data_1bak_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 1bak _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 core ' A' A ' 559' ' ' CYS . . . . . 0.607 ' SG ' ' CD2' ' A' ' 562' ' ' HIS . 43.2 t . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 108.328 -0.99 . . . . 1.0 108.328 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 560' ' ' ILE . . . . . 0.664 HG21 ' HG2' ' A' ' 646' ' ' GLU . 3.6 mt -79.26 -60.87 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 1.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 561' ' ' MET . . . . . 0.473 ' SD ' ' CD1' ' A' ' 643' ' ' TRP . 0.0 OUTLIER -134.94 132.6 38.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 1.0 111.003 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 562' ' ' HIS . . . . . 0.607 ' CD2' ' SG ' ' A' ' 559' ' ' CYS . 2.0 p80 -142.72 156.81 45.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 1.0 109.564 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 563' ' ' GLY . . . . . 0.478 ' O ' ' CD1' ' A' ' 580' ' ' TYR . . . 148.42 -157.41 27.3 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.537 1.148 . . . . 1.0 110.985 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 564' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -88.9 127.71 35.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.519 0.776 . . . . 1.0 110.982 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 565' ' ' MET . . . . . 0.556 ' CE ' ' CE3' ' A' ' 643' ' ' TRP . 0.0 OUTLIER -142.9 123.62 14.16 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 1.0 111.02 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 566' ' ' SER . . . . . 0.48 ' OG ' ' O ' ' A' ' 633' ' ' GLN . 0.4 OUTLIER -93.02 127.41 38.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 1.0 109.997 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 567' ' ' LYS . . . . . 0.463 ' HA ' ' O ' ' A' ' 631' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.438 1.086 . . . . 1.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 578' ' ' ARG . . . . . 0.428 ' HA ' ' HB2' ' A' ' 566' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.302 -0.259 . . . . 1.0 110.302 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 579' ' ' ARG . . . . . 0.537 ' O ' ' O ' ' A' ' 565' ' ' MET . 7.8 mtt180 -137.35 156.43 48.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 1.0 110.313 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 580' ' ' TYR . . . . . 0.478 ' CD1' ' O ' ' A' ' 563' ' ' GLY . 0.4 OUTLIER -91.52 124.39 35.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 1.0 111.01 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 581' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -122.77 174.88 6.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 1.0 110.991 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 582' ' ' TYR . . . . . 0.539 ' O ' ' HA ' ' A' ' 588' ' ' LEU . 88.9 m-85 -149.4 113.97 5.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 1.0 111.009 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 583' ' ' LEU . . . . . 0.66 ' CD2' ' HB ' ' A' ' 560' ' ' ILE . 0.7 OUTLIER -87.75 111.69 21.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 1.0 109.331 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 584' ' ' PHE . . . . . 0.601 ' CD2' ' HD2' ' A' ' 585' ' ' PRO . 0.2 OUTLIER -99.13 -177.14 0.55 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 1.0 110.994 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 585' ' ' PRO . . . . . 0.601 ' HD2' ' CD2' ' A' ' 584' ' ' PHE . 18.3 Cg_endo -74.99 -6.08 17.61 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.502 1.791 . . . . 1.0 111.005 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 586' ' ' ASN . . . . . 0.615 ' HA ' ' CG ' ' A' ' 603' ' ' MET . 45.3 m-80 -165.58 -38.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 1.0 109.278 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 587' ' ' ARG . . . . . 0.554 ' HA ' ' HA ' ' A' ' 602' ' ' THR . 0.1 OUTLIER -90.18 -168.9 2.25 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.473 1.108 . . . . 1.0 110.286 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 588' ' ' LEU . . . . . 0.539 ' HA ' ' O ' ' A' ' 582' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 1.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.336 -0.616 . . . . 1.0 109.336 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 602' ' ' THR . . . . . 0.554 ' HA ' ' HA ' ' A' ' 587' ' ' ARG . 0.0 OUTLIER -123.74 -159.68 0.87 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 1.0 110.365 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 603' ' ' MET . . . . . 0.615 ' CG ' ' HA ' ' A' ' 586' ' ' ASN . 0.1 OUTLIER -131.74 38.5 3.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 1.0 111.008 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 604' ' ' GLU . . . . . 0.427 ' HB3' ' HB3' ' A' ' 654' ' ' ALA . 8.2 pt-20 -125.43 59.0 1.27 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 1.0 110.285 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 605' ' ' GLU . . . . . 0.545 ' O ' ' C ' ' A' ' 606' ' ' ILE . 2.6 pt-20 -158.05 -53.9 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 1.0 110.301 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 606' ' ' ILE . . . . . 0.807 ' CG2' ' CD2' ' A' ' 651' ' ' TYR . 0.9 OUTLIER -29.46 136.98 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 1.0 109.285 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 607' ' ' GLN . . . . . 0.562 ' HG2' ' CB ' ' A' ' 625' ' ' ARG . 0.0 OUTLIER -89.16 -39.95 13.23 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.496 1.123 . . . . 1.0 110.297 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 3.1 m -173.72 134.29 0.48 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 1.0 110.022 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 609' ' ' VAL . . . . . 0.624 ' CG2' ' CD ' ' A' ' 644' ' ' LYS . 3.6 p -107.11 135.36 45.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 1.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 610' ' ' GLU . . . . . 0.618 ' O ' ' N ' ' A' ' 621' ' ' LEU . 0.4 OUTLIER -161.31 169.22 22.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 1.0 110.292 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 611' ' ' GLU . . . . . 0.615 ' HA ' ' HA ' ' A' ' 620' ' ' LEU . 22.4 tt0 -120.88 146.87 46.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 1.0 110.257 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 612' ' ' THR . . . . . 0.459 ' N ' ' HG2' ' A' ' 611' ' ' GLU . 1.2 t -107.32 161.71 14.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 1.0 110.384 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 613' ' ' GLN . . . . . 0.432 ' HA ' ' N ' ' A' ' 618' ' ' LYS . 12.6 mp0 -130.07 168.25 17.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 1.0 110.234 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 614' ' ' ILE . . . . . 0.692 ' O ' ' CG2' ' A' ' 614' ' ' ILE . 0.1 OUTLIER -149.31 86.38 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 1.0 109.257 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 615' ' ' LYS . . . . . 0.456 ' HB3' ' O ' ' A' ' 614' ' ' ILE . 15.3 tttt 82.13 -32.98 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 1.0 109.306 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 616' ' ' GLU . . . . . 0.433 ' H ' ' C ' ' A' ' 614' ' ' ILE . 0.9 OUTLIER -156.38 -50.42 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 1.0 110.306 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 3.9 ttt-85 -155.86 142.21 18.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 1.0 110.294 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 618' ' ' LYS . . . . . 0.512 ' HG2' ' CD1' ' A' ' 614' ' ' ILE . 9.3 tptp -124.29 -98.55 0.42 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.474 1.109 . . . . 1.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 619' ' ' CYS . . . . . 0.448 ' HB3' ' O ' ' A' ' 632' ' ' LEU . 0.8 OUTLIER -155.96 175.81 13.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 1.0 108.291 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 620' ' ' LEU . . . . . 0.615 ' HA ' ' HA ' ' A' ' 611' ' ' GLU . 0.7 OUTLIER -89.54 167.21 13.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.15 . . . . 1.0 109.325 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 621' ' ' LEU . . . . . 0.618 ' N ' ' O ' ' A' ' 610' ' ' GLU . 0.3 OUTLIER -132.61 158.9 41.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 1.0 109.269 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 622' ' ' LEU . . . . . 0.677 ' CD2' HG12 ' A' ' 606' ' ' ILE . 0.3 OUTLIER -154.82 89.67 1.25 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 1.0 109.315 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 623' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.47 137.67 32.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 1.0 109.272 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 624' ' ' ILE . . . . . 0.662 ' HA ' ' HA ' ' A' ' 606' ' ' ILE . 90.9 mt -102.55 143.95 14.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 1.0 109.305 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 625' ' ' ARG . . . . . 0.562 ' CB ' ' HG2' ' A' ' 607' ' ' GLN . 21.5 ptt180 -78.87 3.27 17.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 1.0 110.3 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 626' ' ' GLY . . . . . 0.433 ' H ' ' CG2' ' A' ' 624' ' ' ILE . . . -84.41 -25.64 42.5 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.496 1.123 . . . . 1.0 111.048 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 125.05 -1.86 8.4 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 110.973 -0.851 . . . . 1.0 110.973 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 628' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.91 163.54 12.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 0.77 . . . . 1.0 109.259 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -141.81 152.96 44.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 1.0 110.273 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 630' ' ' PHE . . . . . 0.458 ' HB3' ' CG ' ' A' ' 567' ' ' LYS . 20.6 m-85 -141.44 146.43 36.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 1.0 111.024 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 631' ' ' ILE . . . . . 0.499 ' CG2' ' O ' ' A' ' 631' ' ' ILE . 0.2 OUTLIER -105.37 112.53 39.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 1.0 109.321 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 632' ' ' LEU . . . . . 0.527 ' HB2' ' HB3' ' A' ' 620' ' ' LEU . 0.2 OUTLIER -83.01 137.54 34.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 1.0 109.295 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 633' ' ' GLN . . . . . 0.48 ' O ' ' OG ' ' A' ' 566' ' ' SER . 41.2 tt0 -157.13 136.91 12.38 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.502 1.126 . . . . 1.0 110.281 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 634' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -157.49 161.59 38.87 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 1.0 108.275 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 635' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.17 -20.45 37.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.095 . . . . 1.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 636' ' ' SER . . . . . 0.526 ' CB ' ' CG ' ' A' ' 639' ' ' GLU . 4.5 m -88.12 138.09 31.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 1.0 110.03 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 637' ' ' ASP . . . . . 0.679 ' N ' ' CD ' ' A' ' 638' ' ' PRO . 1.1 m-20 -82.87 -41.66 0.87 Allowed Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 1.0 109.339 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 638' ' ' PRO . . . . . 0.679 ' CD ' ' N ' ' A' ' 637' ' ' ASP . 18.2 Cg_endo -75.03 -54.37 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.511 1.795 . . . . 1.0 110.955 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 639' ' ' GLU . . . . . 0.538 ' C ' ' O ' ' A' ' 638' ' ' PRO . 20.6 mm-40 -26.95 -79.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 1.0 110.316 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 640' ' ' LEU . . . . . 0.557 HD13 ' CD2' ' A' ' 620' ' ' LEU . 0.2 OUTLIER -48.82 -46.1 41.42 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.475 1.11 . . . . 1.0 109.28 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 641' ' ' VAL . . . . . 0.513 ' CG1' ' N ' ' A' ' 642' ' ' GLN . 0.8 OUTLIER -46.69 -58.03 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 1.0 109.284 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 642' ' ' GLN . . . . . 0.513 ' N ' ' CG1' ' A' ' 641' ' ' VAL . 0.0 OUTLIER -62.14 -41.58 98.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.132 . . . . 1.0 110.27 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 643' ' ' TRP . . . . . 0.562 ' CZ3' ' HB2' ' A' ' 583' ' ' LEU . 20.0 m95 -53.35 -47.93 68.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 1.0 108.009 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 644' ' ' LYS . . . . . 0.624 ' CD ' ' CG2' ' A' ' 609' ' ' VAL . 0.0 OUTLIER -57.49 -62.55 1.7 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 1.0 109.28 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 645' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 644' ' ' LYS . 0.1 OUTLIER -37.44 -57.58 0.91 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.439 1.087 . . . . 1.0 109.34 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 646' ' ' GLU . . . . . 0.664 ' HG2' HG21 ' A' ' 560' ' ' ILE . 2.4 mp0 -68.84 -32.41 72.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 1.0 110.297 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 647' ' ' LEU . . . . . 0.609 ' HB2' ' HA ' ' A' ' 644' ' ' LYS . 10.9 mt -67.8 -62.09 1.57 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.437 1.086 . . . . 1.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 648' ' ' ARG . . . . . 0.577 ' N ' ' O ' ' A' ' 644' ' ' LYS . 9.1 ttp-105 -38.24 -55.47 1.32 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 1.0 110.27 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 649' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -59.09 -46.09 89.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 1.0 109.312 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 650' ' ' ALA . . . . . 0.548 ' O ' ' SD ' ' A' ' 603' ' ' MET . . . -48.34 -51.22 27.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 1.0 109.283 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 651' ' ' TYR . . . . . 0.807 ' CD2' ' CG2' ' A' ' 606' ' ' ILE . 2.1 m-30 -72.29 -38.83 68.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 1.0 110.994 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 652' ' ' ARG . . . . . 0.507 ' O ' ' HB2' ' A' ' 655' ' ' GLN . 0.0 OUTLIER -62.29 -64.55 0.89 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 1.0 110.282 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 653' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -44.01 -53.96 5.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 1.0 110.307 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 654' ' ' ALA . . . . . 0.427 ' HB3' ' HB3' ' A' ' 604' ' ' GLU . . . -47.23 -38.6 12.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 1.0 109.288 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 655' ' ' GLN . . . . . 0.507 ' HB2' ' O ' ' A' ' 652' ' ' ARG . 60.9 mt-30 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 1.0 110.261 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 559' ' ' CYS . . . . . . . . . . . . . 2.9 t . . . . . 0 N--CA 1.454 -0.248 0 N-CA-C 108.279 -1.008 . . . . 1.0 108.279 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 560' ' ' ILE . . . . . 0.705 ' HB ' ' CD2' ' A' ' 583' ' ' LEU . 11.1 mt -101.44 -57.56 4.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 1.0 109.319 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 561' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -147.48 150.85 35.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 1.0 111.019 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 562' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -150.42 151.77 33.3 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.444 1.09 . . . . 1.0 109.638 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 563' ' ' GLY . . . . . 0.411 ' N ' ' HZ2' ' A' ' 643' ' ' TRP . . . 166.06 -163.5 36.84 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.534 1.146 . . . . 1.0 111.035 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 564' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -94.16 126.61 39.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 0.734 . . . . 1.0 110.991 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 565' ' ' MET . . . . . 0.579 ' O ' ' O ' ' A' ' 579' ' ' ARG . 20.8 mtm -144.44 148.64 34.85 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.476 1.11 . . . . 1.0 110.976 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 566' ' ' SER . . . . . 0.497 ' OG ' ' O ' ' A' ' 633' ' ' GLN . 0.1 OUTLIER -112.51 133.1 54.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 1.0 109.959 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 567' ' ' LYS . . . . . 0.616 ' HD3' ' CD1' ' A' ' 630' ' ' PHE . 2.0 tmmt? . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 1.0 109.271 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 578' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.292 -0.262 . . . . 1.0 110.292 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 579' ' ' ARG . . . . . 0.579 ' O ' ' O ' ' A' ' 565' ' ' MET . 1.3 mtt180 -137.84 168.87 18.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 1.0 110.269 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 580' ' ' TYR . . . . . 0.624 ' CD1' ' CE1' ' A' ' 582' ' ' TYR . 0.8 OUTLIER -89.34 127.69 35.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.4 1.062 . . . . 1.0 110.989 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 581' ' ' PHE . . . . . 0.496 ' CZ ' ' HE3' ' A' ' 567' ' ' LYS . 2.7 m-85 -117.82 169.96 9.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 1.0 111.067 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 582' ' ' TYR . . . . . 0.624 ' CE1' ' CD1' ' A' ' 580' ' ' TYR . 39.8 m-85 -153.24 109.8 3.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 1.0 111.005 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 583' ' ' LEU . . . . . 0.712 HD23 ' HB3' ' A' ' 646' ' ' GLU . 1.0 OUTLIER -88.86 115.81 26.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 1.0 109.285 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 584' ' ' PHE . . . . . 0.578 ' CD2' ' HD2' ' A' ' 585' ' ' PRO . 0.3 OUTLIER -104.88 179.05 1.0 Allowed Pre-proline 0 C--N 1.324 -0.534 0 O-C-N 124.584 1.178 . . . . 1.0 110.931 -179.955 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 585' ' ' PRO . . . . . 0.578 ' HD2' ' CD2' ' A' ' 584' ' ' PHE . 18.6 Cg_endo -74.98 -2.03 12.0 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.42 1.748 . . . . 1.0 110.935 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 586' ' ' ASN . . . . . 0.813 ' O ' ' HG3' ' A' ' 603' ' ' MET . 3.5 m120 -164.74 -41.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.421 1.075 . . . . 1.0 109.289 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 587' ' ' ARG . . . . . 0.608 ' HA ' ' HA ' ' A' ' 602' ' ' THR . 0.1 OUTLIER -91.36 -173.14 3.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 1.09 . . . . 1.0 110.327 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 588' ' ' LEU . . . . . 0.583 ' HA ' ' O ' ' A' ' 582' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.4 1.062 . . . . 1.0 109.311 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 1.1 tp . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.266 -0.642 . . . . 1.0 109.266 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 602' ' ' THR . . . . . 0.608 ' HA ' ' HA ' ' A' ' 587' ' ' ARG . 0.1 OUTLIER -114.29 -162.72 0.83 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 1.0 110.398 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 603' ' ' MET . . . . . 0.813 ' HG3' ' O ' ' A' ' 586' ' ' ASN . 0.0 OUTLIER -123.77 39.16 4.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 1.0 111.045 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 604' ' ' GLU . . . . . 0.473 ' HA ' ' HB2' ' A' ' 654' ' ' ALA . 13.6 pt-20 -125.89 58.23 1.34 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.45 1.094 . . . . 1.0 110.231 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 605' ' ' GLU . . . . . 0.508 ' O ' ' C ' ' A' ' 606' ' ' ILE . 4.0 pt-20 -158.7 -53.55 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 1.0 110.254 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 606' ' ' ILE . . . . . 0.85 ' CG2' ' CD2' ' A' ' 651' ' ' TYR . 0.9 OUTLIER -32.43 139.41 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.437 1.086 . . . . 1.0 109.349 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 607' ' ' GLN . . . . . 0.565 ' HG3' ' HA ' ' A' ' 625' ' ' ARG . 0.6 OUTLIER -92.79 -37.67 12.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 1.0 110.335 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 608' ' ' SER . . . . . 0.42 ' HB2' ' HD3' ' A' ' 623' ' ' LYS . 3.4 m -174.05 135.24 0.47 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.383 1.052 . . . . 1.0 110.019 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 609' ' ' VAL . . . . . 0.547 ' CG2' ' CD ' ' A' ' 644' ' ' LYS . 3.2 p -109.34 138.98 34.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.539 1.149 . . . . 1.0 109.261 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 610' ' ' GLU . . . . . 0.493 ' HG3' ' CD2' ' A' ' 621' ' ' LEU . 0.1 OUTLIER -158.71 -163.71 1.3 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.631 1.207 . . . . 1.0 110.347 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 611' ' ' GLU . . . . . 0.524 ' HA ' ' HA ' ' A' ' 620' ' ' LEU . 21.2 tt0 -140.54 147.33 39.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.568 1.168 . . . . 1.0 110.324 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 612' ' ' THR . . . . . 0.558 ' C ' ' HB3' ' A' ' 618' ' ' LYS . 0.0 OUTLIER -111.65 163.71 13.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 1.0 110.431 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 7.8 mp0 -129.56 165.39 21.8 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.548 1.155 . . . . 1.0 110.344 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 614' ' ' ILE . . . . . 0.713 ' O ' ' CG2' ' A' ' 614' ' ' ILE . 0.1 OUTLIER -148.87 83.95 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.569 1.168 . . . . 1.0 109.279 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 615' ' ' LYS . . . . . 0.432 ' HB2' ' O ' ' A' ' 614' ' ' ILE . 0.1 OUTLIER 81.51 -32.92 0.1 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.512 1.132 . . . . 1.0 109.242 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 616' ' ' GLU . . . . . 0.44 ' H ' ' C ' ' A' ' 614' ' ' ILE . 3.0 tt0 -156.92 -47.95 0.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.581 1.176 . . . . 1.0 110.296 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 617' ' ' ARG . . . . . 0.524 ' CZ ' ' OD2' ' A' ' 637' ' ' ASP . 1.2 ttt180 -156.09 138.95 15.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.133 . . . . 1.0 110.215 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 618' ' ' LYS . . . . . 0.558 ' HB3' ' C ' ' A' ' 612' ' ' THR . 7.5 tptt -119.2 -98.2 0.45 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.153 . . . . 1.0 109.267 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 619' ' ' CYS . . . . . 0.498 ' HB3' ' O ' ' A' ' 632' ' ' LEU . 39.4 m -156.6 -171.42 3.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.571 1.17 . . . . 1.0 108.286 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 620' ' ' LEU . . . . . 0.575 ' CD1' ' CD1' ' A' ' 640' ' ' LEU . 0.1 OUTLIER -96.66 147.35 23.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.595 1.184 . . . . 1.0 109.263 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 621' ' ' LEU . . . . . 0.493 ' CD2' ' HG3' ' A' ' 610' ' ' GLU . 7.1 tp -102.37 156.95 17.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 1.0 109.369 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 622' ' ' LEU . . . . . 0.673 ' CD2' HG12 ' A' ' 606' ' ' ILE . 0.7 OUTLIER -160.25 84.6 0.72 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.57 1.169 . . . . 1.0 109.365 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 623' ' ' LYS . . . . . 0.42 ' HD3' ' HB2' ' A' ' 608' ' ' SER . 0.0 OUTLIER -90.23 136.18 33.21 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.546 1.154 . . . . 1.0 109.272 -179.946 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 624' ' ' ILE . . . . . 0.637 ' HA ' ' HA ' ' A' ' 606' ' ' ILE . 1.7 mm -98.68 143.94 12.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.431 1.082 . . . . 1.0 109.266 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 625' ' ' ARG . . . . . 0.565 ' HA ' ' HG3' ' A' ' 607' ' ' GLN . 0.0 OUTLIER -78.51 3.46 15.93 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.432 1.082 . . . . 1.0 110.306 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 626' ' ' GLY . . . . . . . . . . . . . . . -87.03 -29.81 21.97 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.526 1.141 . . . . 1.0 110.955 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 133.36 -6.52 4.98 Favored Glycine 0 CA--C 1.531 1.045 0 N-CA-C 111.029 -0.828 . . . . 1.0 111.029 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 628' ' ' LYS . . . . . . . . . . . . . 21.4 mtmt -98.67 167.15 10.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 0.753 . . . . 1.0 109.259 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -140.33 142.32 35.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 1.0 110.247 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 630' ' ' PHE . . . . . 0.616 ' CD1' ' HD3' ' A' ' 567' ' ' LYS . 0.5 OUTLIER -132.7 159.38 39.82 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.574 1.171 . . . . 1.0 111.001 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 631' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -137.87 125.05 28.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.382 1.051 . . . . 1.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 632' ' ' LEU . . . . . 0.498 ' O ' ' HB3' ' A' ' 619' ' ' CYS . 0.4 OUTLIER -93.52 152.01 19.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 1.0 109.305 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 633' ' ' GLN . . . . . 0.497 ' O ' ' OG ' ' A' ' 566' ' ' SER . 8.0 tp60 -155.34 114.92 3.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.098 . . . . 1.0 110.35 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 634' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -126.35 159.74 32.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.159 . . . . 1.0 108.328 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 635' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.77 -22.29 46.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 1.0 109.226 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 636' ' ' SER . . . . . 0.569 ' HB2' ' CG ' ' A' ' 639' ' ' GLU . 1.5 m -90.14 157.03 17.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 1.0 109.99 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 637' ' ' ASP . . . . . 0.693 ' N ' ' CD ' ' A' ' 638' ' ' PRO . 0.3 OUTLIER -91.77 -40.86 0.37 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 1.0 109.337 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 638' ' ' PRO . . . . . 0.693 ' CD ' ' N ' ' A' ' 637' ' ' ASP . 18.5 Cg_endo -74.99 -55.54 0.07 OUTLIER 'Trans proline' 0 C--N 1.358 1.07 0 O-C-N 124.485 1.781 . . . . 1.0 111.04 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 639' ' ' GLU . . . . . 0.584 ' C ' ' O ' ' A' ' 638' ' ' PRO . 13.8 mm-40 -23.05 -83.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 1.0 110.336 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 640' ' ' LEU . . . . . 0.575 ' CD1' ' CD1' ' A' ' 620' ' ' LEU . 0.2 OUTLIER -47.83 -46.72 31.22 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.537 1.148 . . . . 1.0 109.349 179.927 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 641' ' ' VAL . . . . . 0.518 ' N ' ' O ' ' A' ' 638' ' ' PRO . 0.8 OUTLIER -46.23 -57.3 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 1.0 109.331 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 642' ' ' GLN . . . . . 0.51 ' N ' ' CG1' ' A' ' 641' ' ' VAL . 0.0 OUTLIER -63.68 -41.45 98.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 1.0 110.24 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 643' ' ' TRP . . . . . 0.537 ' CE3' ' HE3' ' A' ' 565' ' ' MET . 19.5 m95 -53.66 -46.2 70.51 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.567 1.167 . . . . 1.0 108.007 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 644' ' ' LYS . . . . . 0.547 ' CD ' ' CG2' ' A' ' 609' ' ' VAL . 0.1 OUTLIER -56.18 -59.08 5.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 1.0 109.291 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 645' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 644' ' ' LYS . 0.1 OUTLIER -38.9 -54.38 1.65 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 1.0 109.292 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 646' ' ' GLU . . . . . 0.712 ' HB3' HD23 ' A' ' 583' ' ' LEU . 0.2 OUTLIER -70.06 -35.11 74.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.588 1.18 . . . . 1.0 110.346 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 647' ' ' LEU . . . . . 0.592 HD21 ' CE1' ' A' ' 651' ' ' TYR . 5.4 mt -65.65 -60.39 2.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 1.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 648' ' ' ARG . . . . . 0.529 ' N ' ' O ' ' A' ' 644' ' ' LYS . 2.5 ttm180 -39.58 -51.91 2.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 1.0 110.291 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 649' ' ' ASP . . . . . 0.492 ' O ' ' N ' ' A' ' 653' ' ' GLU . 12.7 t0 -61.36 -42.07 98.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 1.0 109.352 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 650' ' ' ALA . . . . . 0.502 ' HB2' ' CB ' ' A' ' 603' ' ' MET . . . -53.28 -53.69 47.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 1.0 109.325 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 651' ' ' TYR . . . . . 0.85 ' CD2' ' CG2' ' A' ' 606' ' ' ILE . 5.9 m-30 -67.93 -29.38 68.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 1.0 110.972 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 652' ' ' ARG . . . . . 0.534 ' O ' ' HG2' ' A' ' 655' ' ' GLN . 0.0 OUTLIER -76.57 -70.73 0.43 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 1.0 110.273 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 653' ' ' GLU . . . . . 0.492 ' N ' ' O ' ' A' ' 649' ' ' ASP . 34.1 mt-10 -36.25 -33.17 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.424 1.077 . . . . 1.0 110.286 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 654' ' ' ALA . . . . . 0.491 ' CB ' ' SD ' ' A' ' 603' ' ' MET . . . -79.01 -51.04 10.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.087 . . . . 1.0 109.245 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 655' ' ' GLN . . . . . 0.534 ' HG2' ' O ' ' A' ' 652' ' ' ARG . 1.1 pt20 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.103 . . . . 1.0 110.185 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 559' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 108.349 -0.982 . . . . 1.0 108.349 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 560' ' ' ILE . . . . . 0.649 HD13 ' HA ' ' A' ' 585' ' ' PRO . 7.5 mt -84.61 -53.97 9.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.449 1.093 . . . . 1.0 109.32 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 561' ' ' MET . . . . . 0.51 ' HB2' ' OE1' ' A' ' 646' ' ' GLU . 0.0 OUTLIER -140.63 162.36 35.58 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.618 1.199 . . . . 1.0 111.034 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 562' ' ' HIS . . . . . . . . . . . . . 2.6 p80 -155.79 174.72 14.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.099 . . . . 1.0 109.626 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 563' ' ' GLY . . . . . . . . . . . . . . . 132.37 -161.49 23.93 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.441 1.088 . . . . 1.0 111.019 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 564' ' ' TYR . . . . . 0.41 ' HE1' ' CA ' ' A' ' 579' ' ' ARG . 0.2 OUTLIER -91.47 127.64 36.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.583 0.814 . . . . 1.0 111.024 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 565' ' ' MET . . . . . 0.588 ' O ' ' O ' ' A' ' 579' ' ' ARG . 0.0 OUTLIER -143.67 131.57 21.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 1.0 111.018 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 566' ' ' SER . . . . . 0.455 ' HB2' ' HA ' ' A' ' 578' ' ' ARG . 0.2 OUTLIER -105.78 140.03 39.45 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.591 1.182 . . . . 1.0 109.978 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 567' ' ' LYS . . . . . 0.598 ' HD3' ' CD1' ' A' ' 630' ' ' PHE . 0.8 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 1.0 109.242 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 578' ' ' ARG . . . . . 0.455 ' HA ' ' HB2' ' A' ' 566' ' ' SER . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.314 -0.254 . . . . 1.0 110.314 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 579' ' ' ARG . . . . . 0.588 ' O ' ' O ' ' A' ' 565' ' ' MET . 18.3 mtp180 -135.33 164.93 26.62 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.61 1.194 . . . . 1.0 110.332 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 580' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -89.08 129.3 35.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 1.0 110.92 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 581' ' ' PHE . . . . . 0.483 ' HB2' ' HB2' ' A' ' 565' ' ' MET . 2.7 m-85 -118.15 175.46 5.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.144 . . . . 1.0 111.048 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 582' ' ' TYR . . . . . 0.477 ' O ' ' HA ' ' A' ' 588' ' ' LEU . 60.6 m-85 -152.84 122.46 6.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 1.0 110.974 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 583' ' ' LEU . . . . . 0.775 ' HB2' ' CZ3' ' A' ' 643' ' ' TRP . 5.5 tp -92.59 114.65 27.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.147 . . . . 1.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 584' ' ' PHE . . . . . 0.556 ' HB2' ' C ' ' A' ' 587' ' ' ARG . 7.3 m-85 -106.58 172.59 3.76 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.419 1.075 . . . . 1.0 110.997 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 585' ' ' PRO . . . . . 0.649 ' HA ' HD13 ' A' ' 560' ' ' ILE . 18.1 Cg_endo -75.03 8.81 2.26 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.541 1.811 . . . . 1.0 111.007 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 586' ' ' ASN . . . . . 0.76 ' HA ' ' CG ' ' A' ' 603' ' ' MET . 39.1 m-20 -176.72 -38.81 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.524 1.14 . . . . 1.0 109.338 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 587' ' ' ARG . . . . . 0.66 ' HA ' ' HA ' ' A' ' 602' ' ' THR . 2.6 mtt-85 -87.91 -168.66 2.29 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 1.0 110.254 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 588' ' ' LEU . . . . . 0.477 ' HA ' ' O ' ' A' ' 582' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 1.0 109.348 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 4.0 mt . . . . . 0 N--CA 1.452 -0.37 0 N-CA-C 109.312 -0.625 . . . . 1.0 109.312 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 602' ' ' THR . . . . . 0.66 ' HA ' ' HA ' ' A' ' 587' ' ' ARG . 0.0 OUTLIER -114.23 -167.35 1.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 1.0 110.356 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 603' ' ' MET . . . . . 0.76 ' CG ' ' HA ' ' A' ' 586' ' ' ASN . 0.1 OUTLIER -127.05 34.78 4.69 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.399 1.062 . . . . 