586 ' HD2' ' CG2' ' A' ' 515' ' ' VAL . 36.1 Cg_endo -77.49 174.23 13.0 Favored 'Trans proline' 0 C--N 1.307 -1.636 0 C-N-CA 122.833 2.355 . . . . 1.22 110.597 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 602' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -112.03 60.79 0.62 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.343 -0.848 . . . . 3.55 109.292 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 603' ' ' ALA . . . . . . . . . . . . . . . -105.4 131.93 52.22 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.133 -0.98 . . . . 3.34 109.595 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 604' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -92.71 128.79 38.69 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.196 -0.94 . . . . 3.97 109.317 179.922 -133.478 -41.169 -110.635 104.238 2.021 104.281 -160.175 -173.379 2 2 . 1 . 001 nuclear orig full ' A' A ' 605' ' ' GLY . . . . . . . . . . . . . . . 103.01 -66.04 0.36 Allowed Glycine 0 N--CA 1.49 2.268 0 N-CA-C 109.283 -1.527 . . . . 3.4 109.283 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 606' ' ' THR . . . . . 0.461 HG21 ' O ' ' A' ' 606' ' ' THR . 3.4 t -84.71 73.69 10.56 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.314 -1.109 . . . . 3.07 109.285 179.783 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 607' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.09 61.22 6.73 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.29 -0.881 . . . . 2.25 109.529 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 608' ' ' THR . . . . . 0.426 ' O ' ' CG1' ' A' ' 515' ' ' VAL . 1.0 OUTLIER -113.7 159.31 19.84 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.177 -0.952 . . . . 1.54 109.491 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 609' ' ' ALA . . . . . 0.702 ' CB ' ' CZ ' ' A' ' 598' ' ' TYR . . . -153.31 173.96 14.92 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.189 -0.944 . . . . 1.18 109.718 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 610' ' ' THR . . . . . 0.641 ' O ' ' CD1' ' A' ' 598' ' ' TYR . 2.7 m -141.09 144.01 34.66 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.268 -0.895 . . . . 1.28 111.89 -178.331 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 611' ' ' VAL . . . . . 0.598 ' CG2' HG13 ' A' ' 517' ' ' VAL . 25.3 t -153.84 102.86 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 N-CA-C 107.285 -1.376 . . . . 1.19 107.285 177.176 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 612' ' ' THR . . . . . 0.474 HG21 ' OD2' ' A' ' 520' ' ' ASP . 0.3 OUTLIER -79.55 96.17 6.06 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.1 -1.0 . . . . 1.24 111.501 -177.791 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 613' ' ' ASP . . . . . 0.994 ' O ' ' HA ' ' A' ' 521' ' ' LEU . 57.5 m-20 -87.8 129.84 35.06 Favored 'General case' 0 C--N 1.304 -1.399 0 N-CA-C 108.089 -1.078 . . . . 1.46 108.089 177.716 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 614' ' ' THR . . . . . 0.507 HG21 ' N ' ' A' ' 615' ' ' TRP . 23.6 m -103.31 138.31 40.26 Favored 'General case' 0 C--N 1.292 -1.918 0 O-C-N 120.504 -1.372 . . . . 1.16 108.883 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 615' ' ' TRP . . . . . 0.952 ' CB ' ' HG ' ' A' ' 521' ' ' LEU . 5.7 t-105 -117.86 -28.43 5.94 Favored 'General case' 0 C--N 1.302 -1.459 0 C-N-CA 118.302 -1.359 . . . . 0.86 110.216 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 616' ' ' ARG . . . . . 0.584 ' HB2' ' HA ' ' A' ' 523' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.577 0 CA-C-O 117.972 -1.013 . . . . 3.77 109.423 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 509' ' ' CYS . . . . . . . . . . . . . 48.6 t . . . . . 0 N--CA 1.49 1.525 0 N-CA-C 109.277 -0.638 . . . . 6.4299999999999997 109.277 . -173.379 -160.175 -110.635 104.281 2.021 104.238 -41.169 -133.478 0 0 . 1 . 001 nuclear build full ' A' A ' 510' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.96 -151.86 0.07 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.366 -0.834 . . . . 4.8099999999999996 109.45 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 511' ' ' THR . . . . . 0.876 HG23 ' HB3' ' A' ' 514' ' ' ALA . 1.7 t -50.25 114.17 4.19 Favored Pre-proline 0 C--N 1.304 -1.391 0 O-C-N 121.275 -0.89 . . . . 3.1200000000000001 109.152 179.753 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 512' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -75.21 -14.59 20.65 Favored 'Trans proline' 0 C--N 1.306 -1.709 0 C-N-CA 122.291 1.994 . . . . 3.6899999999999999 109.478 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 513' ' ' THR . . . . . 0.423 ' HB ' ' HA ' ' A' ' 571' ' ' ALA . 1.4 p -90.51 -11.03 41.43 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.578 -0.701 . . . . 2.98 109.248 179.454 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 514' ' ' ALA . . . . . 0.876 ' HB3' HG23 ' A' ' 511' ' ' THR . . . -103.67 136.73 42.83 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.211 -0.931 . . . . 1.3100000000000001 110.181 -179.638 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 515' ' ' VAL . . . . . 0.882 HG21 ' HD2' ' A' ' 601' ' ' PRO . 86.8 t -129.48 135.79 60.78 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.399 0 O-C-N 121.419 -0.8 . . . . 0.83999999999999997 109.119 178.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 516' ' ' ALA . . . . . 0.665 ' HB1' ' OG1' ' A' ' 566' ' ' THR . . . -79.08 124.7 28.55 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.055 -1.028 . . . . 0.78000000000000003 108.744 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 517' ' ' VAL . . . . . 0.998 HG22 ' CB ' ' A' ' 609' ' ' ALA . 2.8 t -116.95 121.05 66.9 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.883 0 O-C-N 121.548 -0.72 . . . . 0.64000000000000001 111.133 -178.359 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 518' ' ' THR . . . . . 0.821 HG23 ' HB ' ' A' ' 566' ' ' THR . 0.0 OUTLIER -90.64 123.94 34.66 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.255 -0.903 . . . . 0.68999999999999995 110.407 178.798 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 519' ' ' PHE . . . . . 1.249 ' O ' ' HA ' ' A' ' 564' ' ' TYR . 3.0 m-85 -95.32 106.02 18.02 Favored 'General case' 0 N--CA 1.494 1.754 0 N-CA-C 109.039 -0.726 . . . . 1.3 109.039 179.711 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 520' ' ' ASP . . . . . 0.8 ' HA ' ' O ' ' A' ' 563' ' ' TRP . 0.1 OUTLIER -101.14 139.24 37.1 Favored 'General case' 0 N--CA 1.499 1.983 0 N-CA-C 114.366 1.247 . . . . 1.28 114.366 -177.363 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 521' ' ' LEU . . . . . 1.077 ' HA ' ' O ' ' A' ' 613' ' ' ASP . 0.0 OUTLIER -98.79 134.57 41.49 Favored 'General case' 0 N--CA 1.499 2.016 0 N-CA-C 113.592 0.96 . . . . 0.68000000000000005 113.592 176.77 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -97.09 89.33 4.76 Favored 'General case' 0 C--N 1.283 -2.307 0 N-CA-C 102.626 -3.101 . . . . 0.57999999999999996 102.626 170.47 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 523' ' ' ALA . . . . . 