1.0 111.023 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 604' ' ' GLU . . . . . 0.528 ' HA ' ' HB2' ' A' ' 654' ' ' ALA . 3.9 pt-20 -124.84 60.96 1.17 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.44 1.088 . . . . 1.0 110.361 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 605' ' ' GLU . . . . . 0.494 ' O ' ' C ' ' A' ' 606' ' ' ILE . 3.7 pt-20 -159.29 -51.04 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.117 . . . . 1.0 110.271 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 606' ' ' ILE . . . . . 0.962 ' CG2' ' CD2' ' A' ' 651' ' ' TYR . 0.9 OUTLIER -33.84 142.28 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.549 1.156 . . . . 1.0 109.298 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 607' ' ' GLN . . . . . 0.623 ' HG2' ' CB ' ' A' ' 625' ' ' ARG . 0.0 OUTLIER -93.75 -38.94 11.02 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.524 1.14 . . . . 1.0 110.27 -179.931 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -173.46 136.76 0.61 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 1.0 109.901 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 609' ' ' VAL . . . . . 0.522 ' CG2' ' HD3' ' A' ' 644' ' ' LYS . 5.3 p -109.96 141.47 25.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 1.0 109.332 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 610' ' ' GLU . . . . . 0.524 ' HG3' ' CD2' ' A' ' 621' ' ' LEU . 0.4 OUTLIER -161.16 -169.65 2.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 1.0 110.306 -179.937 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 611' ' ' GLU . . . . . 0.599 ' HA ' ' HA ' ' A' ' 620' ' ' LEU . 26.2 tt0 -137.83 149.07 46.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.153 . . . . 1.0 110.328 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 612' ' ' THR . . . . . 0.548 ' C ' ' HB3' ' A' ' 618' ' ' LYS . 0.0 OUTLIER -114.74 165.99 12.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 1.0 110.339 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 10.7 mp0 -133.57 160.9 36.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 1.0 110.337 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 614' ' ' ILE . . . . . 0.666 ' O ' ' CG2' ' A' ' 614' ' ' ILE . 0.2 OUTLIER -144.84 86.09 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 O-C-N 124.562 1.164 . . . . 1.0 109.282 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 615' ' ' LYS . . . . . 0.412 ' CB ' ' O ' ' A' ' 614' ' ' ILE . 10.5 mmtm 81.9 -35.37 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.432 1.082 . . . . 1.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 616' ' ' GLU . . . . . 0.433 ' H ' ' C ' ' A' ' 614' ' ' ILE . 1.4 tt0 -155.6 -48.73 0.08 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.45 1.094 . . . . 1.0 110.288 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 5.6 ttt85 -153.41 138.11 16.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.57 1.169 . . . . 1.0 110.343 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 618' ' ' LYS . . . . . 0.556 ' HG2' ' CD1' ' A' ' 614' ' ' ILE . 9.3 tptt -118.83 -97.52 0.46 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.438 1.086 . . . . 1.0 109.242 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 619' ' ' CYS . . . . . 0.498 ' O ' ' CG ' ' A' ' 611' ' ' GLU . 18.0 m -158.36 -169.77 2.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 1.0 108.251 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 620' ' ' LEU . . . . . 0.599 ' HA ' ' HA ' ' A' ' 611' ' ' GLU . 0.1 OUTLIER -102.94 148.33 25.81 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.541 1.151 . . . . 1.0 109.299 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 621' ' ' LEU . . . . . 0.524 ' CD2' ' HG3' ' A' ' 610' ' ' GLU . 4.9 tp -103.5 156.54 17.69 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.486 1.116 . . . . 1.0 109.306 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 622' ' ' LEU . . . . . 0.612 ' CD2' HG12 ' A' ' 606' ' ' ILE . 0.9 OUTLIER -157.14 84.37 0.93 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.449 1.093 . . . . 1.0 109.305 179.934 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 623' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.28 138.26 31.59 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.534 1.146 . . . . 1.0 109.349 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 624' ' ' ILE . . . . . 0.639 ' HA ' ' HA ' ' A' ' 606' ' ' ILE . 35.9 mt -103.99 145.02 13.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 1.0 109.233 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 625' ' ' ARG . . . . . 0.623 ' CB ' ' HG2' ' A' ' 607' ' ' GLN . 5.0 ptm180 -79.91 2.17 24.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 1.0 110.338 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 626' ' ' GLY . . . . . . . . . . . . . . . -89.49 -21.33 41.1 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.492 1.12 . . . . 1.0 110.993 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 116.99 43.52 0.61 Allowed Glycine 0 CA--C 1.53 0.986 0 N-CA-C 110.976 -0.85 . . . . 1.0 110.976 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 628' ' ' LYS . . . . . . . . . . . . . 11.9 mttt -139.56 171.38 14.32 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.478 0.752 . . . . 1.0 109.303 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 15.9 mp0 -149.91 126.86 11.15 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.51 1.131 . . . . 1.0 110.337 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 630' ' ' PHE . . . . . 0.598 ' CD1' ' HD3' ' A' ' 567' ' ' LYS . 1.0 OUTLIER -123.53 167.78 13.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.425 1.078 . . . . 1.0 111.044 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 631' ' ' ILE . . . . . 0.503 ' O ' ' HG2' ' A' ' 567' ' ' LYS . 0.2 OUTLIER -144.64 115.67 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 1.0 109.248 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 632' ' ' LEU . . . . . 0.513 ' CG ' HD11 ' A' ' 622' ' ' LEU . 0.5 OUTLIER -84.03 154.28 23.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.563 1.165 . . . . 1.0 109.276 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 633' ' ' GLN . . . . . 0.448 ' CG ' ' C ' ' A' ' 632' ' ' LEU . 4.0 mt-30 -154.39 133.42 12.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 1.0 110.326 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 634' ' ' CYS . . . . . . . . . . . . . 1.6 t -155.45 162.53 40.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.535 1.147 . . . . 1.0 108.271 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 635' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -84.17 -16.68 42.61 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.112 . . . . 1.0 109.329 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 636' ' ' SER . . . . . 0.598 ' CB ' ' CG ' ' A' ' 639' ' ' GLU . 1.0 OUTLIER -86.93 133.66 33.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 1.0 109.941 -179.892 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 637' ' ' ASP . . . . . 0.662 ' N ' ' CD ' ' A' ' 638' ' ' PRO . 1.2 m-20 -78.29 -43.12 2.11 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.428 1.08 . . . . 1.0 109.319 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 638' ' ' PRO . . . . . 0.662 ' CD ' ' N ' ' A' ' 637' ' ' ASP . 18.0 Cg_endo -75.01 -51.18 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.592 1.838 . . . . 1.0 110.998 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 639' ' ' GLU . . . . . 0.598 ' CG ' ' CB ' ' A' ' 636' ' ' SER . 58.9 mm-40 -26.52 -80.66 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.487 1.117 . . . . 1.0 110.339 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 640' ' ' LEU . . . . . 0.578 ' CD1' ' CD1' ' A' ' 620' ' ' LEU . 0.2 OUTLIER -49.89 -45.37 50.67 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.489 1.118 . . . . 1.0 109.343 179.941 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 641' ' ' VAL . . . . . 0.514 ' CG1' ' N ' ' A' ' 642' ' ' GLN . 0.8 OUTLIER -47.24 -58.0 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.529 1.143 . . . . 1.0 109.29 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 642' ' ' GLN . . . . . 0.514 ' N ' ' CG1' ' A' ' 641' ' ' VAL . 1.1 tt0 -64.8 -38.5 91.19 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.55 1.156 . . . . 1.0 110.187 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 643' ' ' TRP . . . . . 0.775 ' CZ3' ' HB2' ' A' ' 583' ' ' LEU . 20.6 m95 -57.45 -41.65 80.93 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 1.0 108.049 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 644' ' ' LYS . . . . . 0.646 ' HA ' ' HB2' ' A' ' 647' ' ' LEU . 0.0 OUTLIER -60.15 -57.1 14.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 1.0 109.365 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 645' ' ' LYS . . . . . 0.402 ' HD3' ' C ' ' A' ' 645' ' ' LYS . 0.1 OUTLIER -40.7 -51.26 3.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 1.0 109.332 179.942 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 646' ' ' GLU . . . . . 0.612 ' HB2' HD21 ' A' ' 583' ' ' LEU . 5.5 mt-10 -75.54 -33.49 60.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 1.0 110.21 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 647' ' ' LEU . . . . . 0.646 ' HB2' ' HA ' ' A' ' 644' ' ' LYS . 2.5 mt -65.99 -64.18 0.92 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.441 1.088 . . . . 1.0 109.263 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 648' ' ' ARG . . . . . 0.527 ' N ' ' O ' ' A' ' 644' ' ' LYS . 6.1 ttt180 -43.6 -47.81 7.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 1.0 110.285 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 649' ' ' ASP . . . . . 0.542 ' O ' ' N ' ' A' ' 653' ' ' GLU . 12.4 t70 -65.08 -48.72 72.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.614 1.196 . . . . 1.0 109.242 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 650' ' ' ALA . . . . . 0.445 ' CB ' ' SD ' ' A' ' 603' ' ' MET . . . -46.97 -40.84 15.18 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.499 1.124 . . . . 1.0 109.257 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 651' ' ' TYR . . . . . 0.962 ' CD2' ' CG2' ' A' ' 606' ' ' ILE . 12.5 m-30 -80.17 -42.6 23.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 1.0 111.02 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 652' ' ' ARG . . . . . 0.493 ' CD ' ' HA ' ' A' ' 649' ' ' ASP . 0.1 OUTLIER -67.53 -37.43 82.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.086 . . . . 1.0 110.325 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 653' ' ' GLU . . . . . 0.542 ' N ' ' O ' ' A' ' 649' ' ' ASP . 1.1 tt0 -68.39 -38.19 81.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 1.0 110.332 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 654' ' ' ALA . . . . . 0.528 ' HB2' ' HA ' ' A' ' 604' ' ' GLU . . . -77.09 -54.24 6.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 1.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 655' ' ' GLN . . . . . 0.462 ' HG2' ' O ' ' A' ' 652' ' ' ARG . 10.9 pt20 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 1.0 110.317 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 559' ' ' CYS . . . . . . . . . . . . . 3.5 t . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 108.294 -1.002 . . . . 1.0 108.294 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 560' ' ' ILE . . . . . 0.871 HD13 ' HA ' ' A' ' 585' ' ' PRO . 37.9 mt -95.53 -68.07 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 1.0 109.348 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 561' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -135.72 149.5 49.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 1.0 111.011 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 562' ' ' HIS . . . . . . . . . . . . . 5.8 p80 -140.61 165.36 27.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.417 1.073 . . . . 1.0 109.708 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 563' ' ' GLY . . . . . . . . . . . . . . . 148.33 -164.34 29.0 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.461 1.1 . . . . 1.0 110.996 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 564' ' ' TYR . . . . . 0.408 ' OH ' ' NE ' ' A' ' 578' ' ' ARG . 0.2 OUTLIER -96.32 126.78 41.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 0.75 . . . . 1.0 110.945 -179.942 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 565' ' ' MET . . . . . 0.543 ' HB2' ' HB2' ' A' ' 581' ' ' PHE . 0.0 OUTLIER -140.39 133.1 28.91 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.511 1.132 . . . . 1.0 111.022 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 566' ' ' SER . . . . . 0.655 ' OG ' ' O ' ' A' ' 633' ' ' GLN . 9.0 p -111.22 127.56 55.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.581 1.175 . . . . 1.0 109.975 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 567' ' ' LYS . . . . . 0.615 ' HD2' ' CD2' ' A' ' 630' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 1.0 109.254 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 578' ' ' ARG . . . . . 0.538 ' HA ' ' HB2' ' A' ' 566' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.294 -0.261 . . . . 1.0 110.294 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 579' ' ' ARG . . . . . 0.447 ' O ' ' O ' ' A' ' 565' ' ' MET . 42.5 mtt180 -155.02 -178.17 7.05 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.506 1.129 . . . . 1.0 110.301 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 580' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -88.39 131.22 34.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.432 1.083 . . . . 1.0 111.035 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 581' ' ' PHE . . . . . 0.543 ' HB2' ' HB2' ' A' ' 565' ' ' MET . 4.1 m-85 -117.69 165.99 12.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 1.0 111.052 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 582' ' ' TYR . . . . . 0.476 ' O ' ' HA ' ' A' ' 588' ' ' LEU . 4.4 m-85 -146.4 116.8 7.48 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.534 1.146 . . . . 1.0 110.982 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 583' ' ' LEU . . . . . 0.693 ' HB2' ' CZ3' ' A' ' 643' ' ' TRP . 5.7 tp -91.2 116.01 28.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 1.0 109.38 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 584' ' ' PHE . . . . . 0.506 ' HB2' ' O ' ' A' ' 587' ' ' ARG . 0.6 OUTLIER -108.65 174.19 2.58 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 1.0 110.966 -179.92 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 585' ' ' PRO . . . . . 0.871 ' HA ' HD13 ' A' ' 560' ' ' ILE . 18.1 Cg_endo -75.02 -1.43 11.22 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.521 1.801 . . . . 1.0 110.99 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 586' ' ' ASN . . . . . 0.61 ' HA ' ' CG ' ' A' ' 603' ' ' MET . 3.2 m120 -165.81 -40.49 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 1.0 109.24 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 587' ' ' ARG . . . . . 0.538 ' HA ' ' HA ' ' A' ' 602' ' ' THR . 2.5 mtp180 -90.08 -167.73 1.92 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 1.0 110.283 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 588' ' ' LEU . . . . . 0.504 HD13 ' C ' ' A' ' 588' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.52 0 O-C-N 124.417 1.073 . . . . 1.0 109.385 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.369 -0.604 . . . . 1.0 109.369 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 602' ' ' THR . . . . . 0.538 ' HA ' ' HA ' ' A' ' 587' ' ' ARG . 0.1 OUTLIER -118.12 -160.43 0.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 1.0 110.414 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 603' ' ' MET . . . . . 0.61 ' CG ' ' HA ' ' A' ' 586' ' ' ASN . 0.1 OUTLIER -137.42 37.1 2.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.103 . . . . 1.0 111.058 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -125.26 57.46 1.31 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.435 1.084 . . . . 1.0 110.317 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 605' ' ' GLU . . . . . 0.522 ' O ' ' C ' ' A' ' 606' ' ' ILE . 3.9 pt-20 -158.77 -55.52 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 1.0 110.276 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 606' ' ' ILE . . . . . 0.887 ' CG2' ' CD2' ' A' ' 651' ' ' TYR . 0.9 OUTLIER -30.93 137.42 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 1.0 109.293 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 607' ' ' GLN . . . . . 0.522 ' HG2' ' CB ' ' A' ' 625' ' ' ARG . 0.0 OUTLIER -87.73 -39.49 14.91 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 1.0 110.27 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 1.5 m -174.81 135.32 0.38 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 1.0 110.03 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 609' ' ' VAL . . . . . 0.462 ' CG2' ' CD ' ' A' ' 644' ' ' LYS . 3.1 p -107.63 140.81 24.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.463 1.102 . . . . 1.0 109.23 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 610' ' ' GLU . . . . . 0.517 ' HG3' ' CD2' ' A' ' 621' ' ' LEU . 0.2 OUTLIER -158.51 -167.92 2.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 1.0 110.331 179.945 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 611' ' ' GLU . . . . . 0.637 ' HA ' ' HA ' ' A' ' 620' ' ' LEU . 27.4 tt0 -140.37 149.02 42.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.389 1.056 . . . . 1.0 110.333 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 612' ' ' THR . . . . . 0.556 ' C ' ' HB3' ' A' ' 618' ' ' LYS . 0.0 OUTLIER -115.23 164.79 13.72 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.546 1.154 . . . . 1.0 110.397 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 11.1 mp0 -128.54 163.92 23.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 1.0 110.341 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 614' ' ' ILE . . . . . 0.72 ' O ' ' CG2' ' A' ' 614' ' ' ILE . 0.1 OUTLIER -148.16 83.19 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.414 1.071 . . . . 1.0 109.347 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 615' ' ' LYS . . . . . 0.438 ' HB3' ' O ' ' A' ' 614' ' ' ILE . 9.0 ttmt 81.39 -33.13 0.1 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.438 1.087 . . . . 1.0 109.252 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 616' ' ' GLU . . . . . 0.442 ' H ' ' C ' ' A' ' 614' ' ' ILE . 1.9 tt0 -156.77 -47.67 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 1.0 110.298 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 12.2 ttt-85 -156.49 137.69 13.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.581 1.175 . . . . 1.0 110.245 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 618' ' ' LYS . . . . . 0.556 ' HB3' ' C ' ' A' ' 612' ' ' THR . 2.1 tptt -117.66 -98.05 0.46 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 1.0 109.264 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 619' ' ' CYS . . . . . 0.484 ' O ' ' CG ' ' A' ' 611' ' ' GLU . 25.5 m -157.35 -173.19 4.3 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.587 1.179 . . . . 1.0 108.316 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 620' ' ' LEU . . . . . 0.637 ' HA ' ' HA ' ' A' ' 611' ' ' GLU . 0.2 OUTLIER -102.9 138.15 40.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 1.0 109.362 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 621' ' ' LEU . . . . . 0.517 ' CD2' ' HG3' ' A' ' 610' ' ' GLU . 3.8 tp -91.46 161.04 15.14 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.536 1.147 . . . . 1.0 109.279 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 622' ' ' LEU . . . . . 0.627 ' CD2' HG12 ' A' ' 606' ' ' ILE . 0.6 OUTLIER -161.8 83.42 0.59 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 1.0 109.34 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 623' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.18 138.52 31.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.523 1.139 . . . . 1.0 109.313 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 624' ' ' ILE . . . . . 0.685 ' HA ' ' HA ' ' A' ' 606' ' ' ILE . 62.8 mt -102.62 145.66 11.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 1.0 109.36 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 625' ' ' ARG . . . . . 0.522 ' CB ' ' HG2' ' A' ' 607' ' ' GLN . 0.1 OUTLIER -79.05 2.69 19.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.388 1.055 . . . . 1.0 110.327 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 626' ' ' GLY . . . . . . . . . . . . . . . -91.67 -23.02 29.47 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.454 1.096 . . . . 1.0 111.057 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 117.86 47.49 0.44 Allowed Glycine 0 CA--C 1.531 1.032 0 N-CA-C 111.008 -0.837 . . . . 1.0 111.008 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 628' ' ' LYS . . . . . . . . . . . . . 3.8 mtmt -144.47 168.99 18.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 0.765 . . . . 1.0 109.254 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -142.64 130.83 22.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.592 1.183 . . . . 1.0 110.333 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 630' ' ' PHE . . . . . 0.615 ' CD2' ' HD2' ' A' ' 567' ' ' LYS . 1.5 m-85 -126.36 150.24 48.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.437 1.086 . . . . 1.0 111.004 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 631' ' ' ILE . . . . . 0.453 ' HA ' ' O ' ' A' ' 620' ' ' LEU . 0.1 OUTLIER -129.75 117.78 42.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 1.0 109.408 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 632' ' ' LEU . . . . . 0.558 HD13 ' CG ' ' A' ' 622' ' ' LEU . 1.1 mp -92.47 160.28 15.14 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.495 1.122 . . . . 1.0 109.335 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 633' ' ' GLN . . . . . 0.655 ' O ' ' OG ' ' A' ' 566' ' ' SER . 11.2 tp60 -158.03 125.05 4.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.438 1.087 . . . . 1.0 110.339 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 634' ' ' CYS . . . . . 0.478 ' HB3' ' CD2' ' A' ' 640' ' ' LEU . 15.5 p -130.55 153.26 49.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 1.0 108.405 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 635' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -80.93 -12.83 59.33 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.149 . . . . 1.0 109.241 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 636' ' ' SER . . . . . 0.517 ' CB ' ' HG3' ' A' ' 639' ' ' GLU . 0.5 OUTLIER -91.8 165.79 13.09 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.555 1.159 . . . . 1.0 109.978 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 637' ' ' ASP . . . . . 0.535 ' N ' ' CD ' ' A' ' 638' ' ' PRO . 0.2 OUTLIER -94.92 -51.06 0.25 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.565 1.166 . . . . 1.0 109.276 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 638' ' ' PRO . . . . . 0.57 ' O ' ' C ' ' A' ' 639' ' ' GLU . 18.4 Cg_endo -74.97 -45.51 0.28 Allowed 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.538 1.81 . . . . 1.0 110.917 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 639' ' ' GLU . . . . . 0.57 ' C ' ' O ' ' A' ' 638' ' ' PRO . 4.6 mt-10 -23.81 -73.04 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.587 1.179 . . . . 1.0 110.311 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 640' ' ' LEU . . . . . 0.562 ' CD1' HD12 ' A' ' 620' ' ' LEU . 0.2 OUTLIER -57.03 -52.2 66.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 1.0 109.262 -179.92 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 641' ' ' VAL . . . . . 0.477 ' CG1' ' N ' ' A' ' 642' ' ' GLN . 0.5 OUTLIER -40.69 -53.76 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.562 1.164 . . . . 1.0 109.324 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 642' ' ' GLN . . . . . 0.477 ' N ' ' CG1' ' A' ' 641' ' ' VAL . 2.3 mp0 -69.9 -41.87 74.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 1.0 110.305 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 643' ' ' TRP . . . . . 0.693 ' CZ3' ' HB2' ' A' ' 583' ' ' LEU . 16.2 m95 -55.46 -41.12 72.48 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.492 1.12 . . . . 1.0 108.038 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 644' ' ' LYS . . . . . 0.605 ' HA ' ' HB2' ' A' ' 647' ' ' LEU . 0.0 OUTLIER -65.14 -57.56 8.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 1.0 109.367 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 8.4 tmtm? -42.03 -54.56 3.49 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.558 1.161 . . . . 1.0 109.337 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 646' ' ' GLU . . . . . 0.461 ' OE1' ' O ' ' A' ' 642' ' ' GLN . 1.5 mp0 -70.23 -26.33 63.81 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 1.0 110.3 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 647' ' ' LEU . . . . . 0.605 ' HB2' ' HA ' ' A' ' 644' ' ' LYS . 0.4 OUTLIER -72.96 -62.59 1.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 1.0 109.275 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 648' ' ' ARG . . . . . 0.524 ' O ' ' CG ' ' A' ' 652' ' ' ARG . 0.9 OUTLIER -40.0 -52.49 2.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.625 1.203 . . . . 1.0 110.337 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 649' ' ' ASP . . . . . 0.455 ' O ' ' N ' ' A' ' 653' ' ' GLU . 27.2 t70 -58.06 -47.44 83.16 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 1.0 109.3 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 650' ' ' ALA . . . . . 0.523 ' HB1' ' O ' ' A' ' 647' ' ' LEU . . . -48.98 -57.27 6.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.566 1.166 . . . . 1.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 651' ' ' TYR . . . . . 0.887 ' CD2' ' CG2' ' A' ' 606' ' ' ILE . 13.9 m-30 -67.16 -27.07 66.99 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.466 1.104 . . . . 1.0 110.975 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 652' ' ' ARG . . . . . 0.581 ' O ' ' N ' ' A' ' 655' ' ' GLN . 10.1 mmm180 -74.47 -67.96 0.58 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.423 1.077 . . . . 1.0 110.358 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 653' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 649' ' ' ASP . 13.3 mt-10 -44.29 -30.44 0.81 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 1.0 110.347 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 654' ' ' ALA . . . . . 0.468 ' HB1' ' O ' ' A' ' 650' ' ' ALA . . . -74.88 -34.49 62.23 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 1.0 109.37 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 655' ' ' GLN . . . . . 0.581 ' N ' ' O ' ' A' ' 652' ' ' ARG . 3.5 pt20 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 1.0 110.35 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 559' ' ' CYS . . . . . . . . . . . . . 5.4 t . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 108.271 -1.011 . . . . 1.0 108.271 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 560' ' ' ILE . . . . . 0.641 HD13 ' O ' ' A' ' 584' ' ' PHE . 40.9 mt -99.63 -66.05 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.477 1.11 . . . . 1.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 561' ' ' MET . . . . . 0.419 ' SD ' ' OE2' ' A' ' 646' ' ' GLU . 0.0 OUTLIER -138.13 131.51 30.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 1.0 110.956 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 562' ' ' HIS . . . . . . . . . . . . . 6.3 p80 -127.57 161.16 29.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 1.0 109.602 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 563' ' ' GLY . . . . . . . . . . . . . . . 153.75 -163.11 30.71 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.487 1.117 . . . . 1.0 111.047 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 564' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -94.31 125.65 39.08 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.5 0.765 . . . . 1.0 110.948 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 565' ' ' MET . . . . . 0.579 ' HA ' ' SG ' ' A' ' 634' ' ' CYS . 0.2 OUTLIER -139.57 145.74 38.99 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.485 1.116 . . . . 1.0 111.058 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 566' ' ' SER . . . . . 0.559 ' OG ' ' HG3' ' A' ' 633' ' ' GLN . 0.6 OUTLIER -113.87 145.68 41.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 1.0 110.064 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 567' ' ' LYS . . . . . 0.5 ' HA ' ' HA ' ' A' ' 632' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 1.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 578' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 110.275 -0.268 . . . . 1.0 110.275 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 579' ' ' ARG . . . . . 0.573 ' O ' ' O ' ' A' ' 565' ' ' MET . 44.5 mtp180 -130.45 165.65 22.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 1.0 110.329 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 580' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -88.29 127.61 35.47 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 1.0 110.991 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 581' ' ' PHE . . . . . 0.488 ' CE1' ' O ' ' A' ' 565' ' ' MET . 55.2 m-85 -124.54 169.91 11.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.154 . . . . 1.0 110.996 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 582' ' ' TYR . . . . . 0.561 ' CA ' ' HH2' ' A' ' 643' ' ' TRP . 32.4 m-85 -146.91 121.99 10.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 1.0 110.984 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 583' ' ' LEU . . . . . 0.819 ' HB2' ' CZ3' ' A' ' 643' ' ' TRP . 8.1 tp -90.5 112.71 24.47 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.501 1.126 . . . . 1.0 109.318 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 584' ' ' PHE . . . . . 0.641 ' O ' HD13 ' A' ' 560' ' ' ILE . 0.6 OUTLIER -104.55 170.51 5.97 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 1.0 111.025 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 585' ' ' PRO . . . . . 0.5 ' HA ' ' CD1' ' A' ' 560' ' ' ILE . 18.3 Cg_endo -75.0 7.34 2.91 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.474 1.776 . . . . 1.0 111.042 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 586' ' ' ASN . . . . . 0.725 ' HA ' ' CG ' ' A' ' 603' ' ' MET . 14.3 m120 -170.65 -44.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 1.0 109.292 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 587' ' ' ARG . . . . . 0.584 ' HA ' ' HA ' ' A' ' 602' ' ' THR . 3.5 mtp85 -88.53 -170.99 3.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.55 1.157 . . . . 1.0 110.374 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 588' ' ' LEU . . . . . 0.469 ' HA ' ' O ' ' A' ' 582' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 1.0 109.3 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.327 -0.62 . . . . 1.0 109.327 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 602' ' ' THR . . . . . 0.584 ' HA ' ' HA ' ' A' ' 587' ' ' ARG . 0.0 OUTLIER -120.58 -165.18 1.17 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 1.0 110.363 -179.945 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 603' ' ' MET . . . . . 0.725 ' CG ' ' HA ' ' A' ' 586' ' ' ASN . 0.8 OUTLIER -127.38 38.52 4.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 1.0 111.036 -179.941 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 604' ' ' GLU . . . . . 0.491 ' HA ' ' HB2' ' A' ' 654' ' ' ALA . 7.2 pt-20 -125.95 58.53 1.34 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.534 1.146 . . . . 1.0 110.331 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 605' ' ' GLU . . . . . 0.474 ' O ' ' C ' ' A' ' 606' ' ' ILE . 3.2 pt-20 -159.0 -57.7 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 1.0 110.309 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 606' ' ' ILE . . . . . 1.031 ' CG2' ' CD2' ' A' ' 651' ' ' TYR . 1.3 mp -34.94 140.44 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 1.0 109.35 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 607' ' ' GLN . . . . . 0.541 ' HG2' ' CB ' ' A' ' 625' ' ' ARG . 0.0 OUTLIER -91.87 -36.12 13.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 1.0 110.259 -179.929 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 608' ' ' SER . . . . . 0.402 ' HB2' ' HD3' ' A' ' 623' ' ' LYS . 2.2 m -174.0 132.53 0.42 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.576 1.172 . . . . 1.0 109.995 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 609' ' ' VAL . . . . . 0.596 ' CG2' ' CD ' ' A' ' 644' ' ' LYS . 1.7 p -106.03 128.98 59.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 1.0 109.343 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 610' ' ' GLU . . . . . 0.54 ' CD ' ' CD2' ' A' ' 621' ' ' LEU . 0.2 OUTLIER -146.87 -168.83 3.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 1.0 110.23 -179.917 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 611' ' ' GLU . . . . . 0.569 ' HA ' ' HA ' ' A' ' 620' ' ' LEU . 23.3 tt0 -140.45 146.91 38.86 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.57 1.169 . . . . 1.0 110.305 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 612' ' ' THR . . . . . 0.542 ' C ' ' HB3' ' A' ' 618' ' ' LYS . 0.1 OUTLIER -112.15 164.18 13.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 1.0 110.413 -179.932 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -129.52 162.21 28.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 1.0 110.29 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 614' ' ' ILE . . . . . 0.693 ' O ' ' CG2' ' A' ' 614' ' ' ILE . 0.1 OUTLIER -145.74 84.12 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 1.0 109.331 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 615' ' ' LYS . . . . . 0.406 ' CB ' ' O ' ' A' ' 614' ' ' ILE . 0.9 OUTLIER 82.33 -34.52 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 1.0 109.257 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 616' ' ' GLU . . . . . 0.414 ' H ' ' C ' ' A' ' 614' ' ' ILE . 0.8 OUTLIER -156.36 -47.07 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 1.0 110.39 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -155.99 136.69 13.37 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.389 1.055 . . . . 1.0 110.29 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 618' ' ' LYS . . . . . 0.542 ' HB3' ' C ' ' A' ' 612' ' ' THR . 0.4 OUTLIER -117.1 -98.27 0.45 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 1.0 109.35 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 619' ' ' CYS . . . . . 0.461 ' SG ' ' O ' ' A' ' 618' ' ' LYS . 57.2 m -156.35 -173.86 4.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 1.0 108.278 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 620' ' ' LEU . . . . . 0.569 ' HA ' ' HA ' ' A' ' 611' ' ' GLU . 0.2 OUTLIER -102.51 145.55 29.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 1.0 109.301 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 621' ' ' LEU . . . . . 0.54 ' CD2' ' CD ' ' A' ' 610' ' ' GLU . 1.7 tp -105.42 162.89 13.06 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.489 1.118 . . . . 1.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 622' ' ' LEU . . . . . 0.49 HD12 ' CD1' ' A' ' 632' ' ' LEU . 0.2 OUTLIER -163.58 78.48 0.42 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.543 1.152 . . . . 1.0 109.346 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 623' ' ' LYS . . . . . 0.402 ' HD3' ' HB2' ' A' ' 608' ' ' SER . 0.0 OUTLIER -78.25 140.17 38.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.56 1.162 . . . . 1.0 109.253 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 624' ' ' ILE . . . . . 0.83 ' HA ' ' HA ' ' A' ' 606' ' ' ILE . 82.4 mt -102.26 145.85 11.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.13 . . . . 1.0 109.315 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 625' ' ' ARG . . . . . 0.541 ' CB ' ' HG2' ' A' ' 607' ' ' GLN . 5.4 ptm180 -77.61 2.92 15.08 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.43 1.081 . . . . 1.0 110.292 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 626' ' ' GLY . . . . . . . . . . . . . . . -90.22 -18.55 49.39 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.58 1.175 . . . . 1.0 111.003 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 113.12 32.97 2.06 Favored Glycine 0 CA--C 1.53 0.972 0 N-CA-C 111.079 -0.808 . . . . 1.0 111.079 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 628' ' ' LYS . . . . . . . . . . . . . 3.8 mmtt -130.51 176.01 8.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 0.76 . . . . 1.0 109.341 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -146.32 151.25 37.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 1.0 110.332 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 630' ' ' PHE . . . . . 0.496 ' CE1' ' HD3' ' A' ' 567' ' ' LYS . 0.5 OUTLIER -140.22 147.91 40.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.573 1.171 . . . . 1.0 111.052 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 631' ' ' ILE . . . . . 0.489 ' CG2' ' O ' ' A' ' 631' ' ' ILE . 0.0 OUTLIER -136.22 106.15 5.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.519 1.137 . . . . 1.0 109.337 179.939 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 632' ' ' LEU . . . . . 0.578 ' N ' ' CD2' ' A' ' 632' ' ' LEU . 0.2 OUTLIER -116.66 161.8 18.64 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.531 1.144 . . . . 1.0 109.219 -179.905 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 633' ' ' GLN . . . . . 0.559 ' HG3' ' OG ' ' A' ' 566' ' ' SER . 1.7 pp0? -144.34 175.78 9.84 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.462 1.101 . . . . 1.0 110.334 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 634' ' ' CYS . . . . . 0.579 ' SG ' ' HA ' ' A' ' 565' ' ' MET . 0.8 OUTLIER -155.97 157.76 36.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 1.0 108.27 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 635' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -82.29 -22.18 35.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 1.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 636' ' ' SER . . . . . 0.46 ' CB ' ' HB2' ' A' ' 639' ' ' GLU . 0.5 OUTLIER -89.81 154.38 19.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 1.0 109.942 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 637' ' ' ASP . . . . . 0.59 ' N ' ' CD ' ' A' ' 638' ' ' PRO . 0.2 OUTLIER -84.64 -47.6 0.66 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.158 . . . . 1.0 109.301 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 638' ' ' PRO . . . . . 0.59 ' CD ' ' N ' ' A' ' 637' ' ' ASP . 18.1 Cg_endo -74.99 -51.75 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.544 1.813 . . . . 1.0 110.89 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 639' ' ' GLU . . . . . 0.558 ' C ' ' O ' ' A' ' 638' ' ' PRO . 13.0 mm-40 -24.23 -81.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.089 . . . . 1.0 110.273 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 640' ' ' LEU . . . . . 0.549 ' CD1' ' CD1' ' A' ' 620' ' ' LEU . 0.1 OUTLIER -51.0 -47.07 61.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.105 . . . . 1.0 109.276 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 641' ' ' VAL . . . . . 0.5 ' CG1' ' N ' ' A' ' 642' ' ' GLN . 0.7 OUTLIER -45.04 -56.64 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.551 1.157 . . . . 1.0 109.353 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 642' ' ' GLN . . . . . 0.5 ' N ' ' CG1' ' A' ' 641' ' ' VAL . 0.6 OUTLIER -64.94 -38.4 90.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 1.0 110.336 179.894 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 643' ' ' TRP . . . . . 0.819 ' CZ3' ' HB2' ' A' ' 583' ' ' LEU . 28.6 m95 -58.01 -40.06 79.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.133 . . . . 1.0 108.03 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 644' ' ' LYS . . . . . 0.596 ' CD ' ' CG2' ' A' ' 609' ' ' VAL . 0.0 OUTLIER -65.44 -58.95 4.6 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.48 1.112 . . . . 1.0 109.327 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 10.8 tmtt? -41.26 -50.57 3.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 1.0 109.227 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 646' ' ' GLU . . . . . 0.572 ' HG3' ' CG2' ' A' ' 560' ' ' ILE . 0.3 OUTLIER -71.31 -32.86 69.12 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.474 1.109 . . . . 1.0 110.33 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 647' ' ' LEU . . . . . 0.597 ' HG ' ' CD2' ' A' ' 583' ' ' LEU . 1.0 OUTLIER -67.76 -61.22 1.98 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 1.0 109.311 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 648' ' ' ARG . . . . . 0.455 ' N ' ' O ' ' A' ' 644' ' ' LYS . 0.1 OUTLIER -41.56 -54.98 3.03 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.515 1.134 . . . . 1.0 110.27 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 649' ' ' ASP . . . . . 0.446 ' HA ' ' HB2' ' A' ' 652' ' ' ARG . 29.0 t0 -60.6 -47.6 85.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 1.0 109.304 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 650' ' ' ALA . . . . . 0.556 ' CB ' ' SD ' ' A' ' 603' ' ' MET . . . -47.34 -55.02 9.61 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.566 1.166 . . . . 1.0 109.329 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 651' ' ' TYR . . . . . 1.031 ' CD2' ' CG2' ' A' ' 606' ' ' ILE . 22.2 m-30 -68.03 -28.53 67.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 1.0 110.965 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 652' ' ' ARG . . . . . 0.534 ' O ' ' N ' ' A' ' 655' ' ' GLN . 41.1 mtp180 -73.46 -68.77 0.47 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 1.0 110.244 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 653' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 649' ' ' ASP . 7.5 mt-10 -43.86 -29.81 0.6 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 1.0 110.308 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 654' ' ' ALA . . . . . 0.491 ' HB2' ' HA ' ' A' ' 604' ' ' GLU . . . -71.81 -38.25 70.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.434 1.083 . . . . 1.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 655' ' ' GLN . . . . . 0.534 ' N ' ' O ' ' A' ' 652' ' ' ARG . 3.9 pt20 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.406 1.066 . . . . 1.0 110.339 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 559' ' ' CYS . . . . . 0.418 ' SG ' ' O ' ' A' ' 583' ' ' LEU . 19.9 t . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 108.281 -1.007 . . . . 1.0 108.281 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 560' ' ' ILE . . . . . 0.556 HD13 ' O ' ' A' ' 584' ' ' PHE . 29.6 mt -85.18 -62.53 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.522 1.139 . . . . 1.0 109.326 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 561' ' ' MET . . . . . 0.465 ' SD ' ' OE2' ' A' ' 646' ' ' GLU . 0.0 OUTLIER -131.0 135.73 47.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.616 1.197 . . . . 1.0 111.044 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 562' ' ' HIS . . . . . . . . . . . . . 2.0 p80 -135.98 173.77 11.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 1.0 109.575 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 563' ' ' GLY . . . . . 0.464 ' O ' ' CD1' ' A' ' 580' ' ' TYR . . . 135.93 -172.91 22.11 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.526 1.142 . . . . 1.0 111.013 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 564' ' ' TYR . . . . . 0.455 ' CE1' ' HD3' ' A' ' 578' ' ' ARG . 0.6 OUTLIER -90.09 125.32 35.38 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.507 0.769 . . . . 1.0 110.95 -179.92 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 565' ' ' MET . . . . . 0.541 ' O ' ' O ' ' A' ' 579' ' ' ARG . 0.0 OUTLIER -131.49 -163.13 1.29 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 1.0 110.939 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 566' ' ' SER . . . . . 0.441 ' OG ' ' HB3' ' A' ' 633' ' ' GLN . 0.6 OUTLIER -160.68 140.19 10.79 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.511 1.132 . . . . 1.0 109.998 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 567' ' ' LYS . . . . . 0.614 ' HD2' ' CD1' ' A' ' 630' ' ' PHE . 2.2 tmpt? . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.574 1.172 . . . . 1.0 109.279 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 578' ' ' ARG . . . . . 0.455 ' HD3' ' CE1' ' A' ' 564' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.324 -0.251 . . . . 1.0 110.324 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 579' ' ' ARG . . . . . 0.541 ' O ' ' O ' ' A' ' 565' ' ' MET . 1.5 mtt-85 -135.63 158.61 43.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 1.0 110.266 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 580' ' ' TYR . . . . . 0.464 ' CD1' ' O ' ' A' ' 563' ' ' GLY . 0.3 OUTLIER -87.08 129.71 34.8 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.521 1.138 . . . . 1.0 111.068 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 581' ' ' PHE . . . . . 0.513 ' HB3' ' CH2' ' A' ' 643' ' ' TRP . 1.7 m-85 -114.57 169.78 8.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.423 1.077 . . . . 1.0 111.101 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 582' ' ' TYR . . . . . 0.419 ' O ' ' HA ' ' A' ' 588' ' ' LEU . 8.7 m-85 -149.99 110.82 4.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 1.0 110.986 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 583' ' ' LEU . . . . . 0.825 ' HB2' ' CZ3' ' A' ' 643' ' ' TRP . 8.8 tp -88.78 111.23 21.77 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.633 1.208 . . . . 1.0 109.229 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 584' ' ' PHE . . . . . 0.556 ' O ' HD13 ' A' ' 560' ' ' ILE . 0.4 OUTLIER -96.97 171.24 6.26 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 1.0 111.073 179.925 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 585' ' ' PRO . . . . . 0.505 ' HD2' ' CD2' ' A' ' 584' ' ' PHE . 18.0 Cg_endo -75.03 9.38 2.06 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.419 1.747 . . . . 1.0 111.04 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 586' ' ' ASN . . . . . 0.657 ' O ' ' CG ' ' A' ' 603' ' ' MET . 77.0 m-20 -169.14 -46.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 1.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 587' ' ' ARG . . . . . 0.639 ' HA ' ' HA ' ' A' ' 602' ' ' THR . 2.9 mtp180 -91.9 -171.07 2.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 1.0 110.323 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 588' ' ' LEU . . . . . 0.56 ' HG ' ' CD1' ' A' ' 601' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.53 0 O-C-N 124.539 1.15 . . . . 1.0 109.339 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 601' ' ' LEU . . . . . 0.56 ' CD1' ' HG ' ' A' ' 588' ' ' LEU . 4.2 pp . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.278 -0.638 . . . . 1.0 109.278 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 602' ' ' THR . . . . . 0.639 ' HA ' ' HA ' ' A' ' 587' ' ' ARG . 0.2 OUTLIER -126.73 -151.45 0.48 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.494 1.121 . . . . 1.0 110.37 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 603' ' ' MET . . . . . 0.657 ' CG ' ' O ' ' A' ' 586' ' ' ASN . 0.0 OUTLIER -133.16 28.72 4.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 1.0 110.991 -179.907 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -123.96 53.19 1.4 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.422 1.076 . . . . 1.0 110.343 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 605' ' ' GLU . . . . . 0.448 ' O ' ' C ' ' A' ' 606' ' ' ILE . 3.5 pt-20 -158.87 -54.18 0.06 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.659 1.225 . . . . 1.0 110.159 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 606' ' ' ILE . . . . . 0.929 ' CG2' ' CD2' ' A' ' 651' ' ' TYR . 1.2 mp -35.71 128.79 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.438 1.086 . . . . 1.0 109.241 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 607' ' ' GLN . . . . . 0.505 ' HG3' ' HA ' ' A' ' 625' ' ' ARG . 0.0 OUTLIER -84.39 -38.03 20.77 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 1.0 110.222 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 3.6 m -174.91 138.11 0.45 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 1.0 110.038 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 609' ' ' VAL . . . . . 0.57 ' CG1' ' HG3' ' A' ' 648' ' ' ARG . 5.2 p -103.96 136.71 35.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 1.0 109.246 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 610' ' ' GLU . . . . . 0.569 ' O ' ' N ' ' A' ' 621' ' ' LEU . 0.1 OUTLIER -158.86 157.46 31.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 1.0 110.266 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 611' ' ' GLU . . . . . 0.542 ' HA ' ' HA ' ' A' ' 620' ' ' LEU . 16.0 tt0 -111.34 144.73 40.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 1.0 110.296 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 612' ' ' THR . . . . . 0.523 ' C ' ' HB3' ' A' ' 618' ' ' LYS . 0.0 OUTLIER -104.74 163.86 12.19 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.481 1.113 . . . . 1.0 110.467 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 58.7 mt-30 -129.44 163.68 25.32 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.577 1.173 . . . . 1.0 110.32 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 614' ' ' ILE . . . . . 0.69 ' O ' ' CG2' ' A' ' 614' ' ' ILE . 0.2 OUTLIER -147.86 83.86 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.376 1.048 . . . . 1.0 109.291 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 615' ' ' LYS . . . . . 0.414 ' CB ' ' O ' ' A' ' 614' ' ' ILE . 7.2 mmtm 82.26 -32.34 0.09 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.427 1.079 . . . . 1.0 109.306 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 616' ' ' GLU . . . . . 0.431 ' H ' ' C ' ' A' ' 614' ' ' ILE . 2.3 tt0 -156.56 -49.64 0.07 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.124 . . . . 1.0 110.266 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 617' ' ' ARG . . . . . 0.526 ' NH1' ' OD1' ' A' ' 637' ' ' ASP . 7.0 ttt180 -157.08 139.62 14.91 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.449 1.093 . . . . 1.0 110.312 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 618' ' ' LYS . . . . . 0.563 ' HG2' ' CD1' ' A' ' 614' ' ' ILE . 12.7 tptt -118.48 -98.47 0.45 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 1.0 109.241 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 619' ' ' CYS . . . . . 0.47 ' O ' ' CG ' ' A' ' 611' ' ' GLU . 27.9 m -156.59 -177.2 6.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 1.0 108.236 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 620' ' ' LEU . . . . . 0.634 ' CD1' ' CD1' ' A' ' 640' ' ' LEU . 0.2 OUTLIER -96.38 148.43 22.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.441 1.088 . . . . 1.0 109.331 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 621' ' ' LEU . . . . . 0.569 ' N ' ' O ' ' A' ' 610' ' ' GLU . 0.1 OUTLIER -112.88 161.0 17.47 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 1.0 109.305 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 622' ' ' LEU . . . . . 0.57 ' CD2' ' HE2' ' A' ' 651' ' ' TYR . 9.1 mt -154.21 87.81 1.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 1.0 109.303 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 623' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.28 136.21 33.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 1.0 109.331 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 624' ' ' ILE . . . . . 0.703 ' HA ' ' HA ' ' A' ' 606' ' ' ILE . 58.9 mt -104.4 143.81 15.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 O-C-N 124.479 1.112 . . . . 1.0 109.285 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 625' ' ' ARG . . . . . 0.505 ' HA ' ' HG3' ' A' ' 607' ' ' GLN . 0.5 OUTLIER -77.34 2.71 15.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.598 1.186 . . . . 1.0 110.38 179.937 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 626' ' ' GLY . . . . . 0.411 ' H ' ' CG2' ' A' ' 624' ' ' ILE . . . -90.78 -24.04 28.9 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.498 1.124 . . . . 1.0 111.024 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 118.14 45.79 0.48 Allowed Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.02 -0.832 . . . . 1.0 111.02 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 628' ' ' LYS . . . . . . . . . . . . . 1.6 mtmm -147.45 168.6 21.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 0.766 . . . . 1.0 109.274 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 58.6 mt-30 -139.16 157.46 45.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 1.0 110.311 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 630' ' ' PHE . . . . . 0.614 ' CD1' ' HD2' ' A' ' 567' ' ' LYS . 0.8 OUTLIER -142.27 148.65 38.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.572 1.17 . . . . 1.0 110.976 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 631' ' ' ILE . . . . . 0.533 ' CG2' ' O ' ' A' ' 631' ' ' ILE . 0.2 OUTLIER -128.83 104.54 11.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.519 1.137 . . . . 1.0 109.296 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 632' ' ' LEU . . . . . 0.555 ' CD1' ' CD1' ' A' ' 622' ' ' LEU . 1.1 mp -90.52 154.98 19.22 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.105 . . . . 1.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 633' ' ' GLN . . . . . 0.447 ' HB2' ' SG ' ' A' ' 619' ' ' CYS . 1.0 OUTLIER -156.34 145.73 20.71 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.4 1.062 . . . . 1.0 110.269 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 634' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -153.98 152.44 30.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.396 1.06 . . . . 1.0 108.299 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 635' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -76.0 -16.69 59.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 1.0 109.263 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 636' ' ' SER . . . . . 0.474 ' CB ' ' HB2' ' A' ' 639' ' ' GLU . 0.4 OUTLIER -93.27 146.22 23.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 1.0 110.013 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 637' ' ' ASP . . . . . 0.684 ' N ' ' CD ' ' A' ' 638' ' ' PRO . 5.3 m-20 -81.42 -40.9 1.06 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 1.0 109.296 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 638' ' ' PRO . . . . . 0.684 ' CD ' ' N ' ' A' ' 637' ' ' ASP . 18.7 Cg_endo -74.86 -55.34 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.446 1.761 . . . . 1.0 111.064 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 639' ' ' GLU . . . . . 0.588 ' C ' ' O ' ' A' ' 638' ' ' PRO . 6.3 tp10 -22.2 -76.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 1.0 110.233 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 640' ' ' LEU . . . . . 0.634 ' CD1' ' CD1' ' A' ' 620' ' ' LEU . 0.1 OUTLIER -52.86 -52.48 57.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.553 1.158 . . . . 1.0 109.269 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 641' ' ' VAL . . . . . 0.494 ' N ' ' O ' ' A' ' 638' ' ' PRO . 0.6 OUTLIER -42.66 -55.6 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 1.0 109.25 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 642' ' ' GLN . . . . . 0.489 ' N ' ' CG1' ' A' ' 641' ' ' VAL . 0.0 OUTLIER -65.62 -38.58 89.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.438 1.086 . . . . 1.0 110.297 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 643' ' ' TRP . . . . . 0.825 ' CZ3' ' HB2' ' A' ' 583' ' ' LEU . 16.8 m95 -56.86 -46.61 81.69 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.569 1.168 . . . . 1.0 108.019 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 644' ' ' LYS . . . . . 0.594 ' HA ' ' HB2' ' A' ' 647' ' ' LEU . 1.8 ttpt -58.26 -56.65 19.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.594 1.184 . . . . 1.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 6.8 tmtm? -40.99 -51.22 3.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 1.0 109.297 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 646' ' ' GLU . . . . . 0.479 ' CB ' HD21 ' A' ' 583' ' ' LEU . 0.3 OUTLIER -72.82 -32.31 65.43 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.514 1.133 . . . . 1.0 110.226 -179.94 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 647' ' ' LEU . . . . . 0.594 ' HB2' ' HA ' ' A' ' 644' ' ' LYS . 0.5 OUTLIER -69.13 -62.73 1.26 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 1.0 109.286 -179.943 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 648' ' ' ARG . . . . . 0.57 ' HG3' ' CG1' ' A' ' 609' ' ' VAL . 1.4 ttt180 -41.49 -50.6 3.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.436 1.085 . . . . 1.0 110.265 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 649' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -61.98 -53.39 56.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 1.0 109.31 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 650' ' ' ALA . . . . . 0.538 ' O ' ' SD ' ' A' ' 603' ' ' MET . . . -41.57 -53.02 3.61 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.588 1.18 . . . . 1.0 109.391 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 651' ' ' TYR . . . . . 0.929 ' CD2' ' CG2' ' A' ' 606' ' ' ILE . 10.2 m-30 -69.85 -43.35 72.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 1.0 111.025 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 652' ' ' ARG . . . . . 0.501 ' O ' ' HB2' ' A' ' 655' ' ' GLN . 11.4 mmm180 -58.02 -64.82 0.78 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 1.0 110.282 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 653' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.91 -53.41 2.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.436 1.085 . . . . 1.0 110.281 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -47.34 -38.68 13.35 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.487 1.117 . . . . 1.0 109.333 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 655' ' ' GLN . . . . . 0.501 ' HB2' ' O ' ' A' ' 652' ' ' ARG . 64.5 mt-30 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 1.0 110.323 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 559' ' ' CYS . . . . . 0.45 ' SG ' ' O ' ' A' ' 583' ' ' LEU . 45.1 t . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 108.345 -0.983 . . . . 1.0 108.345 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 560' ' ' ILE . . . . . 0.582 HG21 ' HG2' ' A' ' 646' ' ' GLU . 34.1 mt -97.59 -57.52 4.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 1.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 561' ' ' MET . . . . . 0.556 ' CE ' ' OE1' ' A' ' 642' ' ' GLN . 0.0 OUTLIER -145.54 149.93 35.49 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.554 1.159 . . . . 1.0 111.015 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 562' ' ' HIS . . . . . . . . . . . . . 1.5 p80 -144.72 148.7 34.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 1.0 109.607 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 563' ' ' GLY . . . . . . . . . . . . . . . 170.06 -168.57 41.51 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.487 1.117 . . . . 1.0 110.995 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 564' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -97.1 125.53 41.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 0.745 . . . . 1.0 110.992 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 565' ' ' MET . . . . . 0.627 ' SD ' ' CD2' ' A' ' 640' ' ' LEU . 1.3 mtm -130.55 -176.64 4.04 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.442 1.089 . . . . 1.0 111.015 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 566' ' ' SER . . . . . 0.472 ' O ' ' N ' ' A' ' 633' ' ' GLN . 0.6 OUTLIER -154.9 101.83 2.3 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.532 1.145 . . . . 1.0 110.002 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 567' ' ' LYS . . . . . 0.567 ' HG2' ' O ' ' A' ' 631' ' ' ILE . 5.9 tmmm? . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.558 1.161 . . . . 1.0 109.244 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 578' ' ' ARG . . . . . 0.413 ' C ' ' HG2' ' A' ' 579' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.201 -0.296 . . . . 1.0 110.201 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 579' ' ' ARG . . . . . 0.5 ' O ' ' O ' ' A' ' 565' ' ' MET . 1.1 mmm180 -136.44 164.97 26.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 1.0 110.281 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 580' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -88.3 127.43 35.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.143 . . . . 1.0 110.963 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 581' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -113.44 165.31 12.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 1.0 111.039 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 582' ' ' TYR . . . . . 0.449 ' O ' ' HA ' ' A' ' 588' ' ' LEU . 0.6 OUTLIER -144.1 116.62 8.61 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.51 1.131 . . . . 1.0 111.018 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 583' ' ' LEU . . . . . 0.838 ' HB2' ' CZ3' ' A' ' 643' ' ' TRP . 6.8 tp -91.59 114.14 26.59 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.475 1.11 . . . . 1.0 109.268 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 584' ' ' PHE . . . . . 0.525 ' CD2' ' HD2' ' A' ' 585' ' ' PRO . 0.3 OUTLIER -106.49 168.21 8.47 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 1.0 111.077 179.936 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 585' ' ' PRO . . . . . 0.525 ' HD2' ' CD2' ' A' ' 584' ' ' PHE . 18.1 Cg_endo -75.02 22.78 0.41 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.553 1.818 . . . . 1.0 111.017 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 586' ' ' ASN . . . . . 0.687 ' HA ' ' CG ' ' A' ' 603' ' ' MET . 0.4 OUTLIER 174.55 -46.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 1.0 109.303 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 587' ' ' ARG . . . . . 0.563 ' HA ' ' HA ' ' A' ' 602' ' ' THR . 0.0 OUTLIER -90.82 -174.06 3.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 1.0 110.286 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 588' ' ' LEU . . . . . 0.481 ' N ' ' O ' ' A' ' 601' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 1.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 601' ' ' LEU . . . . . 0.481 ' O ' ' N ' ' A' ' 588' ' ' LEU . 6.8 tp . . . . . 0 N--CA 1.454 -0.239 0 N-CA-C 109.301 -0.629 . . . . 1.0 109.301 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 602' ' ' THR . . . . . 0.563 ' HA ' ' HA ' ' A' ' 587' ' ' ARG . 0.2 OUTLIER -95.18 -165.95 1.38 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.423 1.077 . . . . 1.0 110.339 -179.9 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 603' ' ' MET . . . . . 0.687 ' CG ' ' HA ' ' A' ' 586' ' ' ASN . 0.1 OUTLIER -128.23 33.95 4.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.408 1.068 . . . . 1.0 111.003 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 604' ' ' GLU . . . . . 0.481 ' HB3' ' HB3' ' A' ' 654' ' ' ALA . 8.8 pt-20 -124.65 58.1 1.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 1.0 110.328 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 605' ' ' GLU . . . . . 0.502 ' O ' ' C ' ' A' ' 606' ' ' ILE . 2.7 pt-20 -158.9 -51.75 0.06 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.62 1.2 . . . . 1.0 110.272 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 606' ' ' ILE . . . . . 1.033 ' CG2' ' CD2' ' A' ' 651' ' ' TYR . 0.9 OUTLIER -32.74 137.4 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.527 1.142 . . . . 1.0 109.257 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 607' ' ' GLN . . . . . 0.581 ' HG3' ' HA ' ' A' ' 625' ' ' ARG . 0.0 OUTLIER -92.28 -37.38 12.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 1.0 110.363 179.937 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 608' ' ' SER . . . . . 0.404 ' HB2' ' HD3' ' A' ' 623' ' ' LYS . 1.1 m -173.97 133.06 0.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 1.0 109.956 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 609' ' ' VAL . . . . . 0.564 ' CG2' ' CD ' ' A' ' 644' ' ' LYS . 3.2 p -104.65 141.01 21.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 1.0 109.329 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 610' ' ' GLU . . . . . 0.532 ' CD ' ' CD2' ' A' ' 621' ' ' LEU . 0.5 OUTLIER -159.9 -170.83 3.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 1.0 110.246 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 611' ' ' GLU . . . . . 0.605 ' HA ' ' HA ' ' A' ' 620' ' ' LEU . 24.2 tt0 -141.19 145.04 35.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 1.0 110.323 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 612' ' ' THR . . . . . 0.576 ' C ' ' HB3' ' A' ' 618' ' ' LYS . 0.0 OUTLIER -108.77 167.23 10.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 1.0 110.452 179.932 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 13.1 mp0 -132.06 158.57 41.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 1.0 110.285 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 614' ' ' ILE . . . . . 0.676 ' O ' ' CG2' ' A' ' 614' ' ' ILE . 0.2 OUTLIER -142.96 84.56 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 1.0 109.355 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 615' ' ' LYS . . . . . 0.421 ' HB2' ' O ' ' A' ' 614' ' ' ILE . 4.6 mmtm 82.39 -34.59 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 1.0 109.326 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 616' ' ' GLU . . . . . 0.426 ' H ' ' C ' ' A' ' 614' ' ' ILE . 3.2 tt0 -156.33 -47.47 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 1.0 110.336 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 4.7 ttm180 -154.7 138.09 15.85 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 1.0 110.244 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 618' ' ' LYS . . . . . 0.58 ' CG ' HD11 ' A' ' 614' ' ' ILE . 6.9 tptt -118.15 -97.97 0.46 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 1.0 109.225 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 619' ' ' CYS . . . . . 0.494 ' O ' ' CG ' ' A' ' 611' ' ' GLU . 25.7 m -157.75 -175.88 5.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 1.0 108.344 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 620' ' ' LEU . . . . . 0.605 ' HA ' ' HA ' ' A' ' 611' ' ' GLU . 0.2 OUTLIER -100.05 137.1 38.96 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.575 1.172 . . . . 1.0 109.315 179.942 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 621' ' ' LEU . . . . . 0.532 ' CD2' ' CD ' ' A' ' 610' ' ' GLU . 3.0 tp -92.44 159.61 15.46 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.566 1.166 . . . . 1.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 622' ' ' LEU . . . . . 0.628 ' CD2' HG12 ' A' ' 606' ' ' ILE . 1.0 OUTLIER -157.53 87.87 0.97 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.527 1.142 . . . . 1.0 109.331 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 623' ' ' LYS . . . . . 0.404 ' HD3' ' HB2' ' A' ' 608' ' ' SER . 0.0 OUTLIER -91.79 137.64 32.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.446 1.091 . . . . 1.0 109.229 -179.904 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 624' ' ' ILE . . . . . 0.691 ' HA ' ' HA ' ' A' ' 606' ' ' ILE . 64.7 mt -106.32 143.79 16.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 1.0 109.413 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 625' ' ' ARG . . . . . 0.581 ' HA ' ' HG3' ' A' ' 607' ' ' GLN . 2.9 ptm180 -79.21 3.32 18.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.568 1.168 . . . . 1.0 110.243 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 626' ' ' GLY . . . . . 0.411 ' H ' ' CG2' ' A' ' 624' ' ' ILE . . . -89.78 -22.38 36.57 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.525 1.141 . . . . 1.0 111.063 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 116.99 43.75 0.6 Allowed Glycine 0 CA--C 1.53 0.974 0 N-CA-C 110.941 -0.864 . . . . 1.0 110.941 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 628' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -145.3 168.46 20.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 0.779 . . . . 1.0 109.191 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 8.5 mp0 -146.38 141.0 26.77 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.574 1.171 . . . . 1.0 110.321 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 630' ' ' PHE . . . . . 0.523 ' CD1' ' HD3' ' A' ' 567' ' ' LYS . 1.7 m-85 -134.54 162.81 31.24 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.474 1.109 . . . . 1.0 110.942 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 631' ' ' ILE . . . . . 0.567 ' O ' ' HG2' ' A' ' 567' ' ' LYS . 0.2 OUTLIER -138.67 113.05 7.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.099 . . . . 1.0 109.282 -179.94 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 632' ' ' LEU . . . . . 0.582 HD13 ' CD1' ' A' ' 622' ' ' LEU . 1.5 mp -86.04 157.54 20.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 1.0 109.344 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 633' ' ' GLN . . . . . 0.472 ' N ' ' O ' ' A' ' 566' ' ' SER . 7.2 tp60 -155.82 140.4 16.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 1.0 110.308 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 634' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -153.43 159.99 42.49 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.595 1.184 . . . . 1.0 108.361 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 635' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -83.61 -17.94 39.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.54 1.15 . . . . 1.0 109.314 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 636' ' ' SER . . . . . 0.599 ' HB2' ' CG ' ' A' ' 639' ' ' GLU . 7.4 m -91.24 150.93 21.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.42 1.075 . . . . 1.0 109.928 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 637' ' ' ASP . . . . . 0.677 ' N ' ' CD ' ' A' ' 638' ' ' PRO . 0.2 OUTLIER -87.19 -41.87 0.53 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.401 1.063 . . . . 1.0 109.317 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 638' ' ' PRO . . . . . 0.677 ' CD ' ' N ' ' A' ' 637' ' ' ASP . 18.0 Cg_endo -75.03 -58.94 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.222 0 O-C-N 124.537 1.809 . . . . 1.0 110.936 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 639' ' ' GLU . . . . . 0.606 ' C ' ' O ' ' A' ' 638' ' ' PRO . 10.3 mm-40 -20.92 -78.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.089 . . . . 1.0 110.291 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 640' ' ' LEU . . . . . 0.627 ' CD2' ' SD ' ' A' ' 565' ' ' MET . 0.1 OUTLIER -51.04 -54.04 28.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.556 1.16 . . . . 1.0 109.236 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 641' ' ' VAL . . . . . 0.492 ' N ' ' O ' ' A' ' 638' ' ' PRO . 0.9 OUTLIER -41.48 -57.75 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 1.0 109.298 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 642' ' ' GLN . . . . . 0.556 ' OE1' ' CE ' ' A' ' 561' ' ' MET . 21.9 mt-30 -61.02 -40.5 93.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 1.0 110.347 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 643' ' ' TRP . . . . . 0.838 ' CZ3' ' HB2' ' A' ' 583' ' ' LEU . 12.7 m95 -52.84 -49.89 64.83 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.024 -1.102 . . . . 1.0 108.024 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 644' ' ' LYS . . . . . 0.564 ' CD ' ' CG2' ' A' ' 609' ' ' VAL . 0.5 OUTLIER -53.12 -57.48 10.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 1.0 109.349 179.953 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 9.9 tmtt? -40.1 -54.97 2.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.158 . . . . 1.0 109.173 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 646' ' ' GLU . . . . . 0.582 ' HG2' HG21 ' A' ' 560' ' ' ILE . 0.6 OUTLIER -69.76 -30.26 67.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 1.0 110.283 -179.918 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 647' ' ' LEU . . . . . 0.591 HD21 ' CZ ' ' A' ' 651' ' ' TYR . 2.4 mt -71.14 -62.76 1.28 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.485 1.116 . . . . 