0.723 ' HB2' ' HB3' ' A' ' 615' ' ' TRP . . . -155.46 112.36 3.24 Favored 'General case' 0 C--N 1.303 -1.425 0 C-N-CA 119.946 -0.702 . . . . 0.68000000000000005 109.73 -175.741 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 524' ' ' THR . . . . . 0.778 ' HA ' ' CE1' ' A' ' 556' ' ' TYR . 11.4 t -90.27 38.59 0.94 Allowed 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.288 -0.882 . . . . 1.02 109.345 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 525' ' ' THR . . . . . 0.858 ' N ' ' OH ' ' A' ' 556' ' ' TYR . 3.2 m -46.35 162.44 0.04 OUTLIER 'General case' 0 C--N 1.293 -1.876 0 N-CA-C 109.194 -0.669 . . . . 3.4399999999999999 109.194 179.47 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 526' ' ' THR . . . . . 0.446 ' N ' ' CG2' ' A' ' 525' ' ' THR . 1.7 t -137.94 8.34 2.75 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.75 -1.219 . . . . 3.8799999999999999 110.046 -179.628 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 527' ' ' TYR . . . . . 0.626 ' HB3' ' HG2' ' A' ' 529' ' ' GLU . 21.9 t80 -88.27 175.78 7.52 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.427 -0.795 . . . . 6.3300000000000001 109.303 179.741 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 528' ' ' GLY . . . . . 0.405 ' N ' ' CD2' ' A' ' 527' ' ' TYR . . . -88.89 15.13 58.53 Favored Glycine 0 N--CA 1.493 2.435 0 N-CA-C 110.104 -1.198 . . . . 1.7 110.104 -179.614 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 529' ' ' GLU . . . . . 0.626 ' HG2' ' HB3' ' A' ' 527' ' ' TYR . 0.0 OUTLIER -76.03 -171.98 1.85 Allowed 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.038 -1.272 . . . . 2.96 109.537 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 530' ' ' ASN . . . . . 0.584 ' HB3' ' HE1' ' A' ' 532' ' ' TYR . 2.3 t-20 -153.97 142.7 20.94 Favored 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 107.883 -1.155 . . . . 1.2 107.883 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 531' ' ' ILE . . . . . 0.908 HG21 HD21 ' A' ' 521' ' ' LEU . 4.4 mp -94.25 106.63 18.32 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.001 0 C-N-CA 118.454 -1.298 . . . . 0.45000000000000001 110.767 179.435 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 532' ' ' TYR . . . . . 1.108 ' CE2' ' HB2' ' A' ' 550' ' ' ALA . 4.2 m-85 -83.22 -171.89 3.83 Favored 'General case' 0 C--N 1.292 -1.898 0 C-N-CA 119.022 -1.071 . . . . 1.26 108.35 177.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 533' ' ' LEU . . . . . 0.93 HD22 ' CD2' ' A' ' 519' ' ' PHE . 0.2 OUTLIER -158.07 124.96 4.92 Favored 'General case' 0 C--N 1.297 -1.709 0 O-C-N 121.469 -0.77 . . . . 0.75 109.569 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 534' ' ' VAL . . . . . 1.21 HG11 ' CH2' ' A' ' 590' ' ' TRP . 4.2 p -116.15 -178.46 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.297 -1.707 0 N-CA-C 106.148 -1.797 . . . . 0.52000000000000002 106.148 177.864 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 535' ' ' GLY . . . . . 0.794 ' N ' ' CB ' ' A' ' 540' ' ' LEU . . . -150.1 -176.48 23.2 Favored Glycine 0 N--CA 1.495 2.622 0 C-N-CA 117.539 -2.267 . . . . 0.60999999999999999 112.52 -176.676 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 536' ' ' SER . . . . . 0.925 ' HA ' ' CE2' ' A' ' 543' ' ' TRP . 0.0 OUTLIER -88.69 14.14 10.77 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 122.003 -0.704 . . . . 1.8200000000000001 110.635 -178.809 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 537' ' ' ILE . . . . . 0.619 HD13 ' CD1' ' A' ' 575' ' ' PHE . 22.0 pt -141.77 165.84 17.7 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.532 0 O-C-N 121.034 -1.041 . . . . 1.1399999999999999 108.945 179.639 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 538' ' ' SER . . . . . 0.502 ' O ' ' N ' ' A' ' 541' ' ' GLY . 0.0 OUTLIER -52.43 -37.67 57.31 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.132 -0.98 . . . . 1.26 110.116 -179.302 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 539' ' ' GLN . . . . . 0.559 ' HB2' ' CG1' ' A' ' 537' ' ' ILE . 38.8 mm-40 -39.11 -39.74 0.62 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.31 -0.869 . . . . 2.2400000000000002 109.987 -179.348 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 540' ' ' LEU . . . . . 0.912 ' O ' HG23 ' A' ' 534' ' ' VAL . 2.1 mm? -105.26 40.52 1.51 Allowed 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.318 -0.864 . . . . 1.55 109.216 179.254 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 541' ' ' GLY . . . . . 0.563 ' O ' ' CB ' ' A' ' 542' ' ' ASP . . . 65.78 17.3 64.85 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.539 -1.424 . . . . 0.63 109.539 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 542' ' ' ASP . . . . . 0.697 ' O ' ' O ' ' A' ' 535' ' ' GLY . 4.5 m-20 81.95 -64.49 0.13 Allowed 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.529 -0.983 . . . . 1.3700000000000001 110.213 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 543' ' ' TRP . . . . . 0.925 ' CE2' ' HA ' ' A' ' 536' ' ' SER . 3.7 m95 -173.91 39.89 0.01 OUTLIER 'General case' 0 C--N 1.288 -2.108 0 N-CA-C 108.947 -0.76 . . . . 0.66000000000000003 108.947 179.37 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 544' ' ' GLU . . . . . 0.607 ' N ' HG21 ' A' ' 534' ' ' VAL . 4.7 mt-10 -113.6 131.77 55.99 Favored 'General case' 0 C--N 1.295 -1.798 0 N-CA-C 107.319 -1.363 . . . . 1.78 107.319 178.726 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 545' ' ' THR . . . . . 0.823 ' HB ' HG21 ' A' ' 580' ' ' ILE . 0.0 OUTLIER -81.2 -28.3 34.96 Favored 'General case' 0 C--N 1.291 -1.958 0 C-N-CA 118.637 -1.225 . . . . 0.58999999999999997 108.768 -179.036 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 546' ' ' SER . . . . . 0.534 ' HB3' ' HB2' ' A' ' 586' ' ' ASP . 0.3 OUTLIER -78.8 -10.94 59.95 Favored 'General case' 0 C--N 1.307 -1.24 0 CA-C-O 122.071 0.938 . . . . 0.84999999999999998 108.477 179.558 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 547' ' ' ASP . . . . . 0.41 ' O ' ' O ' ' A' ' 548' ' ' GLY . 33.9 m-20 -118.35 -4.79 10.87 Favored 'General case' 0 C--N 1.294 -1.811 0 N-CA-C 108.183 -1.043 . . . . 1.75 108.183 178.459 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 548' ' ' GLY . . . . . 0.579 ' O ' ' CG1' ' A' ' 549' ' ' ILE . . . -64.86 -124.47 0.01 OUTLIER Glycine 0 N--CA 1.488 2.111 0 N-CA-C 107.406 -2.278 . . . . 0.52000000000000002 107.406 178.499 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 549' ' ' ILE . . . . . 0.671 HD12 HG22 ' A' ' 567' ' ' VAL . 31.7 mt -160.43 124.38 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 120.887 -1.36 . . . . 0.92000000000000004 110.292 178.777 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 550' ' ' ALA . . . . . 1.108 ' HB2' ' CE2' ' A' ' 532' ' ' TYR . . . -64.98 143.29 58.05 Favored 'General case' 0 C--N 1.304 -1.395 0 C-N-CA 119.696 -0.802 . . . . 0.47999999999999998 109.592 179.534 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 551' ' ' LEU . . . . . 0.913 ' O ' ' HZ3' ' A' ' 563' ' ' TRP . 7.2 mp -99.37 172.86 7.06 Favored 'General case' 0 C--N 1.297 -1.676 0 C-N-CA 119.69 -0.804 . . . . 