1.0 109.239 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 648' ' ' ARG . . . . . 0.553 ' N ' ' O ' ' A' ' 644' ' ' LYS . 2.0 ttp180 -37.73 -54.4 1.22 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.523 1.14 . . . . 1.0 110.287 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 649' ' ' ASP . . . . . 0.409 ' O ' ' N ' ' A' ' 653' ' ' GLU . 0.4 OUTLIER -61.57 -43.11 99.47 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.523 1.139 . . . . 1.0 109.368 179.937 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 650' ' ' ALA . . . . . 0.54 ' HB3' ' SD ' ' A' ' 603' ' ' MET . . . -51.23 -47.91 62.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 1.0 109.266 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 651' ' ' TYR . . . . . 1.033 ' CD2' ' CG2' ' A' ' 606' ' ' ILE . 13.9 m-30 -75.41 -39.42 59.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.424 1.078 . . . . 1.0 110.949 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 652' ' ' ARG . . . . . 0.497 ' O ' ' HB2' ' A' ' 655' ' ' GLN . 36.5 mtp85 -63.22 -63.02 1.31 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.449 1.093 . . . . 1.0 110.289 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 653' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 649' ' ' ASP . 0.8 OUTLIER -45.48 -53.33 9.01 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.401 1.063 . . . . 1.0 110.317 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 654' ' ' ALA . . . . . 0.481 ' HB3' ' HB3' ' A' ' 604' ' ' GLU . . . -48.6 -36.39 15.62 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.546 1.153 . . . . 1.0 109.318 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 655' ' ' GLN . . . . . 0.497 ' HB2' ' O ' ' A' ' 652' ' ' ARG . 62.7 mt-30 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 1.0 110.31 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 559' ' ' CYS . . . . . 0.505 ' SG ' ' CD1' ' A' ' 584' ' ' PHE . 3.2 t . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 108.309 -0.997 . . . . 1.0 108.309 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 560' ' ' ILE . . . . . 0.691 ' HB ' ' CD2' ' A' ' 583' ' ' LEU . 3.9 mt -90.41 -57.0 4.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 1.0 109.253 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 561' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.13 146.1 30.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 1.0 111.047 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 562' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -148.7 152.16 36.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 1.0 109.589 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 563' ' ' GLY . . . . . . . . . . . . . . . 157.08 -158.9 29.23 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.485 1.116 . . . . 1.0 110.996 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 564' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -88.15 126.92 35.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 0.752 . . . . 1.0 110.992 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 565' ' ' MET . . . . . 0.643 ' O ' ' O ' ' A' ' 579' ' ' ARG . 0.0 OUTLIER -144.47 134.29 23.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 1.0 111.004 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 566' ' ' SER . . . . . 0.517 ' O ' ' N ' ' A' ' 633' ' ' GLN . 0.2 OUTLIER -101.97 114.04 27.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.115 . . . . 1.0 110.044 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 567' ' ' LYS . . . . . 0.576 ' HE2' ' CD1' ' A' ' 630' ' ' PHE . 7.7 tttt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 1.0 109.27 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 578' ' ' ARG . . . . . 0.431 ' HA ' ' HB2' ' A' ' 566' ' ' SER . 1.4 mpt_? . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.256 -0.275 . . . . 1.0 110.256 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 579' ' ' ARG . . . . . 0.643 ' O ' ' O ' ' A' ' 565' ' ' MET . 48.4 mtp180 -142.77 162.71 34.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 1.0 110.305 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 580' ' ' TYR . . . . . 0.418 ' CD1' ' HE1' ' A' ' 582' ' ' TYR . 0.2 OUTLIER -88.73 119.71 29.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.452 1.095 . . . . 1.0 111.027 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 581' ' ' PHE . . . . . 0.439 ' CD2' HD13 ' A' ' 588' ' ' LEU . 4.7 m-85 -119.12 155.79 30.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 1.0 111.054 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 582' ' ' TYR . . . . . 0.427 ' O ' ' HA ' ' A' ' 588' ' ' LEU . 7.2 m-85 -136.05 117.89 15.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 1.0 111.037 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 583' ' ' LEU . . . . . 0.691 ' CD2' ' HB ' ' A' ' 560' ' ' ILE . 6.5 tt -89.05 119.68 29.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 1.0 109.271 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 584' ' ' PHE . . . . . 0.632 ' CD2' ' HD2' ' A' ' 585' ' ' PRO . 0.2 OUTLIER -110.6 -176.74 0.41 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.402 1.064 . . . . 1.0 110.989 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 585' ' ' PRO . . . . . 0.632 ' HD2' ' CD2' ' A' ' 584' ' ' PHE . 18.2 Cg_endo -75.07 7.99 2.64 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.542 1.811 . . . . 1.0 110.98 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 586' ' ' ASN . . . . . 0.686 ' HA ' ' CG ' ' A' ' 603' ' ' MET . 7.3 p-10 173.73 -33.07 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.145 . . . . 1.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 587' ' ' ARG . . . . . 0.694 ' O ' ' CE ' ' A' ' 603' ' ' MET . 14.9 mtp180 -89.71 173.79 8.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 1.0 110.311 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 588' ' ' LEU . . . . . 0.507 ' O ' ' N ' ' A' ' 601' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.43 1.082 . . . . 1.0 109.304 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 601' ' ' LEU . . . . . 0.507 ' N ' ' O ' ' A' ' 588' ' ' LEU . 2.3 mm? . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.3 -0.629 . . . . 1.0 109.3 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 602' ' ' THR . . . . . 0.537 HG21 ' HA ' ' A' ' 587' ' ' ARG . 0.0 OUTLIER -127.55 -177.22 4.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 1.0 110.377 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 603' ' ' MET . . . . . 0.694 ' CE ' ' O ' ' A' ' 587' ' ' ARG . 0.0 OUTLIER -127.0 44.47 2.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 1.0 110.932 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 604' ' ' GLU . . . . . 0.422 ' HA ' ' HB2' ' A' ' 654' ' ' ALA . 17.2 pt-20 -127.14 44.65 2.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 1.0 110.227 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 605' ' ' GLU . . . . . 0.567 ' O ' ' C ' ' A' ' 606' ' ' ILE . 2.8 pt-20 -157.67 -51.16 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 1.0 110.359 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 606' ' ' ILE . . . . . 0.94 ' CG2' ' CD2' ' A' ' 651' ' ' TYR . 0.9 OUTLIER -25.88 133.22 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.524 1.14 . . . . 1.0 109.285 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 607' ' ' GLN . . . . . 0.549 ' HG2' ' CB ' ' A' ' 625' ' ' ARG . 0.1 OUTLIER -85.81 -38.37 18.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 1.0 110.355 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 608' ' ' SER . . . . . 0.437 ' HB2' ' HD3' ' A' ' 623' ' ' LYS . 5.2 m -175.06 133.93 0.33 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 1.0 110.044 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 609' ' ' VAL . . . . . 0.574 ' CG2' ' CD ' ' A' ' 644' ' ' LYS . 3.0 p -107.64 139.35 29.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.564 1.165 . . . . 1.0 109.279 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 610' ' ' GLU . . . . . 0.512 ' HG3' ' CD2' ' A' ' 621' ' ' LEU . 1.0 OUTLIER -159.09 -167.74 2.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 1.0 110.278 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 611' ' ' GLU . . . . . 0.635 ' HA ' ' HA ' ' A' ' 620' ' ' LEU . 24.8 tt0 -138.27 147.3 43.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 1.0 110.347 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 612' ' ' THR . . . . . 0.5 ' O ' ' HB3' ' A' ' 618' ' ' LYS . 0.0 OUTLIER -109.87 161.39 15.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.436 1.085 . . . . 1.0 110.461 179.937 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 63.2 mt-30 -125.63 163.31 23.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 1.0 110.264 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 614' ' ' ILE . . . . . 0.71 ' O ' ' CG2' ' A' ' 614' ' ' ILE . 0.1 OUTLIER -149.14 82.38 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.125 . . . . 1.0 109.303 179.912 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 615' ' ' LYS . . . . . 0.431 ' HB2' ' O ' ' A' ' 614' ' ' ILE . 9.0 mmtt 82.12 -31.49 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 1.0 109.275 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 616' ' ' GLU . . . . . 0.43 ' H ' ' C ' ' A' ' 614' ' ' ILE . 0.9 OUTLIER -157.13 -49.77 0.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.439 1.087 . . . . 1.0 110.374 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 7.1 ttt85 -157.96 141.58 15.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 1.0 110.328 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 618' ' ' LYS . . . . . 0.515 ' HG2' ' CD1' ' A' ' 614' ' ' ILE . 8.8 tptt -120.81 -97.68 0.46 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.431 1.082 . . . . 1.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 619' ' ' CYS . . . . . 0.468 ' O ' ' CG ' ' A' ' 611' ' ' GLU . 2.2 m -157.41 -177.24 6.45 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.448 1.093 . . . . 1.0 108.306 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 620' ' ' LEU . . . . . 0.635 ' HA ' ' HA ' ' A' ' 611' ' ' GLU . 0.1 OUTLIER -96.94 140.44 31.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.577 1.173 . . . . 1.0 109.222 -179.942 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 621' ' ' LEU . . . . . 0.512 ' CD2' ' HG3' ' A' ' 610' ' ' GLU . 0.7 OUTLIER -97.85 161.17 13.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 1.0 109.282 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 622' ' ' LEU . . . . . 0.685 ' CD2' HG12 ' A' ' 606' ' ' ILE . 0.7 OUTLIER -157.3 91.39 1.17 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.479 1.112 . . . . 1.0 109.315 -179.94 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 623' ' ' LYS . . . . . 0.437 ' HD3' ' HB2' ' A' ' 608' ' ' SER . 0.0 OUTLIER -95.07 136.34 35.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 1.0 109.195 -179.915 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 624' ' ' ILE . . . . . 0.809 ' HA ' ' HA ' ' A' ' 606' ' ' ILE . 58.6 mt -102.19 143.62 14.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 124.538 1.149 . . . . 1.0 109.356 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 625' ' ' ARG . . . . . 0.549 ' CB ' ' HG2' ' A' ' 607' ' ' GLN . 5.3 ptm180 -79.26 3.2 18.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.436 1.085 . . . . 1.0 110.253 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 626' ' ' GLY . . . . . 0.411 ' H ' ' CG2' ' A' ' 624' ' ' ILE . . . -88.52 -24.91 32.0 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.47 1.106 . . . . 1.0 111.007 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 119.57 42.64 0.53 Allowed Glycine 0 CA--C 1.53 0.978 0 N-CA-C 111.063 -0.815 . . . . 1.0 111.063 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 628' ' ' LYS . . . . . . . . . . . . . 4.6 mtmm -143.0 170.92 14.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.392 0.701 . . . . 1.0 109.335 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -144.06 136.99 27.27 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.515 1.134 . . . . 1.0 110.314 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 630' ' ' PHE . . . . . 0.576 ' CD1' ' HE2' ' A' ' 567' ' ' LYS . 1.5 m-85 -130.72 155.18 47.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.454 1.096 . . . . 1.0 110.998 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 631' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -130.26 123.16 55.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 1.0 109.393 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 632' ' ' LEU . . . . . 0.555 HD13 ' CG ' ' A' ' 622' ' ' LEU . 0.7 OUTLIER -97.19 156.21 16.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 1.0 109.32 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 633' ' ' GLN . . . . . 0.517 ' N ' ' O ' ' A' ' 566' ' ' SER . 1.0 OUTLIER -157.62 125.1 5.21 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.585 1.178 . . . . 1.0 110.292 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 634' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -139.84 154.24 47.27 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 1.0 108.373 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 635' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -79.56 -21.02 45.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.101 . . . . 1.0 109.357 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 636' ' ' SER . . . . . 0.468 ' CB ' ' HB2' ' A' ' 639' ' ' GLU . 0.4 OUTLIER -86.37 148.7 25.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 1.0 109.95 -179.903 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 637' ' ' ASP . . . . . 0.642 ' N ' ' CD ' ' A' ' 638' ' ' PRO . 0.3 OUTLIER -84.6 -44.23 0.71 Allowed Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.559 1.162 . . . . 1.0 109.259 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 638' ' ' PRO . . . . . 0.642 ' CD ' ' N ' ' A' ' 637' ' ' ASP . 18.2 Cg_endo -75.04 -52.88 0.1 Allowed 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.561 1.822 . . . . 1.0 110.935 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 639' ' ' GLU . . . . . 0.557 ' C ' ' O ' ' A' ' 638' ' ' PRO . 11.9 mm-40 -24.89 -81.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.397 1.06 . . . . 1.0 110.277 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 640' ' ' LEU . . . . . 0.528 HD13 ' CD2' ' A' ' 620' ' ' LEU . 0.1 OUTLIER -48.91 -46.78 43.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 1.0 109.285 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 641' ' ' VAL . . . . . 0.506 ' CG1' ' N ' ' A' ' 642' ' ' GLN . 0.7 OUTLIER -45.01 -56.93 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 1.0 109.287 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 642' ' ' GLN . . . . . 0.506 ' N ' ' CG1' ' A' ' 641' ' ' VAL . 0.2 OUTLIER -64.05 -42.49 97.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.544 1.153 . . . . 1.0 110.325 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 643' ' ' TRP . . . . . 0.684 ' CZ3' ' HB2' ' A' ' 583' ' ' LEU . 33.9 m95 -52.85 -40.77 63.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 1.0 108.013 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 644' ' ' LYS . . . . . 0.574 ' CD ' ' CG2' ' A' ' 609' ' ' VAL . 0.0 OUTLIER -64.32 -61.48 2.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.56 1.163 . . . . 1.0 109.346 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 645' ' ' LYS . . . . . 0.459 ' CD ' ' OE1' ' A' ' 646' ' ' GLU . 2.6 tmtm? -39.47 -54.11 1.97 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.411 1.07 . . . . 1.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 646' ' ' GLU . . . . . 0.606 ' HB3' HD23 ' A' ' 583' ' ' LEU . 0.2 OUTLIER -69.29 -32.16 71.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 1.0 110.347 179.937 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 647' ' ' LEU . . . . . 0.603 ' HG ' ' CD1' ' A' ' 583' ' ' LEU . 12.0 mt -68.03 -59.97 2.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 1.0 109.328 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 648' ' ' ARG . . . . . 0.497 ' N ' ' O ' ' A' ' 644' ' ' LYS . 1.7 ttm105 -40.72 -52.54 2.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 1.0 110.275 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 649' ' ' ASP . . . . . 0.431 ' O ' ' N ' ' A' ' 653' ' ' GLU . 0.4 OUTLIER -63.98 -43.54 95.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.577 1.173 . . . . 1.0 109.248 -179.94 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 650' ' ' ALA . . . . . 0.607 ' HB2' ' CG ' ' A' ' 603' ' ' MET . . . -50.76 -45.11 58.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 1.0 109.354 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 651' ' ' TYR . . . . . 0.94 ' CD2' ' CG2' ' A' ' 606' ' ' ILE . 18.8 m-30 -78.03 -39.9 40.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 1.0 111.021 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 652' ' ' ARG . . . . . 0.485 ' O ' ' HB2' ' A' ' 655' ' ' GLN . 48.8 mtp85 -64.1 -62.47 1.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 1.0 110.327 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 653' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 649' ' ' ASP . 0.0 OUTLIER -49.91 -55.78 13.11 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.473 1.108 . . . . 1.0 110.334 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 654' ' ' ALA . . . . . 0.453 ' HB1' ' O ' ' A' ' 603' ' ' MET . . . -45.87 -34.86 4.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 1.0 109.293 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 655' ' ' GLN . . . . . 0.485 ' HB2' ' O ' ' A' ' 652' ' ' ARG . 64.5 mt-30 . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 1.0 110.256 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 559' ' ' CYS . . . . . 0.576 ' SG ' ' CD2' ' A' ' 562' ' ' HIS . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.366 0 N-CA-C 108.266 -1.013 . . . . 1.0 108.266 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 560' ' ' ILE . . . . . 0.66 HD13 ' C ' ' A' ' 584' ' ' PHE . 26.5 mt -76.38 -56.95 6.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.552 1.157 . . . . 1.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 561' ' ' MET . . . . . 0.434 ' CE ' ' OE1' ' A' ' 642' ' ' GLN . 0.0 OUTLIER -147.64 157.83 43.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.151 . . . . 1.0 111.0 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 562' ' ' HIS . . . . . 0.576 ' CD2' ' SG ' ' A' ' 559' ' ' CYS . 0.1 OUTLIER -158.89 154.3 25.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 1.0 109.574 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 563' ' ' GLY . . . . . . . . . . . . . . . 169.77 -162.87 36.35 Favored Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.414 1.071 . . . . 1.0 111.051 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 564' ' ' TYR . . . . . 0.459 ' HE1' ' CA ' ' A' ' 579' ' ' ARG . 0.4 OUTLIER -108.42 120.2 41.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 0.777 . . . . 1.0 111.007 179.909 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 565' ' ' MET . . . . . 0.629 ' SD ' ' CE2' ' A' ' 643' ' ' TRP . 1.6 ptm -152.6 154.55 35.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 1.0 111.055 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 566' ' ' SER . . . . . 0.689 ' HG ' ' NE2' ' A' ' 633' ' ' GLN . 0.1 OUTLIER -116.92 172.23 7.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 1.0 109.986 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 567' ' ' LYS . . . . . 0.527 ' CB ' ' HA ' ' A' ' 632' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 1.0 109.276 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 578' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.236 0 N-CA-C 110.306 -0.257 . . . . 1.0 110.306 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 579' ' ' ARG . . . . . 0.522 ' O ' ' O ' ' A' ' 565' ' ' MET . 0.4 OUTLIER -125.97 163.96 21.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.577 1.173 . . . . 1.0 110.272 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 580' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -89.22 128.15 35.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 1.0 111.001 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 581' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -118.77 159.91 22.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.44 1.087 . . . . 1.0 110.98 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 582' ' ' TYR . . . . . 0.523 ' O ' ' HA ' ' A' ' 588' ' ' LEU . 52.9 m-85 -138.79 121.25 16.11 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.43 1.081 . . . . 1.0 110.967 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 583' ' ' LEU . . . . . 0.7 ' HB2' ' CZ3' ' A' ' 643' ' ' TRP . 6.8 tp -92.41 115.13 27.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 1.0 109.348 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 584' ' ' PHE . . . . . 0.66 ' C ' HD13 ' A' ' 560' ' ' ILE . 5.9 m-85 -106.13 174.25 2.71 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 1.0 111.015 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 585' ' ' PRO . . . . . 0.523 ' HA ' HD13 ' A' ' 560' ' ' ILE . 18.6 Cg_endo -74.97 0.42 8.91 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.498 1.789 . . . . 1.0 111.02 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 586' ' ' ASN . . . . . 0.627 ' HA ' ' CG ' ' A' ' 603' ' ' MET . 5.7 m120 -165.12 -41.56 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.428 1.08 . . . . 1.0 109.314 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 587' ' ' ARG . . . . . 0.552 ' C ' ' HB2' ' A' ' 584' ' ' PHE . 2.9 mtp180 -88.51 -168.78 2.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 1.0 110.335 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 588' ' ' LEU . . . . . 0.523 ' HA ' ' O ' ' A' ' 582' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 1.0 109.379 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 601' ' ' LEU . . . . . 0.484 ' CD2' ' OE2' ' A' ' 605' ' ' GLU . 3.3 tp . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.31 -0.626 . . . . 1.0 109.31 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 602' ' ' THR . . . . . 0.541 ' HA ' ' HA ' ' A' ' 587' ' ' ARG . 0.0 OUTLIER -109.92 -163.46 0.86 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 1.0 110.365 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 603' ' ' MET . . . . . 0.627 ' CG ' ' HA ' ' A' ' 586' ' ' ASN . 0.0 OUTLIER -129.4 36.38 4.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 1.0 111.055 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 604' ' ' GLU . . . . . 0.4 ' HA ' ' HB2' ' A' ' 654' ' ' ALA . 5.5 pt-20 -124.91 56.91 1.3 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.509 1.13 . . . . 1.0 110.289 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 605' ' ' GLU . . . . . 0.495 ' O ' ' C ' ' A' ' 606' ' ' ILE . 3.4 pt-20 -159.27 -53.71 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 1.0 110.34 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 606' ' ' ILE . . . . . 0.951 ' CG2' ' CD2' ' A' ' 651' ' ' TYR . 0.9 OUTLIER -33.05 136.43 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 1.0 109.296 179.925 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 607' ' ' GLN . . . . . 0.551 ' HG2' ' CB ' ' A' ' 625' ' ' ARG . 0.0 OUTLIER -87.7 -41.45 13.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 1.0 110.312 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 608' ' ' SER . . . . . 0.5 ' OG ' ' O ' ' A' ' 607' ' ' GLN . 6.8 m -171.68 135.72 0.9 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 1.0 110.02 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 609' ' ' VAL . . . . . 0.5 ' CG2' ' CD ' ' A' ' 644' ' ' LYS . 2.7 p -107.64 139.32 29.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 O-C-N 124.528 1.142 . . . . 1.0 109.306 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 610' ' ' GLU . . . . . 0.47 ' HG3' ' CD2' ' A' ' 621' ' ' LEU . 0.2 OUTLIER -158.96 -166.69 1.91 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.371 1.045 . . . . 1.0 110.303 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 611' ' ' GLU . . . . . 0.574 ' HA ' ' HA ' ' A' ' 620' ' ' LEU . 24.9 tt0 -140.44 148.36 41.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 1.0 110.306 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 612' ' ' THR . . . . . 0.571 ' C ' ' HB3' ' A' ' 618' ' ' LYS . 0.0 OUTLIER -114.01 164.26 14.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 1.0 110.368 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 7.4 mp0 -128.97 161.67 29.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 1.0 110.248 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 614' ' ' ILE . . . . . 0.699 ' O ' ' CG2' ' A' ' 614' ' ' ILE . 0.2 OUTLIER -146.63 84.0 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.56 1.163 . . . . 1.0 109.335 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 615' ' ' LYS . . . . . 0.426 ' HB3' ' O ' ' A' ' 614' ' ' ILE . 20.2 ttpt 82.22 -33.89 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 1.0 109.376 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 616' ' ' GLU . . . . . 0.431 ' H ' ' C ' ' A' ' 614' ' ' ILE . 3.1 tt0 -157.09 -46.95 0.07 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.448 1.092 . . . . 1.0 110.299 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 617' ' ' ARG . . . . . 0.518 ' CZ ' ' OD1' ' A' ' 637' ' ' ASP . 1.7 ttm180 -156.39 138.19 14.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.432 1.082 . . . . 1.0 110.328 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 618' ' ' LYS . . . . . 0.571 ' HB3' ' C ' ' A' ' 612' ' ' THR . 9.1 tptt -117.8 -98.47 0.45 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 1.0 109.284 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 619' ' ' CYS . . . . . 0.472 ' O ' ' CG ' ' A' ' 611' ' ' GLU . 16.2 m -157.45 -172.68 4.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 1.0 108.295 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 620' ' ' LEU . . . . . 0.574 ' HA ' ' HA ' ' A' ' 611' ' ' GLU . 0.1 OUTLIER -99.91 140.94 33.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 1.0 109.293 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 621' ' ' LEU . . . . . 0.47 ' CD2' ' HG3' ' A' ' 610' ' ' GLU . 4.9 tp -94.64 158.37 15.55 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.605 1.191 . . . . 1.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 622' ' ' LEU . . . . . 0.636 ' CD2' HG12 ' A' ' 606' ' ' ILE . 0.9 OUTLIER -160.11 86.15 0.75 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 1.0 109.341 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 623' ' ' LYS . . . . . 0.452 ' HD3' ' HB2' ' A' ' 608' ' ' SER . 0.0 OUTLIER -93.2 136.78 33.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.383 1.052 . . . . 1.0 109.351 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 624' ' ' ILE . . . . . 0.698 ' HA ' ' HA ' ' A' ' 606' ' ' ILE . 79.2 mt -101.58 144.75 12.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.148 . . . . 1.0 109.313 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 625' ' ' ARG . . . . . 0.551 ' CB ' ' HG2' ' A' ' 607' ' ' GLN . 16.7 ptt180 -80.51 3.09 22.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 1.0 110.299 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 626' ' ' GLY . . . . . 0.402 ' H ' ' CG2' ' A' ' 624' ' ' ILE . . . -87.92 -22.15 43.47 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.544 1.153 . . . . 1.0 111.002 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 118.33 38.68 0.78 Allowed Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.055 -0.818 . . . . 1.0 111.055 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 628' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -141.97 167.72 21.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 0.779 . . . . 1.0 109.228 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -139.35 150.06 44.9 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.503 1.127 . . . . 1.0 110.262 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 630' ' ' PHE . . . . . 0.51 ' CG ' ' HE2' ' A' ' 567' ' ' LYS . 1.1 m-85 -142.62 158.19 43.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 1.0 110.975 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 631' ' ' ILE . . . . . 0.44 ' O ' ' HG2' ' A' ' 567' ' ' LYS . 0.1 OUTLIER -140.68 108.2 2.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 1.0 109.33 179.925 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 632' ' ' LEU . . . . . 0.577 HD13 ' CD1' ' A' ' 622' ' ' LEU . 0.4 OUTLIER -83.46 152.28 25.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 1.0 109.302 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 633' ' ' GLN . . . . . 0.689 ' NE2' ' HG ' ' A' ' 566' ' ' SER . 1.7 pp0? -153.26 117.98 5.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.402 1.064 . . . . 1.0 110.254 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 634' ' ' CYS . . . . . 0.498 ' SG ' ' HA ' ' A' ' 565' ' ' MET . 5.7 t -124.31 169.75 11.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.384 1.052 . . . . 1.0 108.349 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 635' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -87.17 -18.38 30.5 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.118 . . . . 1.0 109.346 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 636' ' ' SER . . . . . 0.548 ' HB2' ' HB2' ' A' ' 639' ' ' GLU . 2.4 m -94.85 152.26 18.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 1.0 110.0 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 637' ' ' ASP . . . . . 0.711 ' N ' ' CD ' ' A' ' 638' ' ' PRO . 0.4 OUTLIER -90.07 -39.89 0.41 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 1.0 109.304 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 638' ' ' PRO . . . . . 0.711 ' CD ' ' N ' ' A' ' 637' ' ' ASP . 17.8 Cg_endo -75.11 -55.88 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.48 1.779 . . . . 1.0 110.989 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 639' ' ' GLU . . . . . 0.573 ' C ' ' O ' ' A' ' 638' ' ' PRO . 46.9 mm-40 -24.28 -80.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 1.0 110.292 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 640' ' ' LEU . . . . . 0.551 ' CD1' ' CD1' ' A' ' 620' ' ' LEU . 0.2 OUTLIER -49.21 -46.29 45.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.146 . . . . 1.0 109.293 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 641' ' ' VAL . . . . . 0.52 ' CG1' ' N ' ' A' ' 642' ' ' GLN . 0.8 OUTLIER -46.05 -58.66 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 1.0 109.228 -179.927 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 642' ' ' GLN . . . . . 0.52 ' N ' ' CG1' ' A' ' 641' ' ' VAL . 1.2 mm-40 -62.98 -39.51 94.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 1.0 110.297 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 643' ' ' TRP . . . . . 0.7 ' CZ3' ' HB2' ' A' ' 583' ' ' LEU . 18.9 m95 -56.2 -41.79 76.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 1.0 108.047 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 644' ' ' LYS . . . . . 0.578 ' HA ' ' HB2' ' A' ' 647' ' ' LEU . 0.0 OUTLIER -58.16 -54.71 43.86 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.405 1.065 . . . . 1.0 109.258 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 1.4 tmtt? -44.26 -54.42 5.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 1.0 109.291 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 646' ' ' GLU . . . . . 0.521 ' CB ' HD21 ' A' ' 583' ' ' LEU . 0.1 OUTLIER -70.85 -29.0 65.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 1.0 110.341 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 647' ' ' LEU . . . . . 0.578 ' HB2' ' HA ' ' A' ' 644' ' ' LYS . 0.9 OUTLIER -70.78 -62.57 1.34 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.085 . . . . 1.0 109.253 -179.917 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 648' ' ' ARG . . . . . 0.53 ' N ' ' O ' ' A' ' 644' ' ' LYS . 0.4 OUTLIER -40.23 -50.59 2.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 1.0 110.281 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 649' ' ' ASP . . . . . 0.42 ' O ' ' N ' ' A' ' 653' ' ' GLU . 42.5 t0 -62.93 -50.0 72.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.153 . . . . 1.0 109.348 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 650' ' ' ALA . . . . . 0.41 ' O ' ' HE2' ' A' ' 603' ' ' MET . . . -46.04 -49.43 16.26 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.536 1.148 . . . . 1.0 109.242 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 651' ' ' TYR . . . . . 0.951 ' CD2' ' CG2' ' A' ' 606' ' ' ILE . 16.0 m-30 -73.37 -42.7 61.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.615 1.197 . . . . 1.0 110.995 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 652' ' ' ARG . . . . . 0.488 ' O ' ' HB2' ' A' ' 655' ' ' GLN . 70.3 mtp180 -60.07 -63.0 1.45 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.566 1.166 . . . . 1.0 110.314 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 653' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 649' ' ' ASP . 4.6 mt-10 -43.48 -51.35 6.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 1.0 110.296 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 654' ' ' ALA . . . . . 0.4 ' HB2' ' HA ' ' A' ' 604' ' ' GLU . . . -50.52 -36.13 32.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 1.0 109.227 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 655' ' ' GLN . . . . . 0.488 ' HB2' ' O ' ' A' ' 652' ' ' ARG . 63.5 mt-30 . . . . . 0 C--N 1.324 -0.533 0 O-C-N 124.514 1.134 . . . . 1.0 110.278 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 559' ' ' CYS . . . . . . . . . . . . . 24.2 t . . . . . 0 N--CA 1.454 -0.23 0 N-CA-C 108.34 -0.985 . . . . 1.0 108.34 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 560' ' ' ILE . . . . . 0.657 HD13 ' O ' ' A' ' 584' ' ' PHE . 12.5 mt -87.32 -55.72 6.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.49 1.119 . . . . 1.0 109.364 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 561' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.15 153.36 41.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.587 1.18 . . . . 1.0 111.046 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 562' ' ' HIS . . . . . . . . . . . . . 14.1 p-80 -151.61 169.81 21.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.086 . . . . 1.0 109.636 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 563' ' ' GLY . . . . . 0.474 ' O ' ' CD1' ' A' ' 580' ' ' TYR . . . 138.31 -158.26 24.8 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.491 1.12 . . . . 1.0 111.019 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 564' ' ' TYR . . . . . 0.402 ' HE1' ' CA ' ' A' ' 579' ' ' ARG . 0.2 OUTLIER -92.57 127.07 37.93 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.403 0.708 . . . . 1.0 111.041 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 565' ' ' MET . . . . . 0.671 ' HE2' ' CD2' ' A' ' 581' ' ' PHE . 0.0 OUTLIER -145.67 133.98 21.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.1 . . . . 1.0 111.022 -179.909 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 566' ' ' SER . . . . . 0.463 ' HB2' ' HA ' ' A' ' 578' ' ' ARG . 0.4 OUTLIER -102.39 138.98 38.6 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.54 1.15 . . . . 1.0 109.992 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 567' ' ' LYS . . . . . 0.553 ' HB3' ' CZ ' ' A' ' 581' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.58 1.175 . . . . 1.0 109.283 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 578' ' ' ARG . . . . . 0.463 ' HA ' ' HB2' ' A' ' 566' ' ' SER . 1.5 mpt_? . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 110.231 -0.285 . . . . 1.0 110.231 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 579' ' ' ARG . . . . . 0.661 ' O ' ' O ' ' A' ' 565' ' ' MET . 3.0 mmm-85 -135.53 166.17 23.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 1.0 110.26 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 580' ' ' TYR . . . . . 0.474 ' CD1' ' O ' ' A' ' 563' ' ' GLY . 0.4 OUTLIER -87.58 122.64 31.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 1.0 111.031 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 581' ' ' PHE . . . . . 