0.41999999999999998 109.021 179.444 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 552' ' ' SER . . . . . 0.416 ' OG ' ' N ' ' A' ' 553' ' ' ALA . 6.1 t -123.1 174.67 7.08 Favored 'General case' 0 C--N 1.301 -1.519 0 C-N-CA 118.14 -1.424 . . . . 0.67000000000000004 110.988 179.789 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 553' ' ' ALA . . . . . 0.458 ' HB1' ' HB3' ' A' ' 556' ' ' TYR . . . -125.07 39.03 4.07 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.472 -0.768 . . . . 0.56000000000000005 110.056 -178.508 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 554' ' ' ASP . . . . . 0.607 ' OD2' ' CZ ' ' A' ' 564' ' ' TYR . 0.8 OUTLIER -59.19 -34.71 72.46 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.28 -0.887 . . . . 1.6599999999999999 109.722 179.921 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 555' ' ' LYS . . . . . . . . . . . . . 3.9 tttt -107.35 33.5 3.98 Favored 'General case' 0 N--CA 1.492 1.635 0 N-CA-C 108.139 -1.06 . . . . 2.1400000000000001 108.139 178.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 556' ' ' TYR . . . . . 0.858 ' OH ' ' N ' ' A' ' 525' ' ' THR . 0.2 OUTLIER -141.31 119.01 11.68 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.698 -0.626 . . . . 1.4199999999999999 109.4 -178.727 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 557' ' ' THR . . . . . 0.795 HG23 ' H ' ' A' ' 558' ' ' SER . 0.3 OUTLIER -151.89 -67.17 0.17 Allowed 'General case' 0 N--CA 1.486 1.362 0 O-C-N 121.202 -0.936 . . . . 2.27 110.19 179.211 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 558' ' ' SER . . . . . 0.795 ' H ' HG23 ' A' ' 557' ' ' THR . 0.3 OUTLIER -148.19 -43.72 0.16 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.984 -1.073 . . . . 3.3300000000000001 109.733 -179.752 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.71 -59.03 3.21 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.17 -0.956 . . . . 2.5299999999999998 109.289 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -133.4 108.33 12.25 Favored Pre-proline 0 C--N 1.3 -1.585 0 O-C-N 121.471 -0.768 . . . . 2.3199999999999998 109.247 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 561' ' ' PRO . . . . . 0.667 ' HA ' ' CD1' ' A' ' 556' ' ' TYR . 28.0 Cg_endo -80.53 102.67 1.43 Allowed 'Trans proline' 0 C--N 1.308 -1.556 0 C-N-CA 122.653 2.235 . . . . 0.59999999999999998 110.861 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 562' ' ' LEU . . . . . 0.662 ' N ' ' HB2' ' A' ' 556' ' ' TYR . 0.0 OUTLIER -132.69 102.59 5.74 Favored 'General case' 0 C--N 1.297 -1.71 0 C-N-CA 119.277 -0.969 . . . . 1.3600000000000001 111.322 -179.483 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 563' ' ' TRP . . . . . 0.913 ' HZ3' ' O ' ' A' ' 551' ' ' LEU . 30.7 m95 -78.8 -171.64 2.65 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 106.377 -1.712 . . . . 0.62 106.377 176.766 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 564' ' ' TYR . . . . . 1.249 ' HA ' ' O ' ' A' ' 519' ' ' PHE . 10.1 p90 151.89 148.65 0.0 OUTLIER 'General case' 0 C--N 1.297 -1.698 0 CA-C-O 123.646 1.689 . . . . 1.55 112.817 174.348 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 565' ' ' VAL . . . . . 0.869 ' CG2' ' HA ' ' A' ' 551' ' ' LEU . 79.3 t -143.08 131.69 20.06 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.024 0 CA-C-N 112.24 -2.254 . . . . 0.78000000000000003 108.535 178.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 566' ' ' THR . . . . . 0.956 HG23 ' O ' ' A' ' 566' ' ' THR . 14.7 t -90.77 77.07 6.32 Favored 'General case' 0 C--N 1.281 -2.378 0 C-N-CA 119.294 -0.962 . . . . 0.76000000000000001 109.329 -179.794 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 567' ' ' VAL . . . . . 0.671 HG22 HD12 ' A' ' 549' ' ' ILE . 24.4 t -77.37 119.7 26.46 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.933 0 O-C-N 120.858 -1.151 . . . . 0.60999999999999999 108.679 179.769 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 568' ' ' THR . . . . . 0.507 ' O ' HG12 ' A' ' 567' ' ' VAL . 0.6 OUTLIER -53.26 161.43 0.91 Allowed 'General case' 0 C--N 1.293 -1.884 0 C-N-CA 119.236 -0.986 . . . . 0.85999999999999999 110.102 179.116 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 569' ' ' LEU . . . . . 0.744 HD11 ' HE2' ' A' ' 577' ' ' TYR . 31.9 mt -151.94 93.6 3.42 Favored Pre-proline 0 C--N 1.297 -1.705 0 N-CA-C 107.64 -1.244 . . . . 0.93999999999999995 107.64 179.377 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 570' ' ' PRO . . . . . 0.63 ' O ' ' HB3' ' A' ' 571' ' ' ALA . 31.7 Cg_endo -72.95 139.79 30.61 Favored 'Trans proline' 0 C--N 1.313 -1.329 0 C-N-CA 123.113 2.542 . . . . 1.4399999999999999 112.165 -177.455 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 571' ' ' ALA . . . . . 0.63 ' HB3' ' O ' ' A' ' 570' ' ' PRO . . . 76.9 97.68 0.07 Allowed 'General case' 0 C--N 1.294 -1.839 0 CA-C-N 115.23 -0.895 . . . . 2.02 110.14 179.582 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 572' ' ' GLY . . . . . 0.626 ' HA2' ' HB ' ' A' ' 600' ' ' VAL . . . -28.05 147.39 0.01 OUTLIER Glycine 0 N--CA 1.493 2.466 0 N-CA-C 108.778 -1.729 . . . . 1.28 108.778 179.151 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 573' ' ' GLU . . . . . 0.639 ' HB3' ' CE2' ' A' ' 575' ' ' PHE . 0.8 OUTLIER 174.78 147.11 0.07 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.63 -1.512 . . . . 2.2999999999999998 111.795 -178.651 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 574' ' ' SER . . . . . 0.586 ' HA ' ' O ' ' A' ' 598' ' ' TYR . 3.9 t -84.16 47.3 1.31 Allowed 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 107.53 -1.285 . . . . 0.67000000000000004 107.53 177.705 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 575' ' ' PHE . . . . . 0.639 ' CE2' ' HB3' ' A' ' 573' ' ' GLU . 71.2 m-85 -35.18 160.09 0.0 OUTLIER 'General case' 0 C--N 1.303 -1.422 0 CA-C-O 121.651 0.739 . . . . 1.8799999999999999 111.144 -178.802 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 576' ' ' GLU . . . . . 0.559 ' O ' ' HD1' ' A' ' 577' ' ' TYR . 0.3 OUTLIER -127.43 105.48 8.54 Favored 'General case' 0 N--CA 1.491 1.619 0 N-CA-C 107.907 -1.146 . . . . 2.1699999999999999 107.907 178.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 577' ' ' TYR . . . . . 0.761 ' CZ ' HD23 ' A' ' 540' ' ' LEU . 19.8 m-30 -120.66 154.06 36.04 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.467 -0.771 . . . . 2.5699999999999998 110.188 -178.674 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 578' ' ' LYS . . . . . 0.77 ' CB ' ' HB3' ' A' ' 591' ' ' GLU . 4.0 mmtp -142.54 168.94 18.54 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.433 -0.792 . . . . 4.3399999999999999 110.171 179.803 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 579' ' ' PHE . . . . . 0.518 ' CD1' ' N ' ' A' ' 580' ' ' ILE . 1.2 p90 -91.56 169.83 10.43 Favored 'General case' 0 N--CA 1.489 1.51 0 CA-C-O 122.143 0.973 . . . . 1.4299999999999999 111.571 -178.226 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 580' ' ' ILE . . . . . 1.065 HG22 ' CD1' ' A' ' 590' ' ' TRP . 