0.671 ' CD2' ' HE2' ' A' ' 565' ' ' MET . 8.8 m-85 -116.0 157.56 24.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 1.0 110.951 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 582' ' ' TYR . . . . . 0.726 ' O ' ' CD1' ' A' ' 582' ' ' TYR . 0.2 OUTLIER -142.95 124.16 14.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 1.0 110.998 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 583' ' ' LEU . . . . . 0.807 ' HB2' ' CZ3' ' A' ' 643' ' ' TRP . 6.5 tp -97.48 127.72 43.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.161 . . . . 1.0 109.282 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 584' ' ' PHE . . . . . 0.657 ' O ' HD13 ' A' ' 560' ' ' ILE . 0.3 OUTLIER -115.09 176.95 1.3 Allowed Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.46 1.1 . . . . 1.0 110.954 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 585' ' ' PRO . . . . . 0.638 ' HA ' HD12 ' A' ' 560' ' ' ILE . 18.1 Cg_endo -75.04 0.77 8.52 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.506 1.792 . . . . 1.0 111.011 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 586' ' ' ASN . . . . . 0.696 ' HA ' ' CG ' ' A' ' 603' ' ' MET . 1.1 m120 -166.67 -41.81 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.517 1.136 . . . . 1.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 587' ' ' ARG . . . . . 0.482 ' HA ' ' HA ' ' A' ' 602' ' ' THR . 6.3 mtp180 -87.32 179.52 6.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 1.0 110.3 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 588' ' ' LEU . . . . . 0.474 ' HA ' ' CE1' ' A' ' 582' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.643 1.214 . . . . 1.0 109.266 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 1.7 mm? . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.297 -0.631 . . . . 1.0 109.297 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 602' ' ' THR . . . . . 0.482 ' HA ' ' HA ' ' A' ' 587' ' ' ARG . 0.0 OUTLIER -105.72 -159.35 0.7 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 1.0 110.375 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 603' ' ' MET . . . . . 0.696 ' CG ' ' HA ' ' A' ' 586' ' ' ASN . 0.0 OUTLIER -128.38 33.99 4.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.546 1.154 . . . . 1.0 111.005 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 604' ' ' GLU . . . . . 0.516 ' HA ' ' HB2' ' A' ' 654' ' ' ALA . 9.9 pt-20 -125.49 61.45 1.22 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 1.0 110.313 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 605' ' ' GLU . . . . . 0.458 ' O ' ' C ' ' A' ' 606' ' ' ILE . 2.7 pt-20 -159.09 -49.45 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 1.0 110.284 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 606' ' ' ILE . . . . . 0.948 ' CG2' ' CD2' ' A' ' 651' ' ' TYR . 1.2 mp -36.25 139.77 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.127 . . . . 1.0 109.258 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 607' ' ' GLN . . . . . 0.563 ' CG ' ' CB ' ' A' ' 625' ' ' ARG . 0.0 OUTLIER -95.96 -35.44 11.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 1.0 110.301 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 1.3 m -172.59 135.38 0.68 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 1.0 109.995 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 609' ' ' VAL . . . . . 0.557 ' CG2' ' CD ' ' A' ' 644' ' ' LYS . 3.7 p -107.73 140.6 25.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.15 . . . . 1.0 109.304 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 610' ' ' GLU . . . . . 0.49 ' HG3' ' CD2' ' A' ' 621' ' ' LEU . 0.1 OUTLIER -156.99 -166.26 2.04 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.408 1.067 . . . . 1.0 110.255 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 611' ' ' GLU . . . . . 0.534 ' HA ' ' HA ' ' A' ' 620' ' ' LEU . 19.2 tt0 -145.39 143.18 29.95 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.34 1.025 . . . . 1.0 110.363 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 612' ' ' THR . . . . . 0.538 ' C ' ' HB3' ' A' ' 618' ' ' LYS . 0.0 OUTLIER -103.83 165.86 10.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.44 1.087 . . . . 1.0 110.412 179.905 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -132.03 161.29 33.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.374 1.046 . . . . 1.0 110.294 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 614' ' ' ILE . . . . . 0.672 ' O ' ' CG2' ' A' ' 614' ' ' ILE . 0.2 OUTLIER -145.98 84.94 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.123 . . . . 1.0 109.291 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 615' ' ' LYS . . . . . 0.43 ' HB2' ' O ' ' A' ' 614' ' ' ILE . 37.6 mmtt 82.07 -34.19 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 1.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 616' ' ' GLU . . . . . 0.422 ' H ' ' C ' ' A' ' 614' ' ' ILE . 3.8 tt0 -155.66 -49.42 0.08 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.556 1.16 . . . . 1.0 110.284 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 10.0 ttt85 -155.35 139.42 16.45 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 1.0 110.295 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 618' ' ' LYS . . . . . 0.538 ' HG2' ' CD1' ' A' ' 614' ' ' ILE . 10.6 tptt -118.46 -96.71 0.47 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.567 1.167 . . . . 1.0 109.279 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 619' ' ' CYS . . . . . 0.51 ' O ' ' CG ' ' A' ' 611' ' ' GLU . 14.7 m -157.86 -176.91 6.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 1.0 108.208 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 620' ' ' LEU . . . . . 0.599 ' CD1' ' CD1' ' A' ' 640' ' ' LEU . 0.2 OUTLIER -95.93 150.5 20.37 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.515 1.135 . . . . 1.0 109.308 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 621' ' ' LEU . . . . . 0.49 ' CD2' ' HG3' ' A' ' 610' ' ' GLU . 0.4 OUTLIER -110.73 160.17 16.95 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.569 1.168 . . . . 1.0 109.265 -179.941 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 622' ' ' LEU . . . . . 0.551 ' CD2' ' HE2' ' A' ' 651' ' ' TYR . 9.0 mt -154.71 85.44 1.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 1.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 623' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.69 137.46 32.81 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 1.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 624' ' ' ILE . . . . . 0.722 ' HA ' ' HA ' ' A' ' 606' ' ' ILE . 67.1 mt -105.92 145.77 13.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 1.0 109.299 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 625' ' ' ARG . . . . . 0.563 ' CB ' ' CG ' ' A' ' 607' ' ' GLN . 13.6 ptt180 -77.46 2.23 16.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 1.0 110.289 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 626' ' ' GLY . . . . . 0.406 ' H ' ' CG2' ' A' ' 624' ' ' ILE . . . -90.15 -19.49 46.15 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.469 1.105 . . . . 1.0 110.981 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 112.68 41.08 1.05 Allowed Glycine 0 CA--C 1.53 1.002 0 N-CA-C 110.991 -0.844 . . . . 1.0 110.991 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 628' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.89 169.96 16.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 0.782 . . . . 1.0 109.34 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 9.2 mp0 -141.46 147.48 37.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.145 . . . . 1.0 110.349 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 630' ' ' PHE . . . . . 0.505 ' CD1' ' HE2' ' A' ' 567' ' ' LYS . 0.6 OUTLIER -133.35 150.0 51.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.529 1.143 . . . . 1.0 110.868 -179.917 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 631' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -128.37 121.8 56.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 1.0 109.343 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 632' ' ' LEU . . . . . 0.515 ' CD2' HD13 ' A' ' 622' ' ' LEU . 0.9 OUTLIER -105.75 154.99 19.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 1.0 109.329 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 633' ' ' GLN . . . . . 0.458 ' HB2' ' SG ' ' A' ' 619' ' ' CYS . 64.1 tt0 -155.48 134.83 12.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.58 1.175 . . . . 1.0 110.29 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 634' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -143.06 155.18 44.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.107 . . . . 1.0 108.307 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 635' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -78.81 -19.73 51.41 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.532 1.145 . . . . 1.0 109.246 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 636' ' ' SER . . . . . 0.515 ' HB2' ' CG ' ' A' ' 639' ' ' GLU . 0.8 OUTLIER -96.4 146.29 24.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.589 1.18 . . . . 1.0 110.021 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 637' ' ' ASP . . . . . 0.723 ' N ' ' CD ' ' A' ' 638' ' ' PRO . 0.5 OUTLIER -79.14 -38.25 1.31 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.088 . . . . 1.0 109.31 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 638' ' ' PRO . . . . . 0.723 ' CD ' ' N ' ' A' ' 637' ' ' ASP . 18.3 Cg_endo -74.97 -61.54 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.403 1.738 . . . . 1.0 110.983 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 639' ' ' GLU . . . . . 0.599 ' C ' ' O ' ' A' ' 638' ' ' PRO . 72.6 mm-40 -21.38 -80.07 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.507 1.129 . . . . 1.0 110.308 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 640' ' ' LEU . . . . . 0.599 ' CD1' ' CD1' ' A' ' 620' ' ' LEU . 0.2 OUTLIER -50.2 -50.71 48.62 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 1.0 109.253 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 641' ' ' VAL . . . . . 0.516 ' N ' ' O ' ' A' ' 638' ' ' PRO . 1.1 t -43.24 -59.88 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 1.0 109.243 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 642' ' ' GLN . . . . . 0.418 ' N ' ' CG1' ' A' ' 641' ' ' VAL . 0.0 OUTLIER -58.91 -40.65 85.15 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.541 1.151 . . . . 1.0 110.292 -179.923 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 643' ' ' TRP . . . . . 0.807 ' CZ3' ' HB2' ' A' ' 583' ' ' LEU . 15.3 m95 -51.76 -50.3 60.95 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 107.979 -1.119 . . . . 1.0 107.979 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 644' ' ' LYS . . . . . 0.559 ' O ' ' N ' ' A' ' 648' ' ' ARG . 0.3 OUTLIER -52.63 -60.14 3.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 1.0 109.256 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 645' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 644' ' ' LYS . 0.0 OUTLIER -38.61 -49.25 1.52 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.608 1.193 . . . . 1.0 109.236 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 646' ' ' GLU . . . . . 0.603 ' CB ' HD21 ' A' ' 583' ' ' LEU . 1.8 mt-10 -73.38 -37.39 66.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 1.0 110.333 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 647' ' ' LEU . . . . . 0.549 ' CD2' ' OH ' ' A' ' 651' ' ' TYR . 0.4 OUTLIER -67.45 -62.77 1.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.103 . . . . 1.0 109.198 -179.874 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 648' ' ' ARG . . . . . 0.559 ' N ' ' O ' ' A' ' 644' ' ' LYS . 0.1 OUTLIER -39.12 -50.64 1.88 Allowed 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.478 1.111 . . . . 1.0 110.288 -179.932 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 649' ' ' ASP . . . . . 0.527 ' HA ' ' CD ' ' A' ' 652' ' ' ARG . 13.6 t70 -65.95 -55.15 18.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 1.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 650' ' ' ALA . . . . . 0.444 ' HB2' ' CB ' ' A' ' 603' ' ' MET . . . -37.67 -40.16 0.39 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.649 1.218 . . . . 1.0 109.453 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 651' ' ' TYR . . . . . 0.948 ' CD2' ' CG2' ' A' ' 606' ' ' ILE . 14.6 m-30 -80.24 -40.71 26.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 1.0 110.986 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 652' ' ' ARG . . . . . 0.527 ' CD ' ' HA ' ' A' ' 649' ' ' ASP . 0.1 OUTLIER -69.63 -35.16 74.98 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.559 1.162 . . . . 1.0 110.259 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 653' ' ' GLU . . . . . 0.49 ' N ' ' O ' ' A' ' 649' ' ' ASP . 0.9 OUTLIER -70.99 -35.7 72.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 1.0 110.322 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 654' ' ' ALA . . . . . 0.516 ' HB2' ' HA ' ' A' ' 604' ' ' GLU . . . -78.73 -53.54 7.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 1.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 655' ' ' GLN . . . . . 0.506 ' HG2' ' O ' ' A' ' 652' ' ' ARG . 2.8 pt20 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 1.0 110.352 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 559' ' ' CYS . . . . . . . . . . . . . 8.3 t . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 108.257 -1.016 . . . . 1.0 108.257 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 560' ' ' ILE . . . . . 0.736 ' HB ' ' CD2' ' A' ' 583' ' ' LEU . 10.6 mt -96.54 -52.75 8.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 1.0 109.258 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 561' ' ' MET . . . . . 0.485 ' CE ' ' OE2' ' A' ' 646' ' ' GLU . 0.4 OUTLIER -150.3 154.45 37.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.394 1.059 . . . . 1.0 111.018 -179.909 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 562' ' ' HIS . . . . . . . . . . . . . 4.3 p80 -147.51 155.84 42.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 1.0 109.637 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 563' ' ' GLY . . . . . 0.47 ' N ' ' HZ2' ' A' ' 643' ' ' TRP . . . 168.03 -168.64 40.91 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.456 1.097 . . . . 1.0 111.012 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 564' ' ' TYR . . . . . 0.465 ' O ' ' SG ' ' A' ' 634' ' ' CYS . 0.3 OUTLIER -94.72 124.17 38.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 0.776 . . . . 1.0 111.11 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 565' ' ' MET . . . . . 0.537 ' O ' ' O ' ' A' ' 579' ' ' ARG . 5.4 mtm -143.92 151.44 39.8 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.516 1.135 . . . . 1.0 111.027 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.72 148.43 44.63 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.464 1.103 . . . . 1.0 109.929 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 567' ' ' LYS . . . . . 0.538 ' HA ' ' HA ' ' A' ' 632' ' ' LEU . 35.5 ttpt . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.561 1.163 . . . . 1.0 109.306 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 578' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.262 -0.273 . . . . 1.0 110.262 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 579' ' ' ARG . . . . . 0.537 ' O ' ' O ' ' A' ' 565' ' ' MET . 13.6 mtp85 -118.39 163.63 16.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 1.0 110.32 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 580' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -87.65 120.73 29.26 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.14 . . . . 1.0 111.036 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 581' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -108.04 161.23 15.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.137 . . . . 1.0 110.974 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 582' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -147.53 110.23 4.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.411 1.069 . . . . 1.0 110.985 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 583' ' ' LEU . . . . . 0.736 ' CD2' ' HB ' ' A' ' 560' ' ' ILE . 0.5 OUTLIER -89.32 113.74 25.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 1.0 109.304 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 584' ' ' PHE . . . . . 0.593 ' CD2' ' HD2' ' A' ' 585' ' ' PRO . 0.2 OUTLIER -97.35 179.96 1.0 Allowed Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.524 1.14 . . . . 1.0 111.109 179.916 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 585' ' ' PRO . . . . . 0.593 ' HD2' ' CD2' ' A' ' 584' ' ' PHE . 18.3 Cg_endo -74.99 9.08 2.14 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.516 1.798 . . . . 1.0 111.025 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 586' ' ' ASN . . . . . 0.564 ' O ' ' N ' ' A' ' 603' ' ' MET . 20.8 m-20 179.95 -41.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 1.0 109.366 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 587' ' ' ARG . . . . . 0.471 ' O ' ' HB2' ' A' ' 584' ' ' PHE . 0.0 OUTLIER -89.98 -172.93 3.69 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.506 1.129 . . . . 1.0 110.273 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 588' ' ' LEU . . . . . 0.554 ' CD1' ' C ' ' A' ' 588' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 1.0 109.252 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.231 -0.655 . . . . 1.0 109.231 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 602' ' ' THR . . . . . 0.441 ' HA ' ' HA ' ' A' ' 587' ' ' ARG . 0.2 OUTLIER -113.8 -177.39 3.12 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.552 1.158 . . . . 1.0 110.424 179.93 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 603' ' ' MET . . . . . 0.608 ' O ' ' HA ' ' A' ' 651' ' ' TYR . 0.0 OUTLIER -128.36 42.5 3.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 1.0 111.035 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 604' ' ' GLU . . . . . 0.585 ' HB3' ' HB3' ' A' ' 654' ' ' ALA . 12.5 pt-20 -124.3 57.26 1.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.421 1.076 . . . . 1.0 110.273 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 605' ' ' GLU . . . . . 0.475 ' O ' ' C ' ' A' ' 606' ' ' ILE . 1.5 pt-20 -156.76 -42.08 0.07 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.603 1.189 . . . . 1.0 110.232 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 606' ' ' ILE . . . . . 0.788 ' CG2' ' CD2' ' A' ' 651' ' ' TYR . 1.1 mp -34.56 135.89 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 1.0 109.281 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 607' ' ' GLN . . . . . 0.441 ' HG2' ' CB ' ' A' ' 625' ' ' ARG . 1.0 OUTLIER -90.89 -37.46 13.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 1.0 110.304 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -174.42 134.98 0.42 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.574 1.171 . . . . 1.0 110.001 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 609' ' ' VAL . . . . . 0.646 ' CG2' ' CD ' ' A' ' 644' ' ' LYS . 5.8 p -108.08 142.87 19.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.57 1.169 . . . . 1.0 109.343 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 610' ' ' GLU . . . . . 0.447 ' CG ' HD22 ' A' ' 621' ' ' LEU . 0.1 OUTLIER -162.71 -171.23 2.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 1.0 110.322 179.93 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 611' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -115.24 177.65 4.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.452 1.095 . . . . 1.0 110.305 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 612' ' ' THR . . . . . 0.673 ' O ' ' CB ' ' A' ' 618' ' ' LYS . 3.8 t -156.94 153.12 27.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.583 1.177 . . . . 1.0 110.455 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -116.25 174.24 6.16 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.415 1.072 . . . . 1.0 110.276 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 614' ' ' ILE . . . . . 0.644 ' O ' ' CG2' ' A' ' 614' ' ' ILE . 0.0 OUTLIER -152.13 41.13 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.113 . . . . 1.0 109.325 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 615' ' ' LYS . . . . . 0.432 ' HB2' ' O ' ' A' ' 614' ' ' ILE . 27.3 mmtt 82.75 -21.02 0.31 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.434 1.084 . . . . 1.0 109.284 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 616' ' ' GLU . . . . . 0.443 ' O ' ' CD ' ' A' ' 618' ' ' LYS . 1.1 tt0 -160.07 -54.52 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 1.0 110.304 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 617' ' ' ARG . . . . . 0.511 ' C ' ' CD ' ' A' ' 618' ' ' LYS . 1.4 ttt180 -85.35 152.0 23.59 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.399 1.062 . . . . 1.0 110.229 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 618' ' ' LYS . . . . . 0.673 ' CB ' ' O ' ' A' ' 612' ' ' THR . 0.0 OUTLIER -136.27 165.35 25.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.582 1.176 . . . . 1.0 109.293 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 619' ' ' CYS . . . . . 0.447 ' SG ' ' C ' ' A' ' 618' ' ' LYS . 6.6 m -151.58 151.96 32.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 1.0 108.263 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 620' ' ' LEU . . . . . 0.525 ' CD2' HD13 ' A' ' 640' ' ' LEU . 0.3 OUTLIER -85.34 122.54 29.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 1.0 109.288 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 621' ' ' LEU . . . . . 0.447 HD22 ' CG ' ' A' ' 610' ' ' GLU . 0.7 OUTLIER -84.32 158.2 21.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 1.0 109.288 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 622' ' ' LEU . . . . . 0.655 HD22 ' CE2' ' A' ' 651' ' ' TYR . 0.1 OUTLIER -155.5 77.65 0.99 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 1.0 109.342 -179.936 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 623' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.25 137.37 38.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 1.0 109.204 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 624' ' ' ILE . . . . . 0.547 ' HA ' ' HA ' ' A' ' 606' ' ' ILE . 5.0 mt -102.45 149.48 6.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.567 1.167 . . . . 1.0 109.271 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 625' ' ' ARG . . . . . 0.452 ' N ' HG21 ' A' ' 624' ' ' ILE . 13.9 ptt180 -77.96 3.5 14.49 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.46 1.1 . . . . 1.0 110.315 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 626' ' ' GLY . . . . . . . . . . . . . . . -96.56 -19.98 25.95 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.547 1.154 . . . . 1.0 110.987 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 112.56 33.5 2.07 Favored Glycine 0 CA--C 1.529 0.959 0 N-CA-C 111.053 -0.819 . . . . 1.0 111.053 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 628' ' ' LYS . . . . . . . . . . . . . 2.7 mttt -128.69 133.22 48.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 0.762 . . . . 1.0 109.313 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -110.85 136.77 49.4 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.46 1.1 . . . . 1.0 110.279 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 630' ' ' PHE . . . . . 0.49 ' O ' ' N ' ' A' ' 622' ' ' LEU . 4.8 m-85 -131.67 141.62 49.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.586 1.179 . . . . 1.0 111.019 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 631' ' ' ILE . . . . . 0.51 ' CG2' ' O ' ' A' ' 631' ' ' ILE . 0.6 OUTLIER -135.39 103.72 4.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 1.0 109.267 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 632' ' ' LEU . . . . . 0.576 ' N ' ' CD2' ' A' ' 632' ' ' LEU . 0.1 OUTLIER -106.76 153.6 22.21 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.533 1.146 . . . . 1.0 109.264 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 633' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.73 152.48 41.32 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.574 1.171 . . . . 1.0 110.29 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 634' ' ' CYS . . . . . 0.514 ' SG ' ' HA ' ' A' ' 565' ' ' MET . 2.0 t -134.65 178.56 6.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 1.0 108.253 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 635' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.03 -21.39 23.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 1.0 109.3 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 636' ' ' SER . . . . . 0.614 ' CB ' ' CG ' ' A' ' 639' ' ' GLU . 0.8 OUTLIER -86.98 145.32 26.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.559 1.162 . . . . 1.0 109.981 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 637' ' ' ASP . . . . . 0.603 ' N ' ' CD ' ' A' ' 638' ' ' PRO . 0.2 OUTLIER -85.17 -46.81 0.63 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 1.0 109.29 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 638' ' ' PRO . . . . . 0.603 ' CD ' ' N ' ' A' ' 637' ' ' ASP . 18.3 Cg_endo -74.98 -48.94 0.16 Allowed 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.43 1.753 . . . . 1.0 111.051 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 639' ' ' GLU . . . . . 0.614 ' CG ' ' CB ' ' A' ' 636' ' ' SER . 43.0 mm-40 -27.71 -81.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.421 1.076 . . . . 1.0 110.245 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 640' ' ' LEU . . . . . 0.526 ' HA ' ' HB2' ' A' ' 643' ' ' TRP . 0.2 OUTLIER -47.34 -45.5 24.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.15 . . . . 1.0 109.328 179.951 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 641' ' ' VAL . . . . . 0.489 ' CG1' ' N ' ' A' ' 642' ' ' GLN . 0.7 OUTLIER -47.59 -56.21 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.586 1.179 . . . . 1.0 109.293 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 642' ' ' GLN . . . . . 0.489 ' N ' ' CG1' ' A' ' 641' ' ' VAL . 1.1 mt-30 -65.74 -38.46 89.19 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.585 1.178 . . . . 1.0 110.315 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 643' ' ' TRP . . . . . 0.539 ' CZ3' ' CB ' ' A' ' 583' ' ' LEU . 14.7 m95 -56.74 -44.43 81.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 1.0 108.006 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 644' ' ' LYS . . . . . 0.646 ' CD ' ' CG2' ' A' ' 609' ' ' VAL . 4.7 ttpp -54.64 -57.42 11.52 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 1.0 109.338 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 645' ' ' LYS . . . . . 0.407 ' HB3' ' OE1' ' A' ' 646' ' ' GLU . 5.9 tmtt? -41.11 -53.02 3.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.441 1.088 . . . . 1.0 109.326 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 646' ' ' GLU . . . . . 0.681 ' HB2' HD12 ' A' ' 583' ' ' LEU . 0.7 OUTLIER -69.34 -34.83 75.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.417 1.073 . . . . 1.0 110.377 179.928 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 647' ' ' LEU . . . . . 0.555 ' HB2' ' HA ' ' A' ' 644' ' ' LYS . 33.7 mt -65.32 -63.78 1.02 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 1.0 109.303 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 648' ' ' ARG . . . . . 0.612 ' HG3' ' CG1' ' A' ' 609' ' ' VAL . 0.0 OUTLIER -38.18 -50.98 1.44 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.461 1.1 . . . . 1.0 110.347 -179.933 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 649' ' ' ASP . . . . . 0.494 ' O ' ' N ' ' A' ' 652' ' ' ARG . 13.8 t70 -68.0 -54.8 15.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 1.0 109.336 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 650' ' ' ALA . . . . . 0.425 ' O ' ' HB1' ' A' ' 654' ' ' ALA . . . -39.44 -39.29 0.66 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 1.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 651' ' ' TYR . . . . . 0.788 ' CD2' ' CG2' ' A' ' 606' ' ' ILE . 4.6 m-30 -79.33 -38.67 34.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.426 1.079 . . . . 1.0 111.083 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 652' ' ' ARG . . . . . 0.543 ' HA ' ' HG2' ' A' ' 655' ' ' GLN . 0.8 OUTLIER -72.35 -40.83 67.08 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.537 1.148 . . . . 1.0 110.392 179.877 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 653' ' ' GLU . . . . . 0.48 ' N ' ' CG ' ' A' ' 652' ' ' ARG . 0.1 OUTLIER -66.66 -35.01 79.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 1.0 110.323 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 654' ' ' ALA . . . . . 0.585 ' HB3' ' HB3' ' A' ' 604' ' ' GLU . . . -78.25 -55.36 5.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.16 . . . . 1.0 109.422 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 655' ' ' GLN . . . . . 0.543 ' HG2' ' HA ' ' A' ' 652' ' ' ARG . 4.7 pt20 . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.566 1.167 . . . . 1.0 110.211 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 559' ' ' CYS . . . . . 0.461 ' SG ' ' O ' ' A' ' 583' ' ' LEU . 53.8 t . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 108.337 -0.986 . . . . 1.0 108.337 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 560' ' ' ILE . . . . . 0.915 HG21 ' CG ' ' A' ' 646' ' ' GLU . 55.2 mt -69.25 -60.11 2.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.582 1.177 . . . . 1.0 109.329 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 561' ' ' MET . . . . . 0.566 ' HB2' ' HG2' ' A' ' 646' ' ' GLU . 0.0 OUTLIER -149.23 161.35 42.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.434 1.084 . . . . 1.0 111.003 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 562' ' ' HIS . . . . . 0.415 ' HA ' ' CZ2' ' A' ' 643' ' ' TRP . 0.8 OUTLIER -160.23 151.48 19.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 1.0 109.592 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 563' ' ' GLY . . . . . . . . . . . . . . . 167.86 -164.15 37.73 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.478 1.111 . . . . 1.0 111.004 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 564' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -104.55 123.57 47.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 0.772 . . . . 1.0 111.021 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 565' ' ' MET . . . . . 0.573 ' SD ' ' CD2' ' A' ' 643' ' ' TRP . 10.9 ptm -151.17 142.67 23.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 1.0 111.011 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 566' ' ' SER . . . . . 0.543 ' OG ' ' CG ' ' A' ' 633' ' ' GLN . 1.0 OUTLIER -86.02 155.89 20.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.43 1.081 . . . . 1.0 109.999 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 567' ' ' LYS . . . . . 0.549 ' CG ' ' HB3' ' A' ' 632' ' ' LEU . 3.0 tttp . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.387 1.054 . . . . 1.0 109.334 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 578' ' ' ARG . . . . . 0.432 ' HA ' ' HB2' ' A' ' 566' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 110.349 -0.241 . . . . 1.0 110.349 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 579' ' ' ARG . . . . . 0.525 ' O ' ' O ' ' A' ' 565' ' ' MET . 0.6 OUTLIER -140.78 164.78 29.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 1.0 110.276 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 580' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -89.15 125.93 35.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.555 1.159 . . . . 1.0 111.044 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 581' ' ' PHE . . . . . 0.466 ' CZ ' ' HB3' ' A' ' 567' ' ' LYS . 25.7 m-85 -120.33 163.76 17.34 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.449 1.093 . . . . 1.0 110.987 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 582' ' ' TYR . . . . . 0.631 ' CA ' ' HH2' ' A' ' 643' ' ' TRP . 14.4 m-85 -139.36 121.18 15.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 1.0 110.951 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 583' ' ' LEU . . . . . 0.8 ' HB2' ' CZ3' ' A' ' 643' ' ' TRP . 7.7 tp -88.31 102.74 15.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.566 1.166 . . . . 1.0 109.252 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 584' ' ' PHE . . . . . 0.436 ' HB2' ' O ' ' A' ' 587' ' ' ARG . 0.3 OUTLIER -104.31 152.71 39.29 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 1.0 111.009 179.91 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 585' ' ' PRO . . . . . 0.644 ' O ' ' CB ' ' A' ' 586' ' ' ASN . 18.4 Cg_endo -75.04 66.83 6.04 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.386 1.729 . . . . 1.0 110.983 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 586' ' ' ASN . . . . . 0.771 ' CA ' ' HG2' ' A' ' 603' ' ' MET . 24.2 m-20 142.24 -40.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.085 . . . . 1.0 109.317 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 587' ' ' ARG . . . . . 0.575 ' HA ' ' HA ' ' A' ' 602' ' ' THR . 0.1 OUTLIER -122.53 -175.94 3.26 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.482 1.114 . . . . 1.0 110.261 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 588' ' ' LEU . . . . . 0.421 ' HA ' ' O ' ' A' ' 582' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 1.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.364 0 N-CA-C 109.36 -0.608 . . . . 1.0 109.36 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 602' ' ' THR . . . . . 0.575 ' HA ' ' HA ' ' A' ' 587' ' ' ARG . 0.0 OUTLIER -104.63 -172.85 2.18 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.445 1.09 . . . . 1.0 110.395 -179.937 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 603' ' ' MET . . . . . 0.771 ' HG2' ' CA ' ' A' ' 586' ' ' ASN . 0.0 OUTLIER -129.31 30.11 5.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 1.0 110.976 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -123.82 58.43 1.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 1.0 110.271 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 605' ' ' GLU . . . . . 0.456 ' O ' ' C ' ' A' ' 606' ' ' ILE . 3.3 pt-20 -157.76 -51.49 0.07 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.527 1.142 . . . . 1.0 110.321 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 606' ' ' ILE . . . . . 0.967 ' CG2' ' CD2' ' A' ' 651' ' ' TYR . 0.9 OUTLIER -35.36 135.01 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.57 1.169 . . . . 1.0 109.322 179.945 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 607' ' ' GLN . . . . . 0.549 ' HG2' ' CB ' ' A' ' 625' ' ' ARG . 0.0 OUTLIER -87.42 -37.21 17.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.424 1.078 . . . . 1.0 110.367 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 608' ' ' SER . . . . . 0.428 ' HB2' ' HD3' ' A' ' 623' ' ' LYS . 3.5 m -174.9 134.18 0.35 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 1.0 109.98 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 609' ' ' VAL . . . . . 0.607 ' CG2' ' CD ' ' A' ' 644' ' ' LYS . 3.3 p -104.12 127.99 57.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 1.0 109.363 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 610' ' ' GLU . . . . . 0.514 ' HG3' ' CD2' ' A' ' 621' ' ' LEU . 3.1 pt-20 -150.39 -170.27 3.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 1.0 110.317 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 611' ' ' GLU . . . . . 0.51 ' HA ' ' HA ' ' A' ' 620' ' ' LEU . 18.7 tt0 -140.39 142.39 35.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 1.0 110.32 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 612' ' ' THR . . . . . 0.562 ' C ' ' HB3' ' A' ' 618' ' ' LYS . 0.0 OUTLIER -102.95 164.49 11.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 1.0 110.393 -179.919 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 60.5 mt-30 -129.89 160.86 32.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 1.0 110.337 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 614' ' ' ILE . . . . . 0.69 ' O ' ' CG2' ' A' ' 614' ' ' ILE . 0.1 OUTLIER -145.55 84.33 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.422 1.076 . . . . 1.0 109.379 179.934 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 615' ' ' LYS . . . . . 0.414 ' HB2' ' O ' ' A' ' 614' ' ' ILE . 2.8 mmmt 81.89 -33.18 0.1 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.456 1.097 . . . . 1.0 109.273 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 616' ' ' GLU . . . . . 0.433 ' H ' ' C ' ' A' ' 614' ' ' ILE . 3.5 tt0 -156.23 -48.41 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.596 1.185 . . . . 1.0 110.294 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -157.18 138.23 13.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.59 1.181 . . . . 1.0 110.27 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 618' ' ' LYS . . . . . 0.562 ' HB3' ' C ' ' A' ' 612' ' ' THR . 11.4 tptt -116.33 -97.16 0.46 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.418 1.074 . . . . 1.0 109.323 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 619' ' ' CYS . . . . . 0.473 ' O ' ' CG ' ' A' ' 611' ' ' GLU . 52.9 m -157.29 -178.91 7.7 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.564 1.165 . . . . 1.0 108.326 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 620' ' ' LEU . . . . . 0.52 ' CD1' ' CD1' ' A' ' 640' ' ' LEU . 0.2 OUTLIER -96.39 141.19 30.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 1.0 109.314 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 621' ' ' LEU . . . . . 0.514 ' CD2' ' HG3' ' A' ' 610' ' ' GLU . 1.0 OUTLIER -105.28 162.89 13.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 1.0 109.376 179.94 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 622' ' ' LEU . . . . . 0.474 HD11 ' CD2' ' A' ' 632' ' ' LEU . 0.1 OUTLIER -160.57 78.09 0.62 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 1.0 109.298 -179.919 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 623' ' ' LYS . . . . . 0.428 ' HD3' ' HB2' ' A' ' 608' ' ' SER . 0.0 OUTLIER -76.38 141.03 41.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.393 1.058 . . . . 1.0 109.292 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 624' ' ' ILE . . . . . 0.747 ' HA ' ' HA ' ' A' ' 606' ' ' ILE . 56.3 mt -106.24 145.64 13.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 1.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 625' ' ' ARG . . . . . 0.549 ' CB ' ' HG2' ' A' ' 607' ' ' GLN . 20.5 ptt180 -77.65 2.88 15.33 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.524 1.14 . . . . 1.0 110.252 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 626' ' ' GLY . . . . . . . . . . . . . . . -93.6 -22.9 25.13 Favored Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.517 1.136 . . . . 1.0 110.942 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 114.2 41.42 0.9 Allowed Glycine 0 CA--C 1.529 0.956 0 N-CA-C 111.058 -0.817 . . . . 1.0 111.058 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 628' ' ' LYS . . . . . . . . . . . . . 4.5 mtmt -147.21 120.79 9.13 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.469 0.747 . . . . 1.0 109.257 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -99.54 148.51 24.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.578 1.174 . . . . 1.0 110.379 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 630' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -127.21 157.46 39.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 1.0 111.053 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 631' ' ' ILE . . . . . 0.423 ' O ' ' CG2' ' A' ' 631' ' ' ILE . 0.5 OUTLIER -144.35 103.72 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 1.0 109.264 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 632' ' ' LEU . . . . . 0.549 ' HB3' ' CG ' ' A' ' 567' ' ' LYS . 0.2 OUTLIER -116.89 166.2 12.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.155 . . . . 1.0 109.294 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 633' ' ' GLN . . . . . 0.543 ' CG ' ' OG ' ' A' ' 566' ' ' SER . 12.1 pt20 -146.42 174.15 11.65 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.432 1.082 . . . . 1.0 110.296 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 634' ' ' CYS . . . . . 0.553 ' SG ' ' HA ' ' A' ' 565' ' ' MET . 0.5 OUTLIER -155.32 160.51 40.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 1.0 108.238 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 635' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.21 -14.38 33.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.41 1.069 . . . . 1.0 109.247 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 636' ' ' SER . . . . . 0.58 ' CB ' ' CG ' ' A' ' 639' ' ' GLU . 2.4 m -95.35 161.72 13.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 1.0 110.067 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 637' ' ' ASP . . . . . 0.554 ' N ' ' CD ' ' A' ' 638' ' ' PRO . 0.4 OUTLIER -92.26 -49.57 0.3 Allowed Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.46 1.1 . . . . 1.0 109.284 -179.941 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 638' ' ' PRO . . . . . 0.566 ' O ' ' C ' ' A' ' 639' ' ' GLU . 18.5 Cg_endo -74.99 -52.25 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.474 1.776 . . . . 1.0 111.029 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 639' ' ' GLU . . . . . 0.58 ' CG ' ' CB ' ' A' ' 636' ' ' SER . 20.3 mm-40 -23.66 -80.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 1.0 110.306 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 640' ' ' LEU . . . . . 0.52 ' CD1' ' CD1' ' A' ' 620' ' ' LEU . 0.2 OUTLIER -52.34 -47.57 65.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 1.0 109.243 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 641' ' ' VAL . . . . . 0.507 ' CG1' ' N ' ' A' ' 642' ' ' GLN . 0.8 OUTLIER -44.22 -57.52 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.164 . . . . 1.0 109.234 -179.943 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 642' ' ' GLN . . . . . 0.507 ' N ' ' CG1' ' A' ' 641' ' ' VAL . 0.1 OUTLIER -63.12 -40.95 99.08 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.403 1.064 . . . . 1.0 110.302 -179.94 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 643' ' ' TRP . . . . . 0.8 ' CZ3' ' HB2' ' A' ' 583' ' ' LEU . 24.1 m95 -54.62 -42.27 70.98 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 107.95 -1.13 . . . . 1.0 107.95 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 644' ' ' LYS . . . . . 0.607 ' CD ' ' CG2' ' A' ' 609' ' ' VAL . 0.0 OUTLIER -62.56 -55.94 22.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 1.0 109.273 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 11.3 tmtt? -44.12 -53.05 6.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.556 1.16 . . . . 1.0 109.278 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 646' ' ' GLU . . . . . 0.915 ' CG ' HG21 ' A' ' 560' ' ' ILE . 0.3 OUTLIER -68.38 -32.58 72.76 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.521 1.138 . . . . 1.0 110.294 -179.892 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 647' ' ' LEU . . . . . 0.668 ' CD2' HD13 ' A' ' 583' ' ' LEU . 1.7 mt -68.15 -61.77 1.7 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.503 1.127 . . . . 1.0 109.245 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 648' ' ' ARG . . . . . 0.474 ' HB3' ' CZ ' ' A' ' 648' ' ' ARG . 1.2 ttp-105 -39.28 -55.13 1.75 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.475 1.109 . . . . 1.0 110.234 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 649' ' ' ASP . . . . . 0.415 ' O ' ' N ' ' A' ' 653' ' ' GLU . 30.0 t0 -61.3 -49.66 76.14 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.484 1.115 . . . . 1.0 109.3 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 650' ' ' ALA . . . . . 0.464 ' O ' ' SD ' ' A' ' 603' ' ' MET . . . -46.45 -50.44 16.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.162 . . . . 1.0 109.267 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 651' ' ' TYR . . . . . 0.967 ' CD2' ' CG2' ' A' ' 606' ' ' ILE . 19.9 m-30 -71.81 -36.74 70.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.416 1.073 . . . . 1.0 111.027 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 652' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 655' ' ' GLN . 4.9 mmm180 -65.97 -66.34 0.56 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 1.0 110.288 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 653' ' ' GLU . . . . . 0.415 ' N ' ' O ' ' A' ' 649' ' ' ASP . 5.8 mt-10 -40.44 -55.01 2.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.434 1.084 . . . . 1.0 110.258 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -49.56 -41.65 42.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 1.0 109.311 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 655' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 652' ' ' ARG . 72.0 mt-30 . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 1.0 110.274 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 559' ' ' CYS . . . . . 0.685 ' SG ' ' CD1' ' A' ' 584' ' ' PHE . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 108.35 -0.982 . . . . 1.0 108.35 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 560' ' ' ILE . . . . . 0.709 HG23 ' CG ' ' A' ' 646' ' ' GLU . 19.3 mt -86.16 -56.8 4.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.546 1.153 . . . . 1.0 109.241 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 561' ' ' MET . . . . . 0.459 ' SD ' ' CD1' ' A' ' 643' ' ' TRP . 0.0 OUTLIER -144.77 138.17 26.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 1.0 110.992 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 562' ' ' HIS . . . . . . . . . . . . . 2.4 p80 -137.2 147.0 45.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 1.0 109.522 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 563' ' ' GLY . . . . . 0.476 ' N ' ' HZ2' ' A' ' 643' ' ' TRP . . . 174.59 -162.64 32.83 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.533 1.146 . . . . 1.0 110.991 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 564' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -103.71 124.23 48.48 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.537 0.786 . . . . 1.0 111.051 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 565' ' ' MET . . . . . 0.536 ' SD ' HD23 ' A' ' 640' ' ' LEU . 11.6 mtm -128.41 -171.27 2.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 1.0 111.021 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 566' ' ' SER . . . . . 0.584 ' OG ' ' CG ' ' A' ' 633' ' ' GLN . 0.9 OUTLIER -149.31 134.78 18.47 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.497 1.123 . . . . 1.0 110.028 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 567' ' ' LYS . . . . . 0.614 ' HE2' ' CD2' ' A' ' 630' ' ' PHE . 9.4 ttmt . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 1.0 109.281 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 578' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.268 -0.271 . . . . 1.0 110.268 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 579' ' ' ARG . . . . . 0.531 ' O ' ' O ' ' A' ' 565' ' ' MET . 11.4 mmm-85 -134.38 167.1 21.36 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.436 1.085 . . . . 1.0 110.312 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 580' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -85.97 130.93 34.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.45 1.094 . . . . 1.0 110.986 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 581' ' ' PHE . . . . . 0.511 ' O ' ' CD1' ' A' ' 582' ' ' TYR . 1.4 m-85 -114.4 172.79 6.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.349 1.03 . . . . 1.0 110.977 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 582' ' ' TYR . . . . . 0.574 ' O ' ' HA ' ' A' ' 588' ' ' LEU . 5.3 m-85 -157.72 103.72 1.92 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.512 1.133 . . . . 1.0 110.933 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 583' ' ' LEU . . . . . 0.66 HD11 ' HG ' ' A' ' 647' ' ' LEU . 1.4 tt -86.11 110.26 19.42 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.515 1.134 . . . . 1.0 109.348 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 584' ' ' PHE . . . . . 0.685 ' CD1' ' SG ' ' A' ' 559' ' ' CYS . 1.7 m-85 -102.14 174.28 2.98 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 1.0 111.002 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 585' ' ' PRO . . . . . 0.427 ' O ' ' CG ' ' A' ' 586' ' ' ASN . 18.0 Cg_endo -75.09 2.06 7.1 Favored 'Trans proline' 0 C--N 1.361 1.232 0 O-C-N 124.398 1.736 . . . . 1.0 110.983 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 586' ' ' ASN . . . . . 0.728 ' HA ' ' CG ' ' A' ' 603' ' ' MET . 68.3 m-80 -165.16 -41.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 1.0 109.31 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 587' ' ' ARG . . . . . 0.596 ' HA ' ' HA ' ' A' ' 602' ' ' THR . 0.1 OUTLIER -87.26 -174.81 5.03 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.494 1.122 . . . . 1.0 110.247 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 588' ' ' LEU . . . . . 0.574 ' HA ' ' O ' ' A' ' 582' ' ' TYR . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.406 1.066 . . . . 1.0 109.343 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.247 0 N-CA-C 109.273 -0.64 . . . . 1.0 109.273 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 602' ' ' THR . . . . . 0.596 ' HA ' ' HA ' ' A' ' 587' ' ' ARG . 0.0 OUTLIER -112.01 -162.59 0.8 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 1.0 110.456 179.925 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 603' ' ' MET . . . . . 0.728 ' CG ' ' HA ' ' A' ' 586' ' ' ASN . 0.0 OUTLIER -124.55 39.05 4.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 1.0 110.961 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 604' ' ' GLU . . . . . 0.419 ' HA ' ' HB2' ' A' ' 654' ' ' ALA . 6.4 pt-20 -125.84 57.95 1.35 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.51 1.131 . . . . 1.0 110.262 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 605' ' ' GLU . . . . . 0.519 ' O ' ' C ' ' A' ' 606' ' ' ILE . 3.4 pt-20 -158.91 -52.77 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 1.0 110.313 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 606' ' ' ILE . . . . . 0.857 ' CG2' ' CD2' ' A' ' 651' ' ' TYR . 1.0 OUTLIER -31.64 137.09 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 1.0 109.332 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 607' ' ' GLN . . . . . 0.58 ' HG2' ' CB ' ' A' ' 625' ' ' ARG . 0.0 OUTLIER -91.35 -36.32 13.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.43 1.082 . . . . 1.0 110.414 179.932 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 608' ' ' SER . . . . . 0.417 ' HB2' ' HD3' ' A' ' 623' ' ' LYS . 3.1 m -173.51 135.18 0.53 Allowed 'General case' 0 C--N 1.327 -0.383 0 O-C-N 124.45 1.093 . . . . 1.0 109.934 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 609' ' ' VAL . . . . . 0.575 HG21 ' CD ' ' A' ' 644' ' ' LYS . 6.7 p -104.86 127.42 59.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 1.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 610' ' ' GLU . . . . . 0.618 ' O ' ' N ' ' A' ' 621' ' ' LEU . 0.3 OUTLIER -150.77 175.43 12.0 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.394 1.059 . . . . 1.0 110.382 179.923 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 611' ' ' GLU . . . . . 0.442 ' HA ' ' H ' ' A' ' 621' ' ' LEU . 23.0 tt0 -137.98 138.26 38.74 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.495 1.122 . . . . 1.0 110.285 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 612' ' ' THR . . . . . 0.524 ' C ' ' HB3' ' A' ' 618' ' ' LYS . 0.1 OUTLIER -96.1 162.45 13.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.388 1.055 . . . . 1.0 110.382 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -130.1 153.86 48.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 1.0 110.297 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 614' ' ' ILE . . . . . 0.722 ' O ' ' CG2' ' A' ' 614' ' ' ILE . 0.5 OUTLIER -142.01 85.71 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.55 1.156 . . . . 1.0 109.269 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 615' ' ' LYS . . . . . 0.422 ' CB ' ' O ' ' A' ' 614' ' ' ILE . 10.4 ttpt 82.9 -35.06 0.08 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.542 1.151 . . . . 1.0 109.259 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 616' ' ' GLU . . . . . 0.418 ' H ' ' C ' ' A' ' 614' ' ' ILE . 2.7 tt0 -156.48 -48.0 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 1.0 110.324 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -156.67 143.15 18.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.093 . . . . 1.0 110.327 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 618' ' ' LYS . . . . . 0.524 ' HB3' ' C ' ' A' ' 612' ' ' THR . 9.5 tptt -119.96 -93.91 0.51 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.581 1.175 . . . . 1.0 109.354 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 619' ' ' CYS . . . . . 0.462 ' SG ' ' N ' ' A' ' 620' ' ' LEU . 42.0 t -159.26 161.75 36.01 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.521 1.138 . . . . 1.0 108.282 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 620' ' ' LEU . . . . . 0.601 ' CB ' HD13 ' A' ' 640' ' ' LEU . 0.3 OUTLIER -84.22 130.09 34.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.393 1.058 . . . . 1.0 109.317 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 621' ' ' LEU . . . . . 0.618 ' N ' ' O ' ' A' ' 610' ' ' GLU . 0.8 OUTLIER -92.86 157.07 16.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.459 1.099 . . . . 1.0 109.389 179.89 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 622' ' ' LEU . . . . . 0.636 ' CD2' HG12 ' A' ' 606' ' ' ILE . 0.3 OUTLIER -155.93 86.78 1.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 1.0 109.368 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 623' ' ' LYS . . . . . 0.417 ' HD3' ' HB2' ' A' ' 608' ' ' SER . 0.0 OUTLIER -87.91 138.87 31.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 1.0 109.322 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 624' ' ' ILE . . . . . 0.729 ' HA ' ' HA ' ' A' ' 606' ' ' ILE . 79.1 mt -105.01 145.38 13.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.445 1.091 . . . . 1.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 625' ' ' ARG . . . . . 0.58 ' CB ' ' HG2' ' A' ' 607' ' ' GLN . 4.9 ptm180 -77.36 2.52 15.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 1.0 110.306 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 626' ' ' GLY . . . . . 0.408 ' H ' ' CG2' ' A' ' 624' ' ' ILE . . . -91.45 -16.59 52.42 Favored Glycine 0 CA--C 1.532 1.13 0 O-C-N 124.537 1.148 . . . . 1.0 110.975 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 106.51 42.13 1.64 Allowed Glycine 0 CA--C 1.53 1.012 0 N-CA-C 110.935 -0.866 . . . . 1.0 110.935 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 628' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -149.8 122.27 8.51 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.557 0.798 . . . . 1.0 109.325 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -101.87 147.55 26.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.573 1.171 . . . . 1.0 110.335 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 630' ' ' PHE . . . . . 0.614 ' CD2' ' HE2' ' A' ' 567' ' ' LYS . 12.1 m-85 -135.34 149.73 49.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.583 1.177 . . . . 1.0 111.009 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 631' ' ' ILE . . . . . 0.565 ' CG2' ' O ' ' A' ' 631' ' ' ILE . 0.1 OUTLIER -132.28 106.27 10.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.5 1.125 . . . . 1.0 109.309 179.952 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 632' ' ' LEU . . . . . 0.488 ' N ' ' CD2' ' A' ' 632' ' ' LEU . 0.3 OUTLIER -114.13 143.69 44.38 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.441 1.088 . . . . 1.0 109.295 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 633' ' ' GLN . . . . . 0.584 ' CG ' ' OG ' ' A' ' 566' ' ' SER . 17.6 pt20 -122.85 178.52 5.0 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.46 1.1 . . . . 1.0 110.322 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 634' ' ' CYS . . . . . 0.501 ' SG ' ' HB2' ' A' ' 640' ' ' LEU . 23.9 p -152.6 165.33 35.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 1.0 108.289 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 635' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -99.05 -10.69 22.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.559 1.162 . . . . 1.0 109.274 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 636' ' ' SER . . . . . 0.519 ' CB ' ' HG3' ' A' ' 639' ' ' GLU . 0.4 OUTLIER -95.16 179.58 5.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.565 1.166 . . . . 1.0 110.026 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 637' ' ' ASP . . . . . 0.595 ' CB ' ' HD3' ' A' ' 638' ' ' PRO . 0.4 OUTLIER -106.12 -57.13 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 1.0 109.251 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 638' ' ' PRO . . . . . 0.595 ' HD3' ' CB ' ' A' ' 637' ' ' ASP . 18.4 Cg_endo -74.96 -40.83 0.79 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.562 1.822 . . . . 1.0 111.049 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 639' ' ' GLU . . . . . 0.55 ' C ' ' O ' ' A' ' 638' ' ' PRO . 10.8 mt-10 -25.79 -83.06 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.53 1.143 . . . . 1.0 110.326 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 640' ' ' LEU . . . . . 0.601 HD13 ' CB ' ' A' ' 620' ' ' LEU . 0.2 OUTLIER -48.41 -48.61 37.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 1.0 109.291 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 641' ' ' VAL . . . . . 0.436 ' CG1' ' N ' ' A' ' 642' ' ' GLN . 0.7 OUTLIER -43.08 -52.9 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 1.0 109.263 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 642' ' ' GLN . . . . . 0.436 ' N ' ' CG1' ' A' ' 641' ' ' VAL . 0.0 OUTLIER -68.17 -40.07 82.4 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.556 1.16 . . . . 1.0 110.33 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 643' ' ' TRP . . . . . 0.648 ' CZ3' ' CB ' ' A' ' 583' ' ' LEU . 45.7 m95 -58.47 -41.58 85.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.574 1.171 . . . . 1.0 108.018 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 644' ' ' LYS . . . . . 0.575 ' CD ' HG21 ' A' ' 609' ' ' VAL . 0.1 OUTLIER -62.22 -56.58 17.25 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 1.0 109.306 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 645' ' ' LYS . . . . . 0.442 ' CD ' ' OE1' ' A' ' 646' ' ' GLU . 2.6 tmtt? -41.63 -55.47 2.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 1.0 109.328 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 646' ' ' GLU . . . . . 0.709 ' CG ' HG23 ' A' ' 560' ' ' ILE . 0.3 OUTLIER -67.87 -34.61 77.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.571 1.169 . . . . 1.0 110.332 179.914 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 647' ' ' LEU . . . . . 0.66 ' HG ' HD11 ' A' ' 583' ' ' LEU . 6.8 mt -63.93 -63.68 1.09 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.507 1.129 . . . . 1.0 109.324 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 648' ' ' ARG . . . . . 0.526 ' HG3' ' CG1' ' A' ' 609' ' ' VAL . 6.3 ttm180 -38.94 -52.8 1.78 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 1.0 110.304 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 649' ' ' ASP . . . . . 0.41 ' O ' ' HB2' ' A' ' 653' ' ' GLU . 24.4 t70 -62.97 -40.18 96.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 1.0 109.258 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 650' ' ' ALA . . . . . 0.482 ' CA ' ' SD ' ' A' ' 603' ' ' MET . . . -54.23 -49.16 70.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 1.0 109.255 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 651' ' ' TYR . . . . . 0.857 ' CD2' ' CG2' ' A' ' 606' ' ' ILE . 3.6 m-30 -75.5 -39.56 58.37 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.524 1.14 . . . . 1.0 111.002 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 652' ' ' ARG . . . . . 0.512 ' O ' ' HB2' ' A' ' 655' ' ' GLN . 0.0 OUTLIER -62.52 -61.28 2.54 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.597 1.186 . . . . 1.0 110.37 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 653' ' ' GLU . . . . . 0.41 ' HB2' ' O ' ' A' ' 649' ' ' ASP . 28.6 mt-10 -46.55 -57.25 4.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 1.0 110.269 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 654' ' ' ALA . . . . . 0.419 ' HB2' ' HA ' ' A' ' 604' ' ' GLU . . . -44.98 -37.38 3.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.569 1.168 . . . . 1.0 109.218 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 655' ' ' GLN . . . . . 0.512 ' HB2' ' O ' ' A' ' 652' ' ' ARG . 57.7 mt-30 . . . . . 0 C--N 1.324 -0.534 0 O-C-N 124.578 1.174 . . . . 1.0 110.27 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 559' ' ' CYS . . . . . 0.418 ' SG ' ' O ' ' A' ' 583' ' ' LEU . 40.1 t . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 108.306 -0.998 . . . . 1.0 108.306 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 560' ' ' ILE . . . . . 0.649 HG23 ' CG ' ' A' ' 646' ' ' GLU . 12.1 mt -84.04 -62.18 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.425 1.078 . . . . 1.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 561' ' ' MET . . . . . 0.49 ' SD ' ' NE1' ' A' ' 643' ' ' TRP . 0.0 OUTLIER -131.12 135.96 47.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.551 1.157 . . . . 1.0 110.951 -179.905 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 562' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -135.74 142.91 45.06 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.498 1.124 . . . . 1.0 109.523 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 563' ' ' GLY . . . . . 0.516 ' O ' ' CD1' ' A' ' 580' ' ' TYR . . . 167.53 -161.9 35.69 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.492 1.12 . . . . 1.0 111.05 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 564' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -93.37 127.03 38.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.457 0.74 . . . . 1.0 111.002 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 565' ' ' MET . . . . . 0.497 ' O ' ' O ' ' A' ' 579' ' ' ARG . 0.0 OUTLIER -137.57 124.15 20.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.533 1.146 . . . . 1.0 110.969 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 566' ' ' SER . . . . . 0.474 ' O ' ' N ' ' A' ' 633' ' ' GLN . 0.5 OUTLIER -100.79 100.12 10.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 1.0 110.008 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 567' ' ' LYS . . . . . 0.596 ' NZ ' ' CD2' ' A' ' 630' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 1.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 578' ' ' ARG . . . . . 0.43 ' HA ' ' HB2' ' A' ' 566' ' ' SER . 5.5 mtt180 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.26 -0.274 . . . . 1.0 110.26 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 579' ' ' ARG . . . . . 0.497 ' O ' ' O ' ' A' ' 565' ' ' MET . 1.1 mtt180 -134.31 160.56 37.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 1.0 110.296 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 580' ' ' TYR . . . . . 0.516 ' CD1' ' O ' ' A' ' 563' ' ' GLY . 0.8 OUTLIER -89.57 125.74 35.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 1.0 111.078 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 581' ' ' PHE . . . . . 0.49 ' CE1' ' O ' ' A' ' 565' ' ' MET . 16.8 m-85 -114.13 171.17 7.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.408 1.067 . . . . 1.0 110.919 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 582' ' ' TYR . . . . . 0.467 ' CA ' ' HH2' ' A' ' 643' ' ' TRP . 41.1 m-85 -143.83 118.96 10.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 1.0 111.06 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 583' ' ' LEU . . . . . 0.778 ' HB2' ' CZ3' ' A' ' 643' ' ' TRP . 6.3 tp -88.84 109.82 20.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 1.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 584' ' ' PHE . . . . . 0.548 ' O ' HD13 ' A' ' 560' ' ' ILE . 0.6 OUTLIER -100.24 174.76 2.77 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.443 1.089 . . . . 1.0 111.019 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 585' ' ' PRO . . . . . 0.578 ' O ' ' HE3' ' A' ' 603' ' ' MET . 18.1 Cg_endo -75.07 9.97 1.88 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.486 1.782 . . . . 1.0 110.968 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 586' ' ' ASN . . . . . 0.717 ' HA ' ' CG ' ' A' ' 603' ' ' MET . 6.9 m-20 179.17 -38.99 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 1.0 109.314 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 587' ' ' ARG . . . . . 0.568 ' HA ' ' HA ' ' A' ' 602' ' ' THR . 0.5 OUTLIER -87.52 -170.49 3.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 1.0 110.278 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 588' ' ' LEU . . . . . 0.44 ' HA ' ' O ' ' A' ' 582' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.43 1.081 . . . . 1.0 109.232 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 109.302 -0.629 . . . . 1.0 109.302 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 602' ' ' THR . . . . . 0.568 ' HA ' ' HA ' ' A' ' 587' ' ' ARG . 0.1 OUTLIER -118.93 -170.85 1.99 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 1.0 110.463 179.933 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 603' ' ' MET . . . . . 0.717 ' CG ' ' HA ' ' A' ' 586' ' ' ASN . 0.2 OUTLIER -125.96 37.36 4.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 1.0 110.961 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 604' ' ' GLU . . . . . 0.512 ' HA ' ' HB2' ' A' ' 654' ' ' ALA . 8.1 pt-20 -124.59 59.64 1.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.568 1.168 . . . . 1.0 110.312 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 605' ' ' GLU . . . . . 0.459 ' O ' ' CG ' ' A' ' 625' ' ' ARG . 2.5 pt-20 -158.9 -48.9 0.06 Allowed 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.499 1.125 . . . . 1.0 110.37 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 606' ' ' ILE . . . . . 0.991 ' CG2' ' CD2' ' A' ' 651' ' ' TYR . 0.9 OUTLIER -39.7 140.6 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.564 1.165 . . . . 1.0 109.323 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 607' ' ' GLN . . . . . 0.602 ' HG2' ' CB ' ' A' ' 625' ' ' ARG . 0.5 OUTLIER -91.01 -38.79 12.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 1.0 110.346 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 608' ' ' SER . . . . . 0.43 ' HB2' ' HD3' ' A' ' 623' ' ' LYS . 1.1 m -175.1 132.96 0.31 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 1.0 109.969 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 609' ' ' VAL . . . . . 0.502 ' CG2' ' CD ' ' A' ' 644' ' ' LYS . 6.3 p -104.47 139.7 24.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.486 1.116 . . . . 1.0 109.349 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 610' ' ' GLU . . . . . 0.552 ' CD ' ' CD2' ' A' ' 621' ' ' LEU . 0.7 OUTLIER -159.43 -171.87 3.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.115 . . . . 1.0 110.236 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 611' ' ' GLU . . . . . 0.604 ' HA ' ' HA ' ' A' ' 620' ' ' LEU . 25.2 tt0 -138.75 143.73 39.14 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.488 1.118 . . . . 1.0 110.283 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 612' ' ' THR . . . . . 0.569 ' C ' ' HB3' ' A' ' 618' ' ' LYS . 0.0 OUTLIER -107.31 165.26 11.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 1.0 110.364 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -129.58 159.17 37.18 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.394 1.058 . . . . 1.0 110.314 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 614' ' ' ILE . . . . . 0.688 ' O ' ' CG2' ' A' ' 614' ' ' ILE . 0.1 OUTLIER -145.97 84.19 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 1.0 109.288 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 615' ' ' LYS . . . . . 0.417 ' HB2' ' O ' ' A' ' 614' ' ' ILE . 35.5 mmtt 81.8 -33.59 0.1 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.498 1.124 . . . . 1.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 616' ' ' GLU . . . . . 0.431 ' H ' ' C ' ' A' ' 614' ' ' ILE . 2.3 tt0 -156.0 -48.63 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.159 . . . . 1.0 110.311 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -157.5 137.74 12.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 1.0 110.276 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 618' ' ' LYS . . . . . 0.569 ' HB3' ' C ' ' A' ' 612' ' ' THR . 0.4 OUTLIER -115.09 -95.98 0.46 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 1.0 109.266 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 619' ' ' CYS . . . . . 0.501 ' O ' ' CG ' ' A' ' 611' ' ' GLU . 17.2 m -158.39 -175.97 5.63 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.547 1.154 . . . . 1.0 108.289 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 620' ' ' LEU . . . . . 0.604 ' HA ' ' HA ' ' A' ' 611' ' ' GLU . 0.2 OUTLIER -101.61 130.12 47.87 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.323 1.015 . . . . 1.0 109.248 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 621' ' ' LEU . . . . . 0.552 ' CD2' ' CD ' ' A' ' 610' ' ' GLU . 2.8 tp -86.13 161.0 19.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.095 . . . . 1.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 622' ' ' LEU . . . . . 0.596 ' CD2' HG12 ' A' ' 606' ' ' ILE . 0.9 OUTLIER -158.98 83.05 0.79 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 1.0 109.28 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 623' ' ' LYS . . . . . 0.43 ' HD3' ' HB2' ' A' ' 608' ' ' SER . 0.0 OUTLIER -85.78 140.11 30.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 1.0 109.242 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 624' ' ' ILE . . . . . 0.745 ' HA ' ' HA ' ' A' ' 606' ' ' ILE . 92.1 mt -105.53 145.13 14.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.088 . . . . 1.0 109.343 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 625' ' ' ARG . . . . . 0.602 ' CB ' ' HG2' ' A' ' 607' ' ' GLN . 3.1 ptm180 -78.37 3.02 16.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 1.0 110.263 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 626' ' ' GLY . . . . . 0.421 ' H ' ' CG2' ' A' ' 624' ' ' ILE . . . -90.23 -13.43 60.27 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.534 1.146 . . . . 1.0 111.027 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 106.69 43.21 1.46 Allowed Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.999 -0.84 . . . . 1.0 110.999 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 628' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -147.45 164.37 33.57 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 0.788 . . . . 1.0 109.247 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 63.5 mt-30 -135.0 147.44 49.7 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.554 1.159 . . . . 1.0 110.34 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 630' ' ' PHE . . . . . 0.596 ' CD2' ' NZ ' ' A' ' 567' ' ' LYS . 1.3 m-85 -136.04 161.94 34.29 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.546 1.154 . . . . 1.0 110.964 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 631' ' ' ILE . . . . . . . . . . . . . 2.2 mm -134.01 140.03 47.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 O-C-N 124.612 1.195 . . . . 1.0 109.344 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 632' ' ' LEU . . . . . 0.548 HD12 ' CD1' ' A' ' 622' ' ' LEU . 0.4 OUTLIER -124.29 157.38 35.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 1.0 109.313 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 633' ' ' GLN . . . . . 0.474 ' N ' ' O ' ' A' ' 566' ' ' SER . 30.3 tp60 -155.82 140.17 16.7 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 1.0 110.303 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 634' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -149.35 169.25 21.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 1.0 108.213 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 635' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -94.66 -18.67 21.