0.1 OUTLIER -146.06 142.66 21.49 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.028 0 N-CA-C 108.304 -0.999 . . . . 0.40999999999999998 108.304 179.615 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 581' ' ' ARG . . . . . 0.841 ' O ' ' HA ' ' A' ' 588' ' ' VAL . 1.5 ttt180 -89.26 96.92 10.92 Favored 'General case' 0 N--CA 1.497 1.875 0 N-CA-C 107.139 -1.43 . . . . 3.3700000000000001 107.139 178.25 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 582' ' ' ILE . . . . . 0.956 HD12 ' N ' ' A' ' 582' ' ' ILE . 1.2 mp -99.01 121.17 49.28 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.475 0 O-C-N 120.658 -1.276 . . . . 0.56999999999999995 111.409 -177.268 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 583' ' ' GLU . . . . . 0.484 ' C ' ' H ' ' A' ' 585' ' ' ASP . 4.1 mt-10 -72.47 -169.49 0.54 Allowed 'General case' 0 C--N 1.3 -1.553 0 CA-C-N 115.595 -0.729 . . . . 2.1200000000000001 109.266 179.018 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 49.2 m -61.54 -3.86 1.16 Allowed 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 108.108 -1.071 . . . . 1.05 108.108 178.602 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 585' ' ' ASP . . . . . 0.484 ' H ' ' C ' ' A' ' 583' ' ' GLU . 0.4 OUTLIER -130.4 -167.12 1.77 Allowed 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 108.932 -0.766 . . . . 1.45 108.932 179.51 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 586' ' ' ASP . . . . . 0.534 ' HB2' ' HB3' ' A' ' 546' ' ' SER . 5.3 p-10 -80.51 11.55 3.64 Favored 'General case' 0 C--N 1.298 -1.668 0 O-C-N 121.514 -0.741 . . . . 1.48 110.844 -179.263 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 587' ' ' SER . . . . . 0.523 ' O ' HG12 ' A' ' 588' ' ' VAL . 55.3 m -78.3 133.51 37.63 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 106.187 -1.783 . . . . 1.24 106.187 178.131 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 588' ' ' VAL . . . . . 0.915 HG11 HG13 ' A' ' 582' ' ' ILE . 0.7 OUTLIER -157.19 -177.52 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.486 0 C-N-CA 116.357 -2.137 . . . . 0.68999999999999995 113.327 -177.755 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 589' ' ' GLU . . . . . 0.652 ' HB2' ' HB3' ' A' ' 581' ' ' ARG . 47.0 mt-10 -121.3 173.49 7.31 Favored 'General case' 0 C--N 1.299 -1.599 0 N-CA-C 105.302 -2.11 . . . . 2.4399999999999999 105.302 176.393 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 590' ' ' TRP . . . . . 1.21 ' CH2' HG11 ' A' ' 534' ' ' VAL . 5.7 m95 -147.79 -177.04 5.5 Favored 'General case' 0 C--N 1.276 -2.606 0 C-N-CA 116.403 -2.119 . . . . 0.85999999999999999 115.138 -173.42 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 591' ' ' GLU . . . . . 0.77 ' HB3' ' CB ' ' A' ' 578' ' ' LYS . 0.0 OUTLIER -37.29 136.83 0.43 Allowed 'General case' 0 C--N 1.296 -1.742 0 CA-C-N 112.454 -2.157 . . . . 1.71 111.319 177.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 592' ' ' SER . . . . . 0.584 ' O ' ' O ' ' A' ' 591' ' ' GLU . 6.5 t -66.59 -135.45 0.0 OUTLIER 'General case' 0 C--N 1.296 -1.753 0 N-CA-C 102.182 -3.266 . . . . 1.8300000000000001 102.182 173.024 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 593' ' ' ASP . . . . . 0.648 ' HB2' ' HD3' ' A' ' 594' ' ' PRO . 21.3 m-20 -91.86 -53.31 0.27 Allowed Pre-proline 0 C--N 1.284 -2.251 0 O-C-N 119.741 -1.849 . . . . 4.29 110.071 176.747 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 594' ' ' PRO . . . . . 0.648 ' HD3' ' HB2' ' A' ' 593' ' ' ASP . 31.1 Cg_endo -73.38 90.62 0.89 Allowed 'Trans proline' 0 C--N 1.305 -1.761 0 C-N-CA 121.565 1.51 . . . . 2.1000000000000001 109.945 -178.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 595' ' ' ASN . . . . . 0.699 ' HA ' ' CG ' ' A' ' 578' ' ' LYS . 0.4 OUTLIER -66.32 -165.4 0.03 OUTLIER 'General case' 0 C--N 1.289 -2.045 0 N-CA-C 108.887 -0.783 . . . . 1.3100000000000001 108.887 -179.738 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 596' ' ' ARG . . . . . 0.488 ' O ' ' HA ' ' A' ' 576' ' ' GLU . 0.2 OUTLIER -116.29 169.97 8.89 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.123 -0.985 . . . . 2.8799999999999999 108.851 -179.924 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 597' ' ' GLU . . . . . 0.565 ' HA ' ' O ' ' A' ' 575' ' ' PHE . 13.6 pt-20 -145.66 158.94 43.79 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.163 -0.961 . . . . 1.47 109.853 -179.703 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 598' ' ' TYR . . . . . 1.122 ' CZ ' ' HB1' ' A' ' 609' ' ' ALA . 68.3 t80 -144.71 146.79 32.38 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.554 -0.716 . . . . 1.3500000000000001 109.364 179.223 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 599' ' ' THR . . . . . 0.638 ' HA ' ' O ' ' A' ' 573' ' ' GLU . 0.7 OUTLIER -111.13 105.26 13.92 Favored 'General case' 0 C--N 1.301 -1.526 0 C-N-CA 119.543 -0.863 . . . . 0.68000000000000005 110.222 179.364 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 600' ' ' VAL . . . . . 0.78 HG13 HG23 ' A' ' 515' ' ' VAL . 20.2 t -69.44 115.92 37.45 Favored Pre-proline 0 C--N 1.299 -1.628 0 N-CA-C 108.034 -1.098 . . . . 0.82999999999999996 108.034 179.165 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 601' ' ' PRO . . . . . 0.882 ' HD2' HG21 ' A' ' 515' ' ' VAL . 36.1 Cg_endo -77.49 174.23 13.0 Favored 'Trans proline' 0 C--N 1.307 -1.636 0 C-N-CA 122.833 2.355 . . . . 1.22 110.597 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 602' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -112.03 60.79 0.62 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.343 -0.848 . . . . 3.3199999999999998 109.292 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 603' ' ' ALA . . . . . . . . . . . . . . . -105.4 131.93 52.22 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.133 -0.98 . . . . 2.8799999999999999 109.595 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 604' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -92.71 128.79 38.69 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.196 -0.94 . . . . 3.9700000000000002 109.317 179.922 -133.478 -41.169 -110.635 104.238 2.021 104.281 -160.175 -173.379 2 2 . 1 . 001 nuclear build full ' A' A ' 605' ' ' GLY . . . . . . . . . . . . . . . 103.01 -66.04 0.36 Allowed Glycine 0 N--CA 1.49 2.268 0 N-CA-C 109.283 -1.527 . . . . 2.8999999999999999 109.283 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 606' ' ' THR . . . . . 0.527 ' O ' HG23 ' A' ' 606' ' ' THR . 3.4 t -84.71 73.69 10.56 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.314 -1.109 . . . . 2.73 109.285 179.783 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 607' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.09 61.22 6.73 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.29 -0.881 . . . . 1.95 109.529 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 608' ' ' THR . . . . . 0.426 ' O ' ' CG1' ' A' ' 515' ' ' VAL . 1.0 OUTLIER -113.7 159.31 19.84 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.177 -0.952 . . . . 1.04 109.491 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 609' ' ' ALA . . . . . 