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.568 1.167 . . . . 1.0 109.283 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 636' ' ' SER . . . . . 0.575 ' CB ' ' CG ' ' A' ' 639' ' ' GLU . 0.6 OUTLIER -87.74 139.97 29.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.602 1.189 . . . . 1.0 110.018 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 637' ' ' ASP . . . . . 0.63 ' N ' ' CD ' ' A' ' 638' ' ' PRO . 0.2 OUTLIER -79.94 -44.55 1.5 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.15 . . . . 1.0 109.179 -179.918 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 638' ' ' PRO . . . . . 0.63 ' CD ' ' N ' ' A' ' 637' ' ' ASP . 18.4 Cg_endo -74.99 -52.35 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.392 1.733 . . . . 1.0 111.044 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 639' ' ' GLU . . . . . 0.575 ' CG ' ' CB ' ' A' ' 636' ' ' SER . 32.9 mm-40 -26.02 -76.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 1.0 110.232 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 640' ' ' LEU . . . . . 0.553 ' CD1' ' CD1' ' A' ' 620' ' ' LEU . 0.3 OUTLIER -53.4 -48.33 68.77 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.41 1.069 . . . . 1.0 109.283 -179.897 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 641' ' ' VAL . . . . . 0.495 ' CG1' ' N ' ' A' ' 642' ' ' GLN . 0.7 OUTLIER -45.39 -56.67 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 124.426 1.079 . . . . 1.0 109.296 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 642' ' ' GLN . . . . . 0.495 ' N ' ' CG1' ' A' ' 641' ' ' VAL . 0.0 OUTLIER -64.34 -40.23 95.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 1.0 110.302 -179.921 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 643' ' ' TRP . . . . . 0.778 ' CZ3' ' HB2' ' A' ' 583' ' ' LEU . 18.7 m95 -56.33 -48.03 77.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 1.0 108.029 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 644' ' ' LYS . . . . . 0.568 ' HA ' ' HB2' ' A' ' 647' ' ' LEU . 0.0 OUTLIER -57.72 -57.68 11.68 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.478 1.111 . . . . 1.0 109.299 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 645' ' ' LYS . . . . . 0.404 ' CD ' ' OE1' ' A' ' 646' ' ' GLU . 0.0 OUTLIER -41.38 -54.88 2.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.653 1.221 . . . . 1.0 109.344 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 646' ' ' GLU . . . . . 0.649 ' CG ' HG23 ' A' ' 560' ' ' ILE . 0.1 OUTLIER -70.35 -30.13 66.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 1.0 110.322 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 647' ' ' LEU . . . . . 0.609 ' HG ' ' CD1' ' A' ' 583' ' ' LEU . 0.7 OUTLIER -70.0 -62.93 1.19 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.543 1.152 . . . . 1.0 109.316 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 648' ' ' ARG . . . . . 0.555 ' N ' ' O ' ' A' ' 644' ' ' LYS . 4.9 ttt85 -39.12 -54.6 1.73 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 1.0 110.243 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 649' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -61.52 -47.89 83.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 1.0 109.362 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 650' ' ' ALA . . . . . 0.533 ' CB ' ' SD ' ' A' ' 603' ' ' MET . . . -46.97 -47.24 21.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 1.0 109.354 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 651' ' ' TYR . . . . . 0.991 ' CD2' ' CG2' ' A' ' 606' ' ' ILE . 22.2 m-30 -76.42 -39.04 54.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.441 1.088 . . . . 1.0 110.985 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 652' ' ' ARG . . . . . 0.497 ' O ' ' HB2' ' A' ' 655' ' ' GLN . 2.8 mtt180 -62.97 -61.11 2.62 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.578 1.174 . . . . 1.0 110.306 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 653' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -47.68 -57.67 5.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.572 1.17 . . . . 1.0 110.324 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 654' ' ' ALA . . . . . 0.512 ' HB2' ' HA ' ' A' ' 604' ' ' GLU . . . -44.45 -37.59 3.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.426 1.079 . . . . 1.0 109.311 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 655' ' ' GLN . . . . . 0.497 ' HB2' ' O ' ' A' ' 652' ' ' ARG . 52.1 mt-30 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.434 1.084 . . . . 1.0 110.297 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 559' ' ' CYS . . . . . . . . . . . . . 36.5 t . . . . . 0 N--CA 1.454 -0.254 0 N-CA-C 108.297 -1.001 . . . . 1.0 108.297 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 560' ' ' ILE . . . . . 0.721 ' HB ' ' CD2' ' A' ' 583' ' ' LEU . 10.6 mt -85.75 -61.11 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.607 1.192 . . . . 1.0 109.242 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 561' ' ' MET . . . . . 0.452 ' SD ' ' CD1' ' A' ' 643' ' ' TRP . 0.0 OUTLIER -139.65 137.01 34.91 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.598 1.186 . . . . 1.0 110.989 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 562' ' ' HIS . . . . . 0.478 ' HB2' ' CE1' ' A' ' 582' ' ' TYR . 9.6 p-80 -140.65 162.03 36.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 1.0 109.551 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 563' ' ' GLY . . . . . 0.541 ' HA2' ' CZ ' ' A' ' 580' ' ' TYR . . . 146.97 -159.78 28.1 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.427 1.08 . . . . 1.0 111.104 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 564' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -85.3 126.51 33.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 0.779 . . . . 1.0 111.08 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 565' ' ' MET . . . . . 0.641 ' O ' ' O ' ' A' ' 579' ' ' ARG . 0.0 OUTLIER -140.88 122.12 14.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 1.0 111.025 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 566' ' ' SER . . . . . 0.437 ' HB2' ' HA ' ' A' ' 578' ' ' ARG . 0.9 OUTLIER -85.26 130.67 34.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 1.0 110.03 -179.949 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 567' ' ' LYS . . . . . 0.553 ' HE2' ' CZ ' ' A' ' 581' ' ' PHE . 7.3 ttpt . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 1.0 109.326 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 578' ' ' ARG . . . . . 0.437 ' HA ' ' HB2' ' A' ' 566' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.322 -0.251 . . . . 1.0 110.322 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 579' ' ' ARG . . . . . 0.641 ' O ' ' O ' ' A' ' 565' ' ' MET . 16.1 mtp180 -141.77 165.64 26.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.341 1.025 . . . . 1.0 110.255 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 580' ' ' TYR . . . . . 0.541 ' CZ ' ' HA2' ' A' ' 563' ' ' GLY . 1.0 OUTLIER -96.45 126.03 41.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.409 1.068 . . . . 1.0 111.035 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 581' ' ' PHE . . . . . 0.553 ' CZ ' ' HE2' ' A' ' 567' ' ' LYS . 10.8 m-85 -118.64 176.39 5.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.15 . . . . 1.0 110.985 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 582' ' ' TYR . . . . . 0.478 ' CE1' ' HB2' ' A' ' 562' ' ' HIS . 0.4 OUTLIER -150.56 107.89 3.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 1.0 111.039 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 583' ' ' LEU . . . . . 0.721 ' CD2' ' HB ' ' A' ' 560' ' ' ILE . 0.4 OUTLIER -87.88 113.7 23.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 1.0 109.282 -179.928 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 584' ' ' PHE . . . . . 0.672 ' CD2' ' HD2' ' A' ' 585' ' ' PRO . 0.1 OUTLIER -94.98 -177.02 0.61 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.425 1.078 . . . . 1.0 111.031 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 585' ' ' PRO . . . . . 0.672 ' HD2' ' CD2' ' A' ' 584' ' ' PHE . 18.2 Cg_endo -74.95 14.55 0.83 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.509 1.794 . . . . 1.0 111.077 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 586' ' ' ASN . . . . . 1.044 ' O ' ' HG3' ' A' ' 603' ' ' MET . 19.2 m-20 171.95 -44.97 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.442 1.089 . . . . 1.0 109.361 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 587' ' ' ARG . . . . . 0.63 ' O ' ' HB2' ' A' ' 584' ' ' PHE . 0.0 OUTLIER -93.41 -173.19 3.14 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.483 1.114 . . . . 1.0 110.295 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 588' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 1.0 109.303 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 4.1 mt . . . . . 0 N--CA 1.454 -0.24 0 N-CA-C 109.219 -0.66 . . . . 1.0 109.219 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 602' ' ' THR . . . . . 0.462 ' HA ' ' HA ' ' A' ' 587' ' ' ARG . 0.2 OUTLIER -117.89 -147.93 0.42 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 1.0 110.461 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 603' ' ' MET . . . . . 1.044 ' HG3' ' O ' ' A' ' 586' ' ' ASN . 0.0 OUTLIER -135.99 41.7 2.65 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.545 1.153 . . . . 1.0 110.999 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 604' ' ' GLU . . . . . 0.406 ' O ' ' HG3' ' A' ' 604' ' ' GLU . 14.2 pt-20 -124.8 55.84 1.33 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.542 1.151 . . . . 1.0 110.382 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 605' ' ' GLU . . . . . 0.466 ' HB2' ' CG2' ' A' ' 624' ' ' ILE . 3.2 pt-20 -158.22 -55.62 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 1.0 110.29 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 606' ' ' ILE . . . . . 0.847 ' CG2' ' CD2' ' A' ' 651' ' ' TYR . 1.3 mp -35.82 130.38 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.426 1.079 . . . . 1.0 109.309 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 607' ' ' GLN . . . . . 0.551 ' CG ' ' CB ' ' A' ' 625' ' ' ARG . 0.0 OUTLIER -87.64 -36.07 17.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 1.0 110.391 179.91 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 2.7 m -173.29 139.27 0.77 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.563 1.164 . . . . 1.0 110.023 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 609' ' ' VAL . . . . . 0.552 ' CG2' ' CD ' ' A' ' 644' ' ' LYS . 2.7 p -108.75 135.55 47.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.454 1.096 . . . . 1.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 610' ' ' GLU . . . . . 0.518 ' HG3' ' CD2' ' A' ' 621' ' ' LEU . 0.5 OUTLIER -152.54 -170.17 3.56 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.48 1.112 . . . . 1.0 110.301 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 611' ' ' GLU . . . . . 0.467 ' HA ' ' HA ' ' A' ' 620' ' ' LEU . 22.2 tt0 -141.01 144.67 35.15 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.498 1.123 . . . . 1.0 110.291 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 612' ' ' THR . . . . . 0.6 ' C ' ' HB3' ' A' ' 618' ' ' LYS . 0.0 OUTLIER -108.21 165.44 11.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 1.0 110.394 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 7.6 mp0 -128.32 160.22 32.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 1.0 110.323 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 614' ' ' ILE . . . . . 0.741 ' O ' ' CG2' ' A' ' 614' ' ' ILE . 0.1 OUTLIER -144.57 81.37 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.574 1.172 . . . . 1.0 109.24 -179.921 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 615' ' ' LYS . . . . . 0.447 ' HB2' ' O ' ' A' ' 614' ' ' ILE . 7.1 mmtt 80.76 -30.23 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 1.0 109.374 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 616' ' ' GLU . . . . . 0.453 ' H ' ' C ' ' A' ' 614' ' ' ILE . 1.0 OUTLIER -157.12 -48.83 0.07 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.502 1.126 . . . . 1.0 110.257 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 617' ' ' ARG . . . . . 0.446 ' NH2' ' OD1' ' A' ' 637' ' ' ASP . 0.0 OUTLIER -157.97 136.76 11.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.115 . . . . 1.0 110.335 179.945 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 618' ' ' LYS . . . . . 0.604 ' CG ' HD11 ' A' ' 614' ' ' ILE . 11.0 tptt -113.72 -98.96 0.43 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.577 1.173 . . . . 1.0 109.325 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 619' ' ' CYS . . . . . 0.506 ' SG ' ' O ' ' A' ' 618' ' ' LYS . 96.3 m -156.04 -176.78 6.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.443 1.089 . . . . 1.0 108.227 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 620' ' ' LEU . . . . . 0.578 ' CD1' ' CD1' ' A' ' 640' ' ' LEU . 0.3 OUTLIER -97.24 135.47 39.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.152 . . . . 1.0 109.306 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 621' ' ' LEU . . . . . 0.518 ' CD2' ' HG3' ' A' ' 610' ' ' GLU . 2.3 tp -93.98 160.17 14.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.408 1.067 . . . . 1.0 109.17 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 622' ' ' LEU . . . . . 0.512 HD22 ' OH ' ' A' ' 651' ' ' TYR . 0.0 OUTLIER -158.03 79.92 0.84 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.396 1.06 . . . . 1.0 109.277 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 623' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.82 138.07 37.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 1.0 109.212 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 624' ' ' ILE . . . . . 0.737 ' HA ' ' HA ' ' A' ' 606' ' ' ILE . 45.3 mt -104.22 144.17 14.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 1.0 109.312 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 625' ' ' ARG . . . . . 0.551 ' CB ' ' CG ' ' A' ' 607' ' ' GLN . 4.1 ptm180 -79.07 3.56 17.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 1.0 110.221 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 626' ' ' GLY . . . . . 0.427 ' H ' ' CG2' ' A' ' 624' ' ' ILE . . . -88.98 -19.54 50.55 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.457 1.098 . . . . 1.0 111.039 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 115.02 38.62 1.02 Allowed Glycine 0 CA--C 1.53 0.993 0 N-CA-C 111.024 -0.831 . . . . 1.0 111.024 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 628' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -142.94 170.9 14.83 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 0.772 . . . . 1.0 109.25 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -142.89 136.48 28.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 1.0 110.322 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 630' ' ' PHE . . . . . 0.448 ' O ' ' N ' ' A' ' 622' ' ' LEU . 0.4 OUTLIER -122.49 148.37 45.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.147 . . . . 1.0 110.992 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 631' ' ' ILE . . . . . 0.428 ' O ' ' CG2' ' A' ' 631' ' ' ILE . 0.0 OUTLIER -134.8 111.02 13.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 1.0 109.363 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 632' ' ' LEU . . . . . 0.608 ' N ' ' CD2' ' A' ' 632' ' ' LEU . 0.2 OUTLIER -121.41 157.96 29.37 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.495 1.122 . . . . 1.0 109.316 -179.945 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 633' ' ' GLN . . . . . 0.533 ' HG3' ' N ' ' A' ' 634' ' ' CYS . 25.3 tp60 -149.47 162.11 40.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 1.0 110.302 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 634' ' ' CYS . . . . . 0.533 ' N ' ' HG3' ' A' ' 633' ' ' GLN . 0.8 OUTLIER -143.04 144.34 32.24 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 1.0 108.316 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 635' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.49 -21.22 66.61 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.541 1.151 . . . . 1.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 636' ' ' SER . . . . . 0.519 ' HB2' ' CB ' ' A' ' 639' ' ' GLU . 4.1 m -89.62 160.09 16.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.091 . . . . 1.0 110.024 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 637' ' ' ASP . . . . . 0.626 ' N ' ' CD ' ' A' ' 638' ' ' PRO . 0.2 OUTLIER -89.54 -44.93 0.42 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 1.0 109.298 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 638' ' ' PRO . . . . . 0.626 ' CD ' ' N ' ' A' ' 637' ' ' ASP . 18.4 Cg_endo -74.98 -56.23 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.428 1.752 . . . . 1.0 111.022 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 639' ' ' GLU . . . . . 0.595 ' C ' ' O ' ' A' ' 638' ' ' PRO . 4.7 tt0 -20.7 -82.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.596 1.185 . . . . 1.0 110.342 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 640' ' ' LEU . . . . . 0.578 ' CD1' ' CD1' ' A' ' 620' ' ' LEU . 0.1 OUTLIER -49.74 -48.49 50.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.156 . . . . 1.0 109.275 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 641' ' ' VAL . . . . . 0.547 ' N ' ' O ' ' A' ' 638' ' ' PRO . 0.8 OUTLIER -45.19 -55.59 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 1.0 109.345 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 642' ' ' GLN . . . . . 0.474 ' N ' ' CG1' ' A' ' 641' ' ' VAL . 0.0 OUTLIER -63.79 -40.41 96.59 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.486 1.117 . . . . 1.0 110.282 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 643' ' ' TRP . . . . . 0.544 ' CZ3' ' CB ' ' A' ' 583' ' ' LEU . 34.8 m95 -55.76 -44.28 77.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 1.0 107.934 -179.858 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 644' ' ' LYS . . . . . 0.624 ' HA ' ' HB2' ' A' ' 647' ' ' LEU . 12.5 ttpt -61.28 -60.91 3.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.563 1.164 . . . . 1.0 109.355 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 645' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 644' ' ' LYS . 0.0 OUTLIER -38.38 -53.46 1.51 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 1.0 109.312 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 646' ' ' GLU . . . . . 0.557 ' CB ' HD12 ' A' ' 583' ' ' LEU . 0.4 OUTLIER -72.46 -30.53 64.64 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.426 1.079 . . . . 1.0 110.238 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 647' ' ' LEU . . . . . 0.624 ' HB2' ' HA ' ' A' ' 644' ' ' LYS . 11.4 mt -70.52 -60.16 2.42 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.459 1.099 . . . . 1.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 648' ' ' ARG . . . . . 0.569 ' N ' ' O ' ' A' ' 644' ' ' LYS . 11.1 ttm180 -40.81 -55.06 2.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 1.0 110.355 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 649' ' ' ASP . . . . . 0.415 ' OD1' ' CD ' ' A' ' 653' ' ' GLU . 33.7 t0 -57.71 -46.48 84.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.46 1.1 . . . . 1.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 650' ' ' ALA . . . . . 0.519 ' O ' ' SD ' ' A' ' 603' ' ' MET . . . -48.89 -50.36 35.36 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.512 1.133 . . . . 1.0 109.234 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 651' ' ' TYR . . . . . 0.847 ' CD2' ' CG2' ' A' ' 606' ' ' ILE . 2.7 m-30 -72.36 -37.21 68.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 1.0 110.954 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 652' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 655' ' ' GLN . 17.3 mtt180 -64.02 -64.99 0.74 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.417 1.073 . . . . 1.0 110.255 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 653' ' ' GLU . . . . . 0.415 ' CD ' ' OD1' ' A' ' 649' ' ' ASP . 0.1 OUTLIER -41.16 -55.45 2.63 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.456 1.098 . . . . 1.0 110.284 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 654' ' ' ALA . . . . . 0.489 ' HB1' ' O ' ' A' ' 603' ' ' MET . . . -47.82 -39.88 19.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 1.0 109.255 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 655' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 652' ' ' ARG . 91.2 mt-30 . . . . . 0 C--N 1.324 -0.526 0 O-C-N 124.496 1.122 . . . . 1.0 110.249 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 559' ' ' CYS . . . . . 0.495 ' SG ' ' CD2' ' A' ' 582' ' ' TYR . 42.4 t . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 108.245 -1.02 . . . . 1.0 108.245 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 560' ' ' ILE . . . . . 0.611 HD13 ' C ' ' A' ' 584' ' ' PHE . 10.7 mt -92.5 -58.03 3.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 1.0 109.309 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 561' ' ' MET . . . . . 0.55 ' CG ' ' OE1' ' A' ' 646' ' ' GLU . 0.0 OUTLIER -117.29 142.61 46.86 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.503 1.127 . . . . 1.0 110.992 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 562' ' ' HIS . . . . . . . . . . . . . 13.7 p-80 -146.02 163.13 36.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 1.0 109.581 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 563' ' ' GLY . . . . . 0.435 ' O ' ' CD1' ' A' ' 580' ' ' TYR . . . 128.7 -159.5 22.11 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.493 1.121 . . . . 1.0 110.981 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 564' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -91.34 127.69 36.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 0.792 . . . . 1.0 110.966 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 565' ' ' MET . . . . . 0.612 ' O ' ' O ' ' A' ' 579' ' ' ARG . 0.0 OUTLIER -143.29 125.86 15.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 1.0 111.083 179.939 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 566' ' ' SER . . . . . 0.54 ' OG ' ' O ' ' A' ' 633' ' ' GLN . 0.1 OUTLIER -100.3 142.99 31.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.123 . . . . 1.0 110.012 -179.944 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 567' ' ' LYS . . . . . 0.519 ' HG2' ' O ' ' A' ' 631' ' ' ILE . 0.6 OUTLIER . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.377 1.048 . . . . 1.0 109.242 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 578' ' ' ARG . . . . . 0.503 ' HA ' ' HB2' ' A' ' 566' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.341 -0.244 . . . . 1.0 110.341 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 579' ' ' ARG . . . . . 0.612 ' O ' ' O ' ' A' ' 565' ' ' MET . 0.7 OUTLIER -136.26 161.94 34.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.393 1.058 . . . . 1.0 110.35 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 580' ' ' TYR . . . . . 0.435 ' CD1' ' O ' ' A' ' 563' ' ' GLY . 0.3 OUTLIER -88.71 131.78 34.87 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.471 1.107 . . . . 1.0 111.065 179.94 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 581' ' ' PHE . . . . . 0.495 ' CG ' ' HE2' ' A' ' 565' ' ' MET . 2.5 m-85 -124.09 160.09 28.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.425 1.078 . . . . 1.0 111.019 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 582' ' ' TYR . . . . . 0.495 ' CD2' ' SG ' ' A' ' 559' ' ' CYS . 0.1 OUTLIER -138.97 115.45 10.52 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.614 1.196 . . . . 1.0 110.993 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 583' ' ' LEU . . . . . 0.754 ' HB2' ' CZ3' ' A' ' 643' ' ' TRP . 7.9 tp -88.93 110.38 21.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 1.0 109.262 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 584' ' ' PHE . . . . . 0.616 ' HB2' ' C ' ' A' ' 587' ' ' ARG . 6.7 m-85 -96.43 171.7 5.93 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.439 1.087 . . . . 1.0 110.959 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 585' ' ' PRO . . . . . 0.446 ' HD2' ' HB3' ' A' ' 584' ' ' PHE . 18.3 Cg_endo -75.02 7.32 2.92 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.509 1.794 . . . . 1.0 111.016 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 586' ' ' ASN . . . . . 0.713 ' HA ' ' CG ' ' A' ' 603' ' ' MET . 37.2 m-20 -174.29 -38.45 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 1.0 109.349 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 587' ' ' ARG . . . . . 0.644 ' HA ' ' HA ' ' A' ' 602' ' ' THR . 0.8 OUTLIER -91.07 -162.64 0.93 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 1.0 110.236 -179.942 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 588' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 1.0 109.321 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 1.5 mm? . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.239 -0.652 . . . . 1.0 109.239 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 602' ' ' THR . . . . . 0.644 ' HA ' ' HA ' ' A' ' 587' ' ' ARG . 0.0 OUTLIER -116.28 -166.33 1.14 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.416 1.072 . . . . 1.0 110.444 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 603' ' ' MET . . . . . 0.713 ' CG ' ' HA ' ' A' ' 586' ' ' ASN . 0.1 OUTLIER -127.0 38.54 4.08 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.543 1.152 . . . . 1.0 111.043 -179.934 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 604' ' ' GLU . . . . . 0.449 ' HA ' ' HB2' ' A' ' 654' ' ' ALA . 9.7 pt-20 -126.72 59.56 1.37 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.425 1.078 . . . . 1.0 110.348 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 605' ' ' GLU . . . . . 0.477 ' O ' ' C ' ' A' ' 606' ' ' ILE . 3.5 pt-20 -159.01 -57.17 0.07 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.144 . . . . 1.0 110.306 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 606' ' ' ILE . . . . . 0.994 ' CG2' ' CD2' ' A' ' 651' ' ' TYR . 1.2 mp -34.58 136.49 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 1.0 109.317 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 607' ' ' GLN . . . . . 0.519 ' HG3' ' HA ' ' A' ' 625' ' ' ARG . 0.0 OUTLIER -88.84 -37.94 14.98 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.57 1.169 . . . . 1.0 110.296 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 1.9 m -175.1 134.81 0.34 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 1.0 110.063 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 609' ' ' VAL . . . . . 0.525 ' CG2' ' HD3' ' A' ' 644' ' ' LYS . 3.9 p -107.6 141.68 22.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.097 . . . . 1.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 610' ' ' GLU . . . . . 0.5 ' HG3' ' CD2' ' A' ' 621' ' ' LEU . 0.3 OUTLIER -157.77 -167.29 2.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 1.0 110.297 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 611' ' ' GLU . . . . . 0.62 ' HA ' ' HA ' ' A' ' 620' ' ' LEU . 28.6 tt0 -138.28 147.12 43.28 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.489 1.118 . . . . 1.0 110.294 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 612' ' ' THR . . . . . 0.497 ' C ' ' HB3' ' A' ' 618' ' ' LYS . 0.0 OUTLIER -112.27 163.09 14.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.415 1.072 . . . . 1.0 110.419 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 5.9 mp0 -127.42 163.79 23.27 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 1.0 110.322 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 614' ' ' ILE . . . . . 0.697 ' O ' ' CG2' ' A' ' 614' ' ' ILE . 0.2 OUTLIER -147.53 82.97 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 1.0 109.325 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 615' ' ' LYS . . . . . 0.427 ' HB2' ' O ' ' A' ' 614' ' ' ILE . 13.7 mttt 81.32 -31.36 0.11 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.437 1.086 . . . . 1.0 109.297 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 616' ' ' GLU . . . . . 0.454 ' H ' ' C ' ' A' ' 614' ' ' ILE . 0.7 OUTLIER -156.86 -49.6 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 1.0 110.366 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 37.7 ttm-85 -157.83 138.15 12.68 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.588 1.18 . . . . 1.0 110.387 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 618' ' ' LYS . . . . . 0.497 ' HB3' ' C ' ' A' ' 612' ' ' THR . 0.0 OUTLIER -117.49 -98.64 0.45 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 1.0 109.299 -179.948 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 619' ' ' CYS . . . . . 0.484 ' O ' ' CG ' ' A' ' 611' ' ' GLU . 1.6 m -157.12 -170.22 3.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 1.0 108.198 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 620' ' ' LEU . . . . . 0.62 ' HA ' ' HA ' ' A' ' 611' ' ' GLU . 0.1 OUTLIER -99.67 154.47 18.27 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.521 1.138 . . . . 1.0 109.359 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 621' ' ' LEU . . . . . 0.5 ' CD2' ' HG3' ' A' ' 610' ' ' GLU . 0.6 OUTLIER -112.26 159.08 18.97 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.498 1.124 . . . . 1.0 109.357 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 622' ' ' LEU . . . . . 0.597 ' CD2' ' HE2' ' A' ' 651' ' ' TYR . 6.6 mt -153.83 87.25 1.21 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.561 1.163 . . . . 1.0 109.366 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 623' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.26 135.07 33.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 1.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 624' ' ' ILE . . . . . 0.736 ' HA ' ' HA ' ' A' ' 606' ' ' ILE . 65.2 mt -103.24 143.88 14.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.097 . . . . 1.0 109.272 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 625' ' ' ARG . . . . . 0.519 ' HA ' ' HG3' ' A' ' 607' ' ' GLN . 0.0 OUTLIER -78.89 3.45 16.92 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.5 1.125 . . . . 1.0 110.317 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 626' ' ' GLY . . . . . 0.401 ' H ' ' CG2' ' A' ' 624' ' ' ILE . . . -91.55 -27.58 17.07 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.563 1.164 . . . . 1.0 110.957 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 123.24 46.5 0.27 Allowed Glycine 0 CA--C 1.529 0.94 0 N-CA-C 111.003 -0.839 . . . . 1.0 111.003 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 628' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.64 169.57 18.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 0.755 . . . . 1.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 11.5 mp0 -145.34 142.83 29.75 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.532 1.145 . . . . 1.0 110.319 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 630' ' ' PHE . . . . . 0.504 ' CG ' ' HE2' ' A' ' 567' ' ' LYS . 0.8 OUTLIER -131.74 164.31 26.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 1.0 111.044 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 631' ' ' ILE . . . . . 0.519 ' O ' ' HG2' ' A' ' 567' ' ' LYS . 0.3 OUTLIER -143.74 111.05 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 1.0 109.32 -179.926 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 632' ' ' LEU . . . . . 0.54 HD12 ' CD1' ' A' ' 622' ' ' LEU . 0.7 OUTLIER -85.81 163.14 18.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.565 1.166 . . . . 1.0 109.256 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 633' ' ' GLN . . . . . 0.54 ' O ' ' OG ' ' A' ' 566' ' ' SER . 2.5 tm0? -156.31 120.6 4.49 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.451 1.094 . . . . 1.0 110.344 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 634' ' ' CYS . . . . . 0.451 ' SG ' ' HB2' ' A' ' 640' ' ' LEU . 2.7 p -127.0 154.18 44.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 1.0 108.283 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 635' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.72 -10.46 53.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 1.0 109.356 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 636' ' ' SER . . . . . 0.541 ' HB2' ' HB2' ' A' ' 639' ' ' GLU . 17.1 m -96.32 -174.56 3.1 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.546 1.154 . . . . 1.0 110.036 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 637' ' ' ASP . . . . . 0.716 ' H ' ' HD2' ' A' ' 638' ' ' PRO . 0.4 OUTLIER -110.76 -49.61 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.16 . . . . 1.0 109.341 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 638' ' ' PRO . . . . . 0.716 ' HD2' ' H ' ' A' ' 637' ' ' ASP . 18.3 Cg_endo -74.98 -50.34 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.557 1.819 . . . . 1.0 111.009 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 639' ' ' GLU . . . . . 0.58 ' C ' ' O ' ' A' ' 638' ' ' PRO . 38.6 mm-40 -21.93 -81.09 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.576 1.172 . . . . 1.0 110.332 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 640' ' ' LEU . . . . . 0.565 ' CD1' HD12 ' A' ' 620' ' ' LEU . 0.1 OUTLIER -52.89 -47.86 67.6 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 1.0 109.269 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 641' ' ' VAL . . . . . 0.505 ' N ' ' O ' ' A' ' 638' ' ' PRO . 0.5 OUTLIER -43.98 -55.53 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.592 1.182 . . . . 1.0 109.347 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 642' ' ' GLN . . . . . 0.503 ' N ' ' CG1' ' A' ' 641' ' ' VAL . 0.0 OUTLIER -65.72 -39.57 91.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.602 1.189 . . . . 1.0 110.293 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 643' ' ' TRP . . . . . 0.754 ' CZ3' ' HB2' ' A' ' 583' ' ' LEU . 22.6 m95 -56.03 -43.14 77.53 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.968 -1.123 . . . . 1.0 107.968 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 644' ' ' LYS . . . . . 0.561 ' HA ' ' HB2' ' A' ' 647' ' ' LEU . 0.1 OUTLIER -62.8 -61.03 2.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 1.0 109.315 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 645' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 644' ' ' LYS . 7.4 tmtt? -38.17 -51.13 1.44 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.426 1.079 . . . . 1.0 109.337 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 646' ' ' GLU . . . . . 0.55 ' OE1' ' CG ' ' A' ' 561' ' ' MET . 22.3 mt-10 -73.05 -34.21 66.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 1.0 110.342 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 647' ' ' LEU . . . . . 0.561 ' HB2' ' HA ' ' A' ' 644' ' ' LYS . 0.5 OUTLIER -67.54 -60.39 2.6 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.553 1.158 . . . . 1.0 109.337 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 648' ' ' ARG . . . . . 0.533 ' N ' ' O ' ' A' ' 644' ' ' LYS . 0.3 OUTLIER -40.83 -55.13 2.53 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.539 1.15 . . . . 1.0 110.277 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 649' ' ' ASP . . . . . 0.423 ' O ' ' N ' ' A' ' 653' ' ' GLU . 37.5 t0 -63.13 -46.55 86.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 1.0 109.354 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 650' ' ' ALA . . . . . 0.418 ' HB1' ' O ' ' A' ' 647' ' ' LEU . . . -47.6 -46.71 28.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.086 . . . . 1.0 109.204 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 651' ' ' TYR . . . . . 0.994 ' CD2' ' CG2' ' A' ' 606' ' ' ILE . 21.5 m-30 -75.61 -41.73 53.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.122 . . . . 1.0 111.037 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 652' ' ' ARG . . . . . 0.518 ' O ' ' HB2' ' A' ' 655' ' ' GLN . 0.2 OUTLIER -61.13 -62.13 2.06 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.545 1.153 . . . . 1.0 110.285 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 653' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' A' ' 649' ' ' ASP . 2.3 mt-10 -45.42 -56.81 4.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.614 1.196 . . . . 1.0 110.217 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 654' ' ' ALA . . . . . 