1.122 ' HB1' ' CZ ' ' A' ' 598' ' ' TYR . . . -153.31 173.96 14.92 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.189 -0.944 . . . . 0.64000000000000001 109.718 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 610' ' ' THR . . . . . 0.641 ' O ' ' CD1' ' A' ' 598' ' ' TYR . 2.7 m -141.09 144.01 34.66 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.268 -0.895 . . . . 0.70999999999999996 111.89 -178.331 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 611' ' ' VAL . . . . . 0.611 HG23 ' CG1' ' A' ' 517' ' ' VAL . 25.3 t -153.84 102.86 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 N-CA-C 107.285 -1.376 . . . . 0.54000000000000004 107.285 177.176 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 612' ' ' THR . . . . . 0.496 HG23 ' OD2' ' A' ' 520' ' ' ASP . 0.3 OUTLIER -79.55 96.17 6.06 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.1 -1.0 . . . . 0.71999999999999997 111.501 -177.791 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 613' ' ' ASP . . . . . 1.077 ' O ' ' HA ' ' A' ' 521' ' ' LEU . 57.5 m-20 -87.8 129.84 35.06 Favored 'General case' 0 C--N 1.304 -1.399 0 N-CA-C 108.089 -1.078 . . . . 1.46 108.089 177.716 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 23.6 m -103.31 138.31 40.26 Favored 'General case' 0 C--N 1.292 -1.918 0 O-C-N 120.504 -1.372 . . . . 0.5 108.883 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 615' ' ' TRP . . . . . 0.948 ' CB ' ' HG ' ' A' ' 521' ' ' LEU . 5.7 t-105 -117.86 -28.43 5.94 Favored 'General case' 0 C--N 1.302 -1.459 0 C-N-CA 118.302 -1.359 . . . . 0.75 110.216 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 616' ' ' ARG . . . . . 0.616 ' HB2' ' HA ' ' A' ' 523' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.577 0 CA-C-O 117.972 -1.013 . . . . 3.1800000000000002 109.423 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 509' ' ' CYS . . . . . . . . . . . . . 48.6 t . . . . . 0 N--CA 1.49 1.525 0 N-CA-C 109.277 -0.638 . . . . 6.4299999999999997 109.277 . -173.379 -160.175 -110.635 104.281 2.021 104.238 -41.169 -133.478 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 510' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.96 -151.86 0.07 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.366 -0.834 . . . . 4.8099999999999996 109.45 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 511' ' ' THR . . . . . 0.876 HG23 ' HB3' ' A' ' 514' ' ' ALA . 1.7 t -50.25 114.17 4.19 Favored Pre-proline 0 C--N 1.304 -1.391 0 O-C-N 121.275 -0.89 . . . . 3.1200000000000001 109.152 179.753 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 512' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -75.21 -14.59 20.65 Favored 'Trans proline' 0 C--N 1.306 -1.709 0 C-N-CA 122.291 1.994 . . . . 3.6899999999999999 109.478 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 513' ' ' THR . . . . . 0.423 ' HB ' ' HA ' ' A' ' 571' ' ' ALA . 1.4 p -90.51 -11.03 41.43 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.578 -0.701 . . . . 2.98 109.248 179.454 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 514' ' ' ALA . . . . . 0.876 ' HB3' HG23 ' A' ' 511' ' ' THR . . . -103.67 136.73 42.83 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.211 -0.931 . . . . 1.3100000000000001 110.181 -179.638 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 515' ' ' VAL . . . . . 0.882 HG21 ' HD2' ' A' ' 601' ' ' PRO . 86.8 t -129.48 135.79 60.78 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.399 0 O-C-N 121.419 -0.8 . . . . 0.83999999999999997 109.119 178.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 516' ' ' ALA . . . . . 0.665 ' HB1' ' OG1' ' A' ' 566' ' ' THR . . . -79.08 124.7 28.55 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.055 -1.028 . . . . 0.78000000000000003 108.744 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 517' ' ' VAL . . . . . 0.998 HG22 ' CB ' ' A' ' 609' ' ' ALA . 2.8 t -116.95 121.05 66.9 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.883 0 O-C-N 121.548 -0.72 . . . . 0.64000000000000001 111.133 -178.359 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 518' ' ' THR . . . . . 0.821 HG23 ' HB ' ' A' ' 566' ' ' THR . 0.0 OUTLIER -90.64 123.94 34.66 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.255 -0.903 . . . . 0.68999999999999995 110.407 178.798 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 519' ' ' PHE . . . . . 1.249 ' O ' ' HA ' ' A' ' 564' ' ' TYR . 3.0 m-85 -95.32 106.02 18.02 Favored 'General case' 0 N--CA 1.494 1.754 0 N-CA-C 109.039 -0.726 . . . . 1.3 109.039 179.711 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 520' ' ' ASP . . . . . 0.8 ' HA ' ' O ' ' A' ' 563' ' ' TRP . 0.1 OUTLIER -101.14 139.24 37.1 Favored 'General case' 0 N--CA 1.499 1.983 0 N-CA-C 114.366 1.247 . . . . 1.28 114.366 -177.363 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 521' ' ' LEU . . . . . 1.077 ' HA ' ' O ' ' A' ' 613' ' ' ASP . 0.0 OUTLIER -98.79 134.57 41.49 Favored 'General case' 0 N--CA 1.499 2.016 0 N-CA-C 113.592 0.96 . . . . 0.68000000000000005 113.592 176.77 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -97.09 89.33 4.76 Favored 'General case' 0 C--N 1.283 -2.307 0 N-CA-C 102.626 -3.101 . . . . 0.57999999999999996 102.626 170.47 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 523' ' ' ALA . . . . . 0.723 ' HB2' ' HB3' ' A' ' 615' ' ' TRP . . . -155.46 112.36 3.24 Favored 'General case' 0 C--N 1.303 -1.425 0 C-N-CA 119.946 -0.702 . . . . 0.68000000000000005 109.73 -175.741 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 524' ' ' THR . . . . . 0.778 ' HA ' ' CE1' ' A' ' 556' ' ' TYR . 11.4 t -90.27 38.59 0.94 Allowed 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.288 -0.882 . . . . 1.02 109.345 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 525' ' ' THR . . . . . 0.858 ' N ' ' OH ' ' A' ' 556' ' ' TYR . 3.2 m -46.35 162.44 0.04 OUTLIER 'General case' 0 C--N 1.293 -1.876 0 N-CA-C 109.194 -0.669 . . . . 3.4399999999999999 109.194 179.47 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 526' ' ' THR . . . . . 0.446 ' N ' ' CG2' ' A' ' 525' ' ' THR . 1.7 t -137.94 8.34 2.75 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.75 -1.219 . . . . 3.8799999999999999 110.046 -179.628 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 527' ' ' TYR . . . . . 0.626 ' HB3' ' HG2' ' A' ' 529' ' ' GLU . 21.9 t80 -88.27 175.78 7.52 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.427 -0.795 . . . . 6.3300000000000001 109.303 179.741 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 528' ' ' GLY . . . . . 0.405 ' N ' ' CD2' ' A' ' 527' ' ' TYR . . . -88.89 15.13 58.53 Favored Glycine 0 N--CA 1.493 2.435 0 N-CA-C 110.104 -1.198 . . . . 1.7 110.104 -179.614 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 529' ' ' GLU . . . . . 0.626 ' HG2' ' HB3' ' A' ' 527' ' ' TYR . 0.0 OUTLIER -76.03 -171.98 1.85 Allowed 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.038 -1.272 . . . . 2.96 109.537 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 530' ' ' ASN . . . . . 0.584 ' HB3' ' HE1' ' A' ' 532' ' ' TYR . 2.3 t-20 -153.97 142.7 20.94 Favored 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 107.883 -1.155 . . . . 1.2 107.883 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 531' ' ' ILE . . . . . 0.908 HG21 HD21 ' A' ' 521' ' ' LEU . 4.4 mp -94.25 106.63 18.32 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.001 0 C-N-CA 118.454 -1.298 . . . . 0.45000000000000001 110.767 179.435 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 532' ' ' TYR . . . . . 1.108 ' CE2' ' HB2' ' A' ' 550' ' ' ALA . 4.2 m-85 -83.22 -171.89 3.83 Favored 'General case' 0 C--N 1.292 -1.898 0 C-N-CA 119.022 -1.071 . . . . 1.26 108.35 177.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 533' ' ' LEU . . . . . 0.93 HD22 ' CD2' ' A' ' 519' ' ' PHE . 0.2 OUTLIER -158.07 124.96 4.92 Favored 'General case' 0 C--N 1.297 -1.709 0 O-C-N 121.469 -0.77 . . . . 0.75 109.569 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 534' ' ' VAL . . . . . 1.21 HG11 ' CH2' ' A' ' 590' ' ' TRP . 4.2 p -116.15 -178.46 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.297 -1.707 0 N-CA-C 106.148 -1.797 . . . . 0.52000000000000002 106.148 177.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 535' ' ' GLY . . . . . 0.794 ' N ' ' CB ' ' A' ' 540' ' ' LEU . . . -150.1 -176.48 23.2 Favored Glycine 0 N--CA 1.495 2.622 0 C-N-CA 117.539 -2.267 . . . . 0.60999999999999999 112.52 -176.676 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 536' ' ' SER . . . . . 0.925 ' HA ' ' CE2' ' A' ' 543' ' ' TRP . 0.0 OUTLIER -88.69 14.14 10.77 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 122.003 -0.704 . . . . 1.8200000000000001 110.635 -178.809 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 537' ' ' ILE . . . . . 0.619 HD13 ' CD1' ' A' ' 575' ' ' PHE . 22.0 pt -141.77 165.84 17.7 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.532 0 O-C-N 121.034 -1.041 . . . . 1.1399999999999999 108.945 179.639 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 538' ' ' SER . . . . . 0.502 ' O ' ' N ' ' A' ' 541' ' ' GLY . 0.0 OUTLIER -52.43 -37.67 57.31 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.132 -0.98 . . . . 1.26 110.116 -179.302 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 539' ' ' GLN . . . . . 0.559 ' HB2' ' CG1' ' A' ' 537' ' ' ILE . 38.8 mm-40 -39.11 -39.74 0.62 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.31 -0.869 . . . . 2.2400000000000002 109.987 -179.348 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 540' ' ' LEU . . . . . 0.912 ' O ' HG23 ' A' ' 534' ' ' VAL . 2.1 mm? -105.26 40.52 1.51 Allowed 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.318 -0.864 . . . . 1.55 109.216 179.254 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 541' ' ' GLY . . . . . 0.563 ' O ' ' CB ' ' A' ' 542' ' ' ASP . . . 65.78 17.3 64.85 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.539 -1.424 . . . . 0.63 109.539 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 542' ' ' ASP . . . . . 0.697 ' O ' ' O ' ' A' ' 535' ' ' GLY . 4.5 m-20 81.95 -64.49 0.13 Allowed 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.529 -0.983 . . . . 1.3700000000000001 110.213 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 543' ' ' TRP . . . . . 0.925 ' CE2' ' HA ' ' A' ' 536' ' ' SER . 3.7 m95 -173.91 39.89 0.01 OUTLIER 'General case' 0 C--N 1.288 -2.108 0 N-CA-C 108.947 -0.76 . . . . 0.66000000000000003 108.947 179.37 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 544' ' ' GLU . . . . . 0.607 ' N ' HG21 ' A' ' 534' ' ' VAL . 4.7 mt-10 -113.6 131.77 55.99 Favored 'General case' 0 C--N 1.295 -1.798 0 N-CA-C 107.319 -1.363 . . . . 1.78 107.319 178.726 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 545' ' ' THR . . . . . 0.823 ' HB ' HG21 ' A' ' 580' ' ' ILE . 0.0 OUTLIER -81.2 -28.3 34.96 Favored 'General case' 0 C--N 1.291 -1.958 0 C-N-CA 118.637 -1.225 . . . . 0.58999999999999997 108.768 -179.036 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 546' ' ' SER . . . . . 0.534 ' HB3' ' HB2' ' A' ' 586' ' ' ASP . 0.3 OUTLIER -78.8 -10.94 59.95 Favored 'General case' 0 C--N 1.307 -1.24 0 CA-C-O 122.071 0.938 . . . . 0.84999999999999998 108.477 179.558 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 547' ' ' ASP . . . . . 0.41 ' O ' ' O ' ' A' ' 548' ' ' GLY . 33.9 m-20 -118.35 -4.79 10.87 Favored 'General case' 0 C--N 1.294 -1.811 0 N-CA-C 108.183 -1.043 . . . . 1.75 108.183 178.459 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 548' ' ' GLY . . . . . 0.579 ' O ' ' CG1' ' A' ' 549' ' ' ILE . . . -64.86 -124.47 0.01 OUTLIER Glycine 0 N--CA 1.488 2.111 0 N-CA-C 107.406 -2.278 . . . . 0.52000000000000002 107.406 178.499 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 549' ' ' ILE . . . . . 0.671 HD12 HG22 ' A' ' 567' ' ' VAL . 31.7 mt -160.43 124.38 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 120.887 -1.36 . . . . 0.92000000000000004 110.292 178.777 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 550' ' ' ALA . . . . . 1.108 ' HB2' ' CE2' ' A' ' 532' ' ' TYR . . . -64.98 143.29 58.05 Favored 'General case' 0 C--N 1.304 -1.395 0 C-N-CA 119.696 -0.802 . . . . 0.47999999999999998 109.592 179.534 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 551' ' ' LEU . . . . . 0.913 ' O ' ' HZ3' ' A' ' 563' ' ' TRP . 7.2 mp -99.37 172.86 7.06 Favored 'General case' 0 C--N 1.297 -1.676 0 C-N-CA 119.69 -0.804 . . . . 0.41999999999999998 109.021 179.444 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 552' ' ' SER . . . . . 0.416 ' OG ' ' N ' ' A' ' 553' ' ' ALA . 6.1 t -123.1 174.67 7.08 Favored 'General case' 0 C--N 1.301 -1.519 0 C-N-CA 118.14 -1.424 . . . . 0.67000000000000004 110.988 179.789 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 553' ' ' ALA . . . . . 0.458 ' HB1' ' HB3' ' A' ' 556' ' ' TYR . . . -125.07 39.03 4.07 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.472 -0.768 . . . . 0.56000000000000005 110.056 -178.508 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 554' ' ' ASP . . . . . 0.607 ' OD2' ' CZ ' ' A' ' 564' ' ' TYR . 0.8 OUTLIER -59.19 -34.71 72.46 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.28 -0.887 . . . . 1.6599999999999999 109.722 179.921 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 555' ' ' LYS . . . . . . . . . . . . . 3.9 tttt -107.35 33.5 3.98 Favored 'General case' 0 N--CA 1.492 1.635 0 N-CA-C 108.139 -1.06 . . . . 2.1400000000000001 108.139 178.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 556' ' ' TYR . . . . . 0.858 ' OH ' ' N ' ' A' ' 525' ' ' THR . 0.2 OUTLIER -141.31 119.01 11.68 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.698 -0.626 . . . . 1.4199999999999999 109.4 -178.727 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 557' ' ' THR . . . . . 0.795 HG23 ' H ' ' A' ' 558' ' ' SER . 0.3 OUTLIER -151.89 -67.17 0.17 Allowed 'General case' 0 N--CA 1.486 1.362 0 O-C-N 121.202 -0.936 . . . . 2.27 110.19 179.211 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 558' ' ' SER . . . . . 0.795 ' H ' HG23 ' A' ' 557' ' ' THR . 0.3 OUTLIER -148.19 -43.72 0.16 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.984 -1.073 . . . . 3.3300000000000001 109.733 -179.752 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.71 -59.03 3.21 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.17 -0.956 . . . . 2.5299999999999998 109.289 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -133.4 108.33 12.25 Favored Pre-proline 0 C--N 1.3 -1.585 0 O-C-N 121.471 -0.768 . . . . 2.3199999999999998 109.247 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 561' ' ' PRO . . . . . 0.667 ' HA ' ' CD1' ' A' ' 556' ' ' TYR . 28.0 Cg_endo -80.53 102.67 1.43 Allowed 'Trans proline' 0 C--N 1.308 -1.556 0 C-N-CA 122.653 2.235 . . . . 0.59999999999999998 110.861 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 562' ' ' LEU . . . . . 0.662 ' N ' ' HB2' ' A' ' 556' ' ' TYR . 0.0 OUTLIER -132.69 102.59 5.74 Favored 'General case' 0 C--N 1.297 -1.71 0 C-N-CA 119.277 -0.969 . . . . 1.3600000000000001 111.322 -179.483 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 563' ' ' TRP . . . . . 0.913 ' HZ3' ' O ' ' A' ' 551' ' ' LEU . 30.7 m95 -78.8 -171.64 2.65 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 106.377 -1.712 . . . . 0.62 106.377 176.766 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 564' ' ' TYR . . . . . 1.249 ' HA ' ' O ' ' A' ' 519' ' ' PHE . 10.1 p90 151.89 148.65 0.0 OUTLIER 'General case' 0 C--N 1.297 -1.698 0 CA-C-O 123.646 1.689 . . . . 1.55 112.817 174.348 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 565' ' ' VAL . . . . . 0.869 ' CG2' ' HA ' ' A' ' 551' ' ' LEU . 79.3 t -143.08 131.69 20.06 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.024 0 CA-C-N 112.24 -2.254 . . . . 0.78000000000000003 108.535 178.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 566' ' ' THR . . . . . 0.956 HG23 ' O ' ' A' ' 566' ' ' THR . 14.7 t -90.77 77.07 6.32 Favored 'General case' 0 C--N 1.281 -2.378 0 C-N-CA 119.294 -0.962 . . . . 0.76000000000000001 109.329 -179.794 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 567' ' ' VAL . . . . . 0.671 HG22 HD12 ' A' ' 549' ' ' ILE . 24.4 t -77.37 119.7 26.46 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.933 0 O-C-N 120.858 -1.151 . . . . 0.60999999999999999 108.679 179.769 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 568' ' ' THR . . . . . 0.507 ' O ' HG12 ' A' ' 567' ' ' VAL . 0.6 OUTLIER -53.26 161.43 0.91 Allowed 'General case' 0 C--N 1.293 -1.884 0 C-N-CA 119.236 -0.986 . . . . 0.85999999999999999 110.102 179.116 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 569' ' ' LEU . . . . . 0.744 HD11 ' HE2' ' A' ' 577' ' ' TYR . 31.9 mt -151.94 93.6 3.42 Favored Pre-proline 0 C--N 1.297 -1.705 0 N-CA-C 107.64 -1.244 . . . . 0.93999999999999995 107.64 179.377 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 570' ' ' PRO . . . . . 0.63 ' O ' ' HB3' ' A' ' 571' ' ' ALA . 31.7 Cg_endo -72.95 139.79 30.61 Favored 'Trans proline' 0 C--N 1.313 -1.329 0 C-N-CA 123.113 2.542 . . . . 1.4399999999999999 112.165 -177.455 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 571' ' ' ALA . . . . . 0.63 ' HB3' ' O ' ' A' ' 570' ' ' PRO . . . 76.9 97.68 0.07 Allowed 'General case' 0 C--N 1.294 -1.839 0 CA-C-N 115.23 -0.895 . . . . 2.02 110.14 179.582 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 572' ' ' GLY . . . . . 0.626 ' HA2' ' HB ' ' A' ' 600' ' ' VAL . . . -28.05 147.39 0.01 OUTLIER Glycine 0 N--CA 1.493 2.466 0 N-CA-C 108.778 -1.729 . . . . 1.28 108.778 179.151 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 573' ' ' GLU . . . . . 0.639 ' HB3' ' CE2' ' A' ' 575' ' ' PHE . 0.8 OUTLIER 174.78 147.11 0.07 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.63 -1.512 . . . . 2.2999999999999998 111.795 -178.651 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 574' ' ' SER . . . . . 0.586 ' HA ' ' O ' ' A' ' 598' ' ' TYR . 3.9 t -84.16 47.3 1.31 Allowed 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 107.53 -1.285 . . . . 0.67000000000000004 107.53 177.705 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 575' ' ' PHE . . . . . 0.639 ' CE2' ' HB3' ' A' ' 573' ' ' GLU . 71.2 m-85 -35.18 160.09 0.0 OUTLIER 'General case' 0 C--N 1.303 -1.422 0 CA-C-O 121.651 0.739 . . . . 1.8799999999999999 111.144 -178.802 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 576' ' ' GLU . . . . . 0.559 ' O ' ' HD1' ' A' ' 577' ' ' TYR . 0.3 OUTLIER -127.43 105.48 8.54 Favored 'General case' 0 N--CA 1.491 1.619 0 N-CA-C 107.907 -1.146 . . . . 2.1699999999999999 107.907 178.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 577' ' ' TYR . . . . . 0.761 ' CZ ' HD23 ' A' ' 540' ' ' LEU . 19.8 m-30 -120.66 154.06 36.04 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.467 -0.771 . . . . 2.5699999999999998 110.188 -178.674 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 578' ' ' LYS . . . . . 0.77 ' CB ' ' HB3' ' A' ' 591' ' ' GLU . 4.0 mmtp -142.54 168.94 18.54 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.433 -0.792 . . . . 4.3399999999999999 110.171 179.803 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 579' ' ' PHE . . . . . 0.518 ' CD1' ' N ' ' A' ' 580' ' ' ILE . 1.2 p90 -91.56 169.83 10.43 Favored 'General case' 0 N--CA 1.489 1.51 0 CA-C-O 122.143 0.973 . . . . 1.4299999999999999 111.571 -178.226 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 580' ' ' ILE . . . . . 1.065 HG22 ' CD1' ' A' ' 590' ' ' TRP . 0.1 OUTLIER -146.06 142.66 21.49 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.028 0 N-CA-C 108.304 -0.999 . . . . 0.40999999999999998 108.304 179.615 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 581' ' ' ARG . . . . . 0.841 ' O ' ' HA ' ' A' ' 588' ' ' VAL . 1.5 ttt180 -89.26 96.92 10.92 Favored 'General case' 0 N--CA 1.497 1.875 0 N-CA-C 107.139 -1.43 . . . . 3.3700000000000001 107.139 178.25 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 582' ' ' ILE . . . . . 0.956 HD12 ' N ' ' A' ' 582' ' ' ILE . 1.2 mp -99.01 121.17 49.28 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.475 0 O-C-N 120.658 -1.276 . . . . 0.56999999999999995 111.409 -177.268 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 583' ' ' GLU . . . . . 0.484 ' C ' ' H ' ' A' ' 585' ' ' ASP . 4.1 mt-10 -72.47 -169.49 0.54 Allowed 'General case' 0 C--N 1.3 -1.553 0 CA-C-N 115.595 -0.729 . . . . 2.1200000000000001 109.266 179.018 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 49.2 m -61.54 -3.86 1.16 Allowed 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 108.108 -1.071 . . . . 1.05 108.108 178.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 585' ' ' ASP . . . . . 0.484 ' H ' ' C ' ' A' ' 583' ' ' GLU . 0.4 OUTLIER -130.4 -167.12 1.77 Allowed 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 108.932 -0.766 . . . . 1.45 108.932 179.51 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 586' ' ' ASP . . . . . 0.534 ' HB2' ' HB3' ' A' ' 546' ' ' SER . 5.3 p-10 -80.51 11.55 3.64 Favored 'General case' 0 C--N 1.298 -1.668 0 O-C-N 121.514 -0.741 . . . . 1.48 110.844 -179.263 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 587' ' ' SER . . . . . 0.523 ' O ' HG12 ' A' ' 588' ' ' VAL . 55.3 m -78.3 133.51 37.63 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 106.187 -1.783 . . . . 1.24 106.187 178.131 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 588' ' ' VAL . . . . . 0.915 HG11 HG13 ' A' ' 582' ' ' ILE . 0.7 OUTLIER -157.19 -177.52 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.486 0 C-N-CA 116.357 -2.137 . . . . 0.68999999999999995 113.327 -177.755 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 589' ' ' GLU . . . . . 0.652 ' HB2' ' HB3' ' A' ' 581' ' ' ARG . 47.0 mt-10 -121.3 173.49 7.31 Favored 'General case' 0 C--N 1.299 -1.599 0 N-CA-C 105.302 -2.11 . . . . 2.4399999999999999 105.302 176.393 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 590' ' ' TRP . . . . . 1.21 ' CH2' HG11 ' A' ' 534' ' ' VAL . 5.7 m95 -147.79 -177.04 5.5 Favored 'General case' 0 C--N 1.276 -2.606 0 C-N-CA 116.403 -2.119 . . . . 0.85999999999999999 115.138 -173.42 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 591' ' ' GLU . . . . . 0.77 ' HB3' ' CB ' ' A' ' 578' ' ' LYS . 0.0 OUTLIER -37.29 136.83 0.43 Allowed 'General case' 0 C--N 1.296 -1.742 0 CA-C-N 112.454 -2.157 . . . . 1.71 111.319 177.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 592' ' ' SER . . . . . 0.584 ' O ' ' O ' ' A' ' 591' ' ' GLU . 6.5 t -66.59 -135.45 0.0 OUTLIER 'General case' 0 C--N 1.296 -1.753 0 N-CA-C 102.182 -3.266 . . . . 1.8300000000000001 102.182 173.024 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 593' ' ' ASP . . . . . 0.648 ' HB2' ' HD3' ' A' ' 594' ' ' PRO . 21.3 m-20 -91.86 -53.31 0.27 Allowed Pre-proline 0 C--N 1.284 -2.251 0 O-C-N 119.741 -1.849 . . . . 4.29 110.071 176.747 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 594' ' ' PRO . . . . . 0.648 ' HD3' ' HB2' ' A' ' 593' ' ' ASP . 31.1 Cg_endo -73.38 90.62 0.89 Allowed 'Trans proline' 0 C--N 1.305 -1.761 0 C-N-CA 121.565 1.51 . . . . 2.1000000000000001 109.945 -178.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 595' ' ' ASN . . . . . 0.699 ' HA ' ' CG ' ' A' ' 578' ' ' LYS . 0.4 OUTLIER -66.32 -165.4 0.03 OUTLIER 'General case' 0 C--N 1.289 -2.045 0 N-CA-C 108.887 -0.783 . . . . 1.3100000000000001 108.887 -179.738 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 596' ' ' ARG . . . . . 0.488 ' O ' ' HA ' ' A' ' 576' ' ' GLU . 0.2 OUTLIER -116.29 169.97 8.89 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.123 -0.985 . . . . 2.8799999999999999 108.851 -179.924 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 597' ' ' GLU . . . . . 0.565 ' HA ' ' O ' ' A' ' 575' ' ' PHE . 13.6 pt-20 -145.66 158.94 43.79 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.163 -0.961 . . . . 1.47 109.853 -179.703 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 598' ' ' TYR . . . . . 1.122 ' CZ ' ' HB1' ' A' ' 609' ' ' ALA . 68.3 t80 -144.71 146.79 32.38 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.554 -0.716 . . . . 1.3500000000000001 109.364 179.223 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 599' ' ' THR . . . . . 0.638 ' HA ' ' O ' ' A' ' 573' ' ' GLU . 0.7 OUTLIER -111.13 105.26 13.92 Favored 'General case' 0 C--N 1.301 -1.526 0 C-N-CA 119.543 -0.863 . . . . 0.68000000000000005 110.222 179.364 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 600' ' ' VAL . . . . . 0.78 HG13 HG23 ' A' ' 515' ' ' VAL . 20.2 t -69.44 115.92 37.45 Favored Pre-proline 0 C--N 1.299 -1.628 0 N-CA-C 108.034 -1.098 . . . . 0.82999999999999996 108.034 179.165 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 601' ' ' PRO . . . . . 0.882 ' HD2' HG21 ' A' ' 515' ' ' VAL . 36.1 Cg_endo -77.49 174.23 13.0 Favored 'Trans proline' 0 C--N 1.307 -1.636 0 C-N-CA 122.833 2.355 . . . . 1.22 110.597 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 602' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -112.03 60.79 0.62 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.343 -0.848 . . . . 3.3199999999999998 109.292 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 603' ' ' ALA . . . . . . . . . . . . . . . -105.4 131.93 52.22 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.133 -0.98 . . . . 2.8799999999999999 109.595 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 604' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -92.71 128.79 38.69 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.196 -0.94 . . . . 3.9700000000000002 109.317 179.922 -133.478 -41.169 -110.635 104.238 2.021 104.281 -160.175 -173.379 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 605' ' ' GLY . . . . . . . . . . . . . . . 103.01 -66.04 0.36 Allowed Glycine 0 N--CA 1.49 2.268 0 N-CA-C 109.283 -1.527 . . . . 2.8999999999999999 109.283 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 606' ' ' THR . . . . . 0.527 ' O ' HG23 ' A' ' 606' ' ' THR . 3.4 t -84.71 73.69 10.56 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.314 -1.109 . . . . 2.73 109.285 179.783 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 607' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.09 61.22 6.73 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.29 -0.881 . . . . 1.95 109.529 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 608' ' ' THR . . . . . 0.426 ' O ' ' CG1' ' A' ' 515' ' ' VAL . 1.0 OUTLIER -113.7 159.31 19.84 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.177 -0.952 . . . . 1.04 109.491 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 609' ' ' ALA . . . . . 1.122 ' HB1' ' CZ ' ' A' ' 598' ' ' TYR . . . -153.31 173.96 14.92 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.189 -0.944 . . . . 0.64000000000000001 109.718 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 610' ' ' THR . . . . . 0.641 ' O ' ' CD1' ' A' ' 598' ' ' TYR . 2.7 m -141.09 144.01 34.66 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.268 -0.895 . . . . 0.70999999999999996 111.89 -178.331 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 611' ' ' VAL . . . . . 0.611 HG23 ' CG1' ' A' ' 517' ' ' VAL . 25.3 t -153.84 102.86 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 N-CA-C 107.285 -1.376 . . . . 0.54000000000000004 107.285 177.176 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 612' ' ' THR . . . . . 0.496 HG23 ' OD2' ' A' ' 520' ' ' ASP . 0.3 OUTLIER -79.55 96.17 6.06 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.1 -1.0 . . . . 0.71999999999999997 111.501 -177.791 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 613' ' ' ASP . . . . . 1.077 ' O ' ' HA ' ' A' ' 521' ' ' LEU . 57.5 m-20 -87.8 129.84 35.06 Favored 'General case' 0 C--N 1.304 -1.399 0 N-CA-C 108.089 -1.078 . . . . 1.46 108.089 177.716 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 23.6 m -103.31 138.31 40.26 Favored 'General case' 0 C--N 1.292 -1.918 0 O-C-N 120.504 -1.372 . . . . 0.5 108.883 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 615' ' ' TRP . . . . . 0.948 ' CB ' ' HG ' ' A' ' 521' ' ' LEU . 5.7 t-105 -117.86 -28.43 5.94 Favored 'General case' 0 C--N 1.302 -1.459 0 C-N-CA 118.302 -1.359 . . . . 0.75 110.216 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 616' ' ' ARG . . . . . 0.616 ' HB2' ' HA ' ' A' ' 523' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.577 0 CA-C-O 117.972 -1.013 . . . . 3.1800000000000002 109.423 -179.916 . . . . . . . . 2 2 . 1 stop_ save_