0.495 ' HB1' ' O ' ' A' ' 603' ' ' MET . . . -46.17 -35.35 5.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.572 1.17 . . . . 1.0 109.315 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 655' ' ' GLN . . . . . 0.518 ' HB2' ' O ' ' A' ' 652' ' ' ARG . 57.6 mt-30 . . . . . 0 C--N 1.324 -0.538 0 O-C-N 124.501 1.125 . . . . 1.0 110.267 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 559' ' ' CYS . . . . . 0.516 ' HA ' ' HD3' ' A' ' 585' ' ' PRO . 2.0 t . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 108.238 -1.023 . . . . 1.0 108.238 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 560' ' ' ILE . . . . . 0.726 HG23 ' CG ' ' A' ' 646' ' ' GLU . 6.4 mt -100.51 -55.93 5.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.599 1.187 . . . . 1.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 561' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -150.51 150.6 31.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 1.0 111.026 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 562' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -150.9 156.87 42.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.115 . . . . 1.0 109.632 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 563' ' ' GLY . . . . . . . . . . . . . . . 165.34 -167.35 38.83 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.564 1.165 . . . . 1.0 111.017 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 564' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -98.26 121.39 40.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 0.785 . . . . 1.0 110.953 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 565' ' ' MET . . . . . 0.599 ' HA ' ' SG ' ' A' ' 634' ' ' CYS . 3.2 mtm -125.05 -156.15 0.71 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 1.0 110.979 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -154.35 133.35 12.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 1.0 110.044 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 567' ' ' LYS . . . . . 0.473 ' HE2' ' CD1' ' A' ' 630' ' ' PHE . 6.7 ttmt . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.421 1.076 . . . . 1.0 109.246 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 578' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 110.328 -0.249 . . . . 1.0 110.328 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 579' ' ' ARG . . . . . 0.472 ' O ' ' O ' ' A' ' 565' ' ' MET . 1.7 mtt-85 -126.52 165.1 19.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 1.0 110.283 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 580' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -87.86 125.86 34.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 1.0 111.034 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 581' ' ' PHE . . . . . 0.447 ' CE2' HD12 ' A' ' 588' ' ' LEU . 0.2 OUTLIER -113.12 160.3 18.35 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.454 1.096 . . . . 1.0 111.045 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 582' ' ' TYR . . . . . 0.512 ' O ' ' HA ' ' A' ' 588' ' ' LEU . 1.7 m-85 -146.74 107.6 4.15 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.564 1.165 . . . . 1.0 110.905 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 583' ' ' LEU . . . . . 0.717 HD12 ' HB2' ' A' ' 646' ' ' GLU . 0.7 OUTLIER -89.99 112.06 23.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.532 1.145 . . . . 1.0 109.341 179.874 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 584' ' ' PHE . . . . . 0.516 ' C ' HD13 ' A' ' 560' ' ' ILE . 0.8 OUTLIER -101.59 176.0 2.07 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 1.0 110.971 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 585' ' ' PRO . . . . . 0.516 ' HD3' ' HA ' ' A' ' 559' ' ' CYS . 18.3 Cg_endo -74.93 3.09 5.88 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.508 1.794 . . . . 1.0 111.031 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 586' ' ' ASN . . . . . 0.647 ' HA ' ' CG ' ' A' ' 603' ' ' MET . 56.8 m-80 -168.96 -42.2 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.443 1.089 . . . . 1.0 109.239 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 587' ' ' ARG . . . . . 0.489 ' O ' ' CB ' ' A' ' 588' ' ' LEU . 1.3 mtp85 -88.39 -171.67 3.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 1.0 110.26 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 588' ' ' LEU . . . . . 0.512 ' HA ' ' O ' ' A' ' 582' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 1.0 109.219 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 1.6 mp . . . . . 0 N--CA 1.454 -0.254 0 N-CA-C 109.316 -0.624 . . . . 1.0 109.316 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 602' ' ' THR . . . . . 0.472 ' HA ' ' HA ' ' A' ' 587' ' ' ARG . 0.0 OUTLIER -118.23 -169.71 1.75 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 1.0 110.387 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 603' ' ' MET . . . . . 0.647 ' CG ' ' HA ' ' A' ' 586' ' ' ASN . 0.3 OUTLIER -113.96 39.74 2.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 1.0 110.984 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 604' ' ' GLU . . . . . 0.4 ' HA ' ' HB2' ' A' ' 654' ' ' ALA . 12.5 pt-20 -124.95 54.52 1.41 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.402 1.064 . . . . 1.0 110.323 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 605' ' ' GLU . . . . . 0.486 ' O ' ' C ' ' A' ' 606' ' ' ILE . 2.9 pt-20 -157.93 -50.47 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 1.0 110.308 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 606' ' ' ILE . . . . . 0.936 ' CG2' ' CD2' ' A' ' 651' ' ' TYR . 0.9 OUTLIER -33.49 133.69 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.558 1.161 . . . . 1.0 109.372 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 607' ' ' GLN . . . . . 0.632 ' HG2' ' CB ' ' A' ' 625' ' ' ARG . 0.5 OUTLIER -90.69 -37.7 13.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 1.0 110.312 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 4.7 m -172.45 128.07 0.54 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.437 1.085 . . . . 1.0 109.977 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 609' ' ' VAL . . . . . 0.608 HG21 ' CD ' ' A' ' 644' ' ' LYS . 7.6 p -93.71 130.53 42.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 1.0 109.326 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 610' ' ' GLU . . . . . 0.572 ' CA ' ' HZ3' ' A' ' 644' ' ' LYS . 0.9 OUTLIER -150.45 -176.14 5.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 1.0 110.261 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 611' ' ' GLU . . . . . 0.481 ' HA ' ' HA ' ' A' ' 620' ' ' LEU . 14.5 tt0 -143.2 133.95 25.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 1.0 110.356 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 612' ' ' THR . . . . . 0.524 ' C ' ' HB3' ' A' ' 618' ' ' LYS . 0.0 OUTLIER -90.16 161.61 15.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.564 1.165 . . . . 1.0 110.35 -179.937 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 8.0 mp0 -128.36 155.35 44.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 1.0 110.324 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 614' ' ' ILE . . . . . 0.668 ' O ' ' CG2' ' A' ' 614' ' ' ILE . 0.2 OUTLIER -142.51 83.59 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.559 1.162 . . . . 1.0 109.331 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 615' ' ' LYS . . . . . 0.429 ' HB2' ' O ' ' A' ' 614' ' ' ILE . 9.8 mmtt 83.24 -32.45 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 1.0 109.263 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 616' ' ' GLU . . . . . 0.425 ' H ' ' C ' ' A' ' 614' ' ' ILE . 1.0 OUTLIER -156.97 -50.25 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 1.0 110.358 -179.929 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 1.8 ttt85 -157.71 138.43 13.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.564 1.165 . . . . 1.0 110.245 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 618' ' ' LYS . . . . . 0.524 ' HB3' ' C ' ' A' ' 612' ' ' THR . 7.5 tptt -115.24 -95.69 0.46 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.4 1.063 . . . . 1.0 109.347 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 619' ' ' CYS . . . . . 0.457 ' SG ' ' O ' ' A' ' 618' ' ' LYS . 85.9 m -154.01 173.66 15.7 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.496 1.122 . . . . 1.0 108.268 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 620' ' ' LEU . . . . . 0.575 ' CD1' ' CD1' ' A' ' 640' ' ' LEU . 0.3 OUTLIER -93.11 132.1 37.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 1.0 109.266 -179.952 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 621' ' ' LEU . . . . . 0.543 ' N ' ' O ' ' A' ' 610' ' ' GLU . 1.3 tp -95.61 161.39 14.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 1.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 622' ' ' LEU . . . . . 0.768 HD22 ' CE2' ' A' ' 651' ' ' TYR . 0.0 OUTLIER -148.23 75.68 1.34 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 1.0 109.302 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 623' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.15 141.62 57.32 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.533 1.146 . . . . 1.0 109.315 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 624' ' ' ILE . . . . . 0.649 ' HA ' ' HA ' ' A' ' 606' ' ' ILE . 11.6 mt -113.7 148.2 16.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.107 . . . . 1.0 109.313 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 625' ' ' ARG . . . . . 0.632 ' CB ' ' HG2' ' A' ' 607' ' ' GLN . 9.1 ptp180 -77.68 3.57 13.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.574 1.171 . . . . 1.0 110.376 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 626' ' ' GLY . . . . . . . . . . . . . . . -95.92 -5.45 59.74 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.521 1.138 . . . . 1.0 111.02 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 93.51 35.69 6.13 Favored Glycine 0 CA--C 1.531 1.046 0 N-CA-C 110.987 -0.845 . . . . 1.0 110.987 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 628' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.42 121.6 16.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 0.789 . . . . 1.0 109.324 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 15.7 mp0 -98.96 144.98 27.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 1.0 110.355 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 630' ' ' PHE . . . . . 0.473 ' CD1' ' HE2' ' A' ' 567' ' ' LYS . 0.8 OUTLIER -127.62 144.5 51.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 1.0 110.989 -179.887 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 631' ' ' ILE . . . . . 0.534 ' CG2' ' O ' ' A' ' 631' ' ' ILE . 0.3 OUTLIER -128.96 107.27 15.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.347 1.03 . . . . 1.0 109.292 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 632' ' ' LEU . . . . . 0.486 ' N ' ' CD2' ' A' ' 632' ' ' LEU . 0.4 OUTLIER -121.76 166.75 13.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 1.0 109.267 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 633' ' ' GLN . . . . . 0.452 ' HG3' ' SG ' ' A' ' 619' ' ' CYS . 2.2 tm0? -151.09 -178.48 6.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.427 1.079 . . . . 1.0 110.351 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 634' ' ' CYS . . . . . 0.599 ' SG ' ' HA ' ' A' ' 565' ' ' MET . 0.5 OUTLIER -154.39 163.54 40.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 1.0 108.365 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 635' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -85.13 -23.04 28.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 1.0 109.312 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 636' ' ' SER . . . . . 0.504 ' CB ' ' HG3' ' A' ' 639' ' ' GLU . 0.5 OUTLIER -91.33 150.08 21.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.438 1.086 . . . . 1.0 110.037 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 637' ' ' ASP . . . . . 0.595 ' N ' ' CD ' ' A' ' 638' ' ' PRO . 0.7 OUTLIER -81.08 -47.0 1.14 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 1.0 109.282 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 638' ' ' PRO . . . . . 0.595 ' CD ' ' N ' ' A' ' 637' ' ' ASP . 18.1 Cg_endo -74.96 -51.99 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.522 1.801 . . . . 1.0 111.053 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 639' ' ' GLU . . . . . 0.558 ' C ' ' O ' ' A' ' 638' ' ' PRO . 20.5 mt-10 -25.89 -82.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.565 1.166 . . . . 1.0 110.325 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 640' ' ' LEU . . . . . 0.575 ' CD1' ' CD1' ' A' ' 620' ' ' LEU . 0.2 OUTLIER -46.39 -47.58 18.76 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.466 1.104 . . . . 1.0 109.324 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 641' ' ' VAL . . . . . 0.472 ' CG1' ' N ' ' A' ' 642' ' ' GLN . 0.7 OUTLIER -46.67 -54.62 2.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 1.0 109.279 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 642' ' ' GLN . . . . . 0.472 ' N ' ' CG1' ' A' ' 641' ' ' VAL . 0.0 OUTLIER -64.34 -39.19 93.4 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.545 1.153 . . . . 1.0 110.273 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 643' ' ' TRP . . . . . 0.622 ' CZ3' ' CB ' ' A' ' 583' ' ' LEU . 24.2 m95 -55.04 -45.87 75.26 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.002 -1.11 . . . . 1.0 108.002 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 644' ' ' LYS . . . . . 0.608 ' CD ' HG21 ' A' ' 609' ' ' VAL . 0.1 OUTLIER -55.27 -58.35 8.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.625 1.203 . . . . 1.0 109.427 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 645' ' ' LYS . . . . . 0.401 ' HB3' ' OE1' ' A' ' 646' ' ' GLU . 2.5 tmtm? -41.42 -54.68 3.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.438 1.087 . . . . 1.0 109.236 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 646' ' ' GLU . . . . . 0.726 ' CG ' HG23 ' A' ' 560' ' ' ILE . 0.8 OUTLIER -66.8 -33.6 75.98 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.456 1.098 . . . . 1.0 110.318 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 647' ' ' LEU . . . . . 0.609 HD21 ' CE1' ' A' ' 651' ' ' TYR . 23.2 mt -65.03 -62.35 1.6 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 1.0 109.276 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 648' ' ' ARG . . . . . 0.46 ' HG3' ' CG1' ' A' ' 609' ' ' VAL . 2.6 ttp180 -38.55 -59.77 0.88 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 1.0 110.289 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 649' ' ' ASP . . . . . 0.456 ' O ' ' N ' ' A' ' 653' ' ' GLU . 42.4 t0 -57.3 -44.53 84.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 1.0 109.332 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 650' ' ' ALA . . . . . 0.638 ' CB ' ' SD ' ' A' ' 603' ' ' MET . . . -51.77 -54.11 32.23 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.126 . . . . 1.0 109.207 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 651' ' ' TYR . . . . . 0.936 ' CD2' ' CG2' ' A' ' 606' ' ' ILE . 4.1 m-30 -67.09 -23.03 65.81 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.468 1.105 . . . . 1.0 110.976 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 652' ' ' ARG . . . . . 0.561 ' O ' ' HG2' ' A' ' 655' ' ' GLN . 15.2 mtp-105 -82.28 -71.5 0.48 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.46 1.1 . . . . 1.0 110.339 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 653' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 649' ' ' ASP . 0.1 OUTLIER -37.22 -31.59 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.553 1.158 . . . . 1.0 110.27 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 654' ' ' ALA . . . . . 0.484 ' HB1' ' O ' ' A' ' 603' ' ' MET . . . -77.36 -51.77 10.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.11 . . . . 1.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 655' ' ' GLN . . . . . 0.561 ' HG2' ' O ' ' A' ' 652' ' ' ARG . 1.5 pt20 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 1.0 110.297 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 559' ' ' CYS . . . . . 0.437 ' SG ' ' O ' ' A' ' 583' ' ' LEU . 47.6 t . . . . . 0 N--CA 1.454 -0.233 0 N-CA-C 108.224 -1.028 . . . . 1.0 108.224 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 560' ' ' ILE . . . . . 0.574 HD13 ' C ' ' A' ' 584' ' ' PHE . 53.2 mt -84.29 -59.0 3.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 1.0 109.34 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 561' ' ' MET . . . . . 0.435 ' SD ' ' OE2' ' A' ' 646' ' ' GLU . 0.0 OUTLIER -143.84 129.22 18.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 1.0 110.983 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 562' ' ' HIS . . . . . 0.521 ' HA ' ' CZ2' ' A' ' 643' ' ' TRP . 0.2 OUTLIER -130.03 156.45 44.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 1.0 109.561 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 563' ' ' GLY . . . . . 0.566 ' CA ' ' CE1' ' A' ' 580' ' ' TYR . . . 166.82 -172.0 41.84 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.497 1.123 . . . . 1.0 111.054 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 564' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -100.25 122.21 42.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 0.775 . . . . 1.0 111.043 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 565' ' ' MET . . . . . 0.576 ' SD ' ' CD2' ' A' ' 643' ' ' TRP . 2.5 ptt? -153.21 140.37 19.42 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.519 1.137 . . . . 1.0 110.993 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 566' ' ' SER . . . . . 0.543 ' OG ' ' O ' ' A' ' 633' ' ' GLN . 0.3 OUTLIER -93.16 153.77 18.45 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 1.0 110.001 179.945 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 567' ' ' LYS . . . . . 0.521 ' HD3' ' CD1' ' A' ' 630' ' ' PHE . 4.1 tmmm? . . . . . 0 C--N 1.324 -0.529 0 O-C-N 124.504 1.127 . . . . 1.0 109.373 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 578' ' ' ARG . . . . . 0.533 ' HA ' ' HB2' ' A' ' 566' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.214 -0.291 . . . . 1.0 110.214 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 579' ' ' ARG . . . . . 0.573 ' HB2' ' CE1' ' A' ' 581' ' ' PHE . 59.9 mtp180 -146.07 154.72 42.16 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.462 1.101 . . . . 1.0 110.277 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 580' ' ' TYR . . . . . 0.566 ' CE1' ' CA ' ' A' ' 563' ' ' GLY . 0.5 OUTLIER -97.98 118.44 34.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.433 1.083 . . . . 1.0 110.992 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 581' ' ' PHE . . . . . 0.573 ' CE1' ' HB2' ' A' ' 579' ' ' ARG . 12.9 m-30 -115.08 172.95 6.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.604 1.19 . . . . 1.0 110.929 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 582' ' ' TYR . . . . . 0.481 ' CA ' ' HH2' ' A' ' 643' ' ' TRP . 21.9 m-85 -136.03 124.02 22.82 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 1.0 110.999 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 583' ' ' LEU . . . . . 0.682 ' HB2' ' CZ3' ' A' ' 643' ' ' TRP . 7.7 tp -88.45 111.82 22.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 1.0 109.305 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 584' ' ' PHE . . . . . 0.574 ' C ' HD13 ' A' ' 560' ' ' ILE . 7.1 m-85 -100.91 171.86 5.04 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.548 1.155 . . . . 1.0 110.979 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 585' ' ' PRO . . . . . 0.454 ' HA ' HD13 ' A' ' 560' ' ' ILE . 18.1 Cg_endo -75.09 15.36 0.76 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.555 1.818 . . . . 1.0 110.981 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 586' ' ' ASN . . . . . 0.707 ' HA ' ' CG ' ' A' ' 603' ' ' MET . 0.7 OUTLIER 176.39 -40.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 1.0 109.3 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 587' ' ' ARG . . . . . 0.629 ' HA ' ' HA ' ' A' ' 602' ' ' THR . 0.0 OUTLIER -86.38 -167.54 1.91 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 1.0 110.271 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 588' ' ' LEU . . . . . 0.425 HD13 ' C ' ' A' ' 588' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 1.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 601' ' ' LEU . . . . . 0.401 ' HG ' ' N ' ' A' ' 602' ' ' THR . 44.3 tp . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.244 -0.65 . . . . 1.0 109.244 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 602' ' ' THR . . . . . 0.629 ' HA ' ' HA ' ' A' ' 587' ' ' ARG . 0.0 OUTLIER -114.84 -166.18 1.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 1.0 110.49 179.94 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 603' ' ' MET . . . . . 0.707 ' CG ' ' HA ' ' A' ' 586' ' ' ASN . 0.2 OUTLIER -125.38 38.72 4.12 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.445 1.091 . . . . 1.0 111.025 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 604' ' ' GLU . . . . . 0.522 ' HA ' ' HB2' ' A' ' 654' ' ' ALA . 10.7 pt-20 -126.16 58.82 1.34 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.45 1.094 . . . . 1.0 110.31 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 605' ' ' GLU . . . . . 0.448 ' O ' ' C ' ' A' ' 606' ' ' ILE . 3.1 pt-20 -157.68 -52.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 1.0 110.238 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 606' ' ' ILE . . . . . 1.016 ' CG2' ' CD2' ' A' ' 651' ' ' TYR . 0.9 OUTLIER -36.66 134.1 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.478 1.111 . . . . 1.0 109.321 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 607' ' ' GLN . . . . . 0.643 ' HG2' ' CB ' ' A' ' 625' ' ' ARG . 0.1 OUTLIER -83.74 -41.25 17.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.091 . . . . 1.0 110.243 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 608' ' ' SER . . . . . 0.462 ' O ' ' CD ' ' A' ' 623' ' ' LYS . 3.4 m -176.63 132.72 0.21 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.432 1.083 . . . . 1.0 110.064 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 609' ' ' VAL . . . . . 0.512 ' CG2' ' HD3' ' A' ' 644' ' ' LYS . 9.6 p -98.05 150.44 4.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 1.0 109.302 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 610' ' ' GLU . . . . . 0.491 ' O ' ' N ' ' A' ' 621' ' ' LEU . 0.6 OUTLIER -162.41 -168.53 1.87 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.372 1.045 . . . . 1.0 110.404 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 611' ' ' GLU . . . . . 0.521 ' HA ' ' HA ' ' A' ' 620' ' ' LEU . 32.2 tt0 -145.09 148.72 33.97 Favored 'General case' 0 C--N 1.322 -0.6 0 O-C-N 124.643 1.215 . . . . 1.0 110.346 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 612' ' ' THR . . . . . 0.61 ' C ' ' HB3' ' A' ' 618' ' ' LYS . 0.1 OUTLIER -115.82 166.31 12.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 1.0 110.337 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 613' ' ' GLN . . . . . 0.469 ' N ' ' HB3' ' A' ' 618' ' ' LYS . 10.9 mt-30 -134.09 156.55 48.06 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.47 1.106 . . . . 1.0 110.301 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 614' ' ' ILE . . . . . 0.715 ' O ' ' CG2' ' A' ' 614' ' ' ILE . 0.0 OUTLIER -140.29 85.29 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 1.0 109.296 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 615' ' ' LYS . . . . . 0.403 ' HB2' ' O ' ' A' ' 614' ' ' ILE . 11.4 mmtm 81.29 -35.71 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 1.0 109.295 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 616' ' ' GLU . . . . . 0.438 ' H ' ' C ' ' A' ' 614' ' ' ILE . 2.5 tt0 -156.12 -44.31 0.08 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.493 1.121 . . . . 1.0 110.277 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 2.7 ttm180 -154.7 136.15 14.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.101 . . . . 1.0 110.317 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 618' ' ' LYS . . . . . 0.61 ' HB3' ' C ' ' A' ' 612' ' ' THR . 5.8 tptt -117.42 -95.33 0.48 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 1.0 109.299 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 619' ' ' CYS . . . . . 0.474 ' O ' ' CG ' ' A' ' 611' ' ' GLU . 6.9 m -158.96 -170.7 3.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.527 1.142 . . . . 1.0 108.335 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 620' ' ' LEU . . . . . 0.609 ' CD1' ' CD1' ' A' ' 640' ' ' LEU . 0.1 OUTLIER -104.26 143.32 33.12 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.464 1.102 . . . . 1.0 109.268 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 621' ' ' LEU . . . . . 0.491 ' N ' ' O ' ' A' ' 610' ' ' GLU . 5.7 tp -94.43 159.49 15.08 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.526 1.142 . . . . 1.0 109.261 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 622' ' ' LEU . . . . . 0.562 ' CD2' HG12 ' A' ' 606' ' ' ILE . 0.8 OUTLIER -162.96 85.66 0.53 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.556 1.16 . . . . 1.0 109.226 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 623' ' ' LYS . . . . . 0.462 ' CD ' ' O ' ' A' ' 608' ' ' SER . 0.0 OUTLIER -90.93 138.24 31.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 1.0 109.334 179.915 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 624' ' ' ILE . . . . . 0.715 ' HA ' ' HA ' ' A' ' 606' ' ' ILE . 71.4 mt -103.94 143.38 15.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 1.0 109.334 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 625' ' ' ARG . . . . . 0.643 ' CB ' ' HG2' ' A' ' 607' ' ' GLN . 2.9 ptm180 -79.41 3.64 17.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.432 1.083 . . . . 1.0 110.254 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 626' ' ' GLY . . . . . 0.416 ' H ' ' CG2' ' A' ' 624' ' ' ILE . . . -88.12 -20.42 49.54 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.553 1.158 . . . . 1.0 111.008 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 116.14 41.14 0.78 Allowed Glycine 0 CA--C 1.529 0.935 0 N-CA-C 110.991 -0.844 . . . . 1.0 110.991 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 628' ' ' LYS . . . . . . . . . . . . . 1.2 mtmm -143.97 170.16 16.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 0.731 . . . . 1.0 109.263 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 629' ' ' GLN . . . . . 0.431 ' NE2' HD13 ' A' ' 631' ' ' ILE . 0.0 OUTLIER -143.61 135.11 26.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 1.0 110.339 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 630' ' ' PHE . . . . . 0.521 ' CD1' ' HD3' ' A' ' 567' ' ' LYS . 0.4 OUTLIER -125.07 166.91 15.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.15 . . . . 1.0 110.908 -179.954 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 631' ' ' ILE . . . . . 0.431 HD13 ' NE2' ' A' ' 629' ' ' GLN . 0.2 OUTLIER -145.8 112.11 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.537 1.148 . . . . 1.0 109.294 179.872 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 632' ' ' LEU . . . . . 0.442 HD12 ' CD1' ' A' ' 622' ' ' LEU . 0.8 OUTLIER -83.28 152.77 24.99 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.095 . . . . 1.0 109.333 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 633' ' ' GLN . . . . . 0.543 ' O ' ' OG ' ' A' ' 566' ' ' SER . 3.0 tm0? -153.13 103.42 2.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 1.0 110.335 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 634' ' ' CYS . . . . . 0.446 ' SG ' ' HA ' ' A' ' 565' ' ' MET . 8.7 t -116.51 164.06 15.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 1.0 108.221 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 635' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -88.1 -14.96 37.5 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.477 1.11 . . . . 1.0 109.299 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 636' ' ' SER . . . . . 0.471 ' CB ' ' HB2' ' A' ' 639' ' ' GLU . 0.4 OUTLIER -92.52 146.92 23.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 1.0 110.084 179.927 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 637' ' ' ASP . . . . . 0.622 ' N ' ' CD ' ' A' ' 638' ' ' PRO . 3.2 t0 -84.23 -45.12 0.75 Allowed Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.452 1.095 . . . . 1.0 109.255 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 638' ' ' PRO . . . . . 0.622 ' CD ' ' N ' ' A' ' 637' ' ' ASP . 18.6 Cg_endo -75.0 -52.76 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.517 1.799 . . . . 1.0 110.996 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 639' ' ' GLU . . . . . 0.55 ' C ' ' O ' ' A' ' 638' ' ' PRO . 23.2 mm-40 -25.54 -80.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.531 1.144 . . . . 1.0 110.249 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 640' ' ' LEU . . . . . 0.609 ' CD1' ' CD1' ' A' ' 620' ' ' LEU . 0.2 OUTLIER -50.47 -46.35 56.83 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.461 1.101 . . . . 1.0 109.285 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 641' ' ' VAL . . . . . 0.515 ' CG1' ' N ' ' A' ' 642' ' ' GLN . 0.9 OUTLIER -45.84 -59.17 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 1.0 109.304 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 642' ' ' GLN . . . . . 0.515 ' N ' ' CG1' ' A' ' 641' ' ' VAL . 0.1 OUTLIER -62.6 -39.98 95.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.433 1.083 . . . . 1.0 110.249 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 643' ' ' TRP . . . . . 0.682 ' CZ3' ' HB2' ' A' ' 583' ' ' LEU . 22.6 m95 -54.46 -46.88 73.41 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.982 -1.118 . . . . 1.0 107.982 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 644' ' ' LYS . . . . . 0.562 ' CE ' HD22 ' A' ' 620' ' ' LEU . 0.1 OUTLIER -57.4 -61.04 2.77 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.521 1.138 . . . . 1.0 109.363 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 645' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 644' ' ' LYS . 10.0 tmtt? -38.58 -57.89 1.11 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.58 1.175 . . . . 1.0 109.354 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 646' ' ' GLU . . . . . 0.559 ' CB ' HD21 ' A' ' 583' ' ' LEU . 0.7 OUTLIER -66.12 -35.49 80.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.561 1.163 . . . . 1.0 110.282 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 647' ' ' LEU . . . . . 0.665 ' HG ' ' CD1' ' A' ' 583' ' ' LEU . 0.4 OUTLIER -66.03 -64.25 0.9 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 1.0 109.353 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 648' ' ' ARG . . . . . 0.552 ' N ' ' O ' ' A' ' 644' ' ' LYS . 0.2 OUTLIER -35.88 -57.87 0.66 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 1.0 110.311 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 649' ' ' ASP . . . . . 0.44 ' O ' ' N ' ' A' ' 653' ' ' GLU . 47.2 t0 -60.01 -43.23 95.37 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.555 1.16 . . . . 1.0 109.328 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 650' ' ' ALA . . . . . 0.531 ' CB ' ' SD ' ' A' ' 603' ' ' MET . . . -52.41 -51.2 60.32 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.536 1.148 . . . . 1.0 109.322 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 651' ' ' TYR . . . . . 1.016 ' CD2' ' CG2' ' A' ' 606' ' ' ILE . 21.3 m-30 -70.55 -28.63 65.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 1.0 110.976 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 652' ' ' ARG . . . . . 0.621 ' O ' ' HG2' ' A' ' 655' ' ' GLN . 4.4 mmm180 -75.99 -63.18 1.37 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.424 1.078 . . . . 1.0 110.352 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 653' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 649' ' ' ASP . 3.6 tp10 -45.64 -30.65 1.6 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 1.0 110.302 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 654' ' ' ALA . . . . . 0.522 ' HB2' ' HA ' ' A' ' 604' ' ' GLU . . . -80.12 -53.78 6.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 1.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 655' ' ' GLN . . . . . 0.621 ' HG2' ' O ' ' A' ' 652' ' ' ARG . 6.3 pt20 . . . . . 0 C--N 1.324 -0.529 0 O-C-N 124.468 1.105 . . . . 1.0 110.259 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 559' ' ' CYS . . . . . 0.591 ' CA ' ' HD3' ' A' ' 585' ' ' PRO . 4.7 t . . . . . 0 N--CA 1.455 -0.214 0 N-CA-C 108.318 -0.993 . . . . 1.0 108.318 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 560' ' ' ILE . . . . . 0.633 HG23 ' CG ' ' A' ' 646' ' ' GLU . 39.2 mt -97.49 -64.62 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.148 . . . . 1.0 109.322 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 561' ' ' MET . . . . . 0.498 ' HB2' ' HG2' ' A' ' 646' ' ' GLU . 0.0 OUTLIER -152.94 138.88 18.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.584 1.178 . . . . 1.0 110.983 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 562' ' ' HIS . . . . . . . . . . . . . 4.6 p80 -128.32 153.64 46.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 1.0 109.572 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 563' ' ' GLY . . . . . . . . . . . . . . . 171.39 -176.5 44.63 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.452 1.095 . . . . 1.0 111.057 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 564' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -103.68 121.72 43.55 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.511 0.771 . . . . 1.0 111.004 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 565' ' ' MET . . . . . 0.618 ' SD ' ' CE2' ' A' ' 643' ' ' TRP . 2.6 ptm -150.95 152.68 33.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 1.0 111.04 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 566' ' ' SER . . . . . 0.43 ' O ' ' N ' ' A' ' 633' ' ' GLN . 0.3 OUTLIER -102.52 136.69 41.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 1.0 109.972 -179.933 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 567' ' ' LYS . . . . . 0.643 ' HE2' ' CE1' ' A' ' 630' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.423 1.077 . . . . 1.0 109.357 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 578' ' ' ARG . . . . . 0.402 ' HA ' ' HB2' ' A' ' 566' ' ' SER . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 110.306 -0.257 . . . . 1.0 110.306 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 579' ' ' ARG . . . . . 0.493 ' O ' ' O ' ' A' ' 565' ' ' MET . 10.3 mtm180 -131.73 161.65 32.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 1.0 110.344 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 580' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -89.58 123.63 33.82 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.533 1.146 . . . . 1.0 111.082 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 581' ' ' PHE . . . . . 0.471 ' CD2' HD13 ' A' ' 588' ' ' LEU . 2.6 m-85 -117.5 159.94 22.03 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.547 1.154 . . . . 1.0 111.044 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 582' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -139.15 122.64 17.27 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.507 1.129 . . . . 1.0 111.068 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 583' ' ' LEU . . . . . 0.678 ' HB2' ' CZ3' ' A' ' 643' ' ' TRP . 6.1 tp -90.01 102.97 15.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 1.0 109.35 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 584' ' ' PHE . . . . . 0.457 ' CB ' ' O ' ' A' ' 587' ' ' ARG . 0.2 OUTLIER -103.81 147.43 34.25 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.45 1.094 . . . . 1.0 110.981 -179.94 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 585' ' ' PRO . . . . . 0.591 ' HD3' ' CA ' ' A' ' 559' ' ' CYS . 18.2 Cg_endo -75.07 64.48 6.11 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.459 1.768 . . . . 1.0 110.931 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 586' ' ' ASN . . . . . 0.563 ' HA ' ' SD ' ' A' ' 603' ' ' MET . 7.9 m-20 151.2 -31.04 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.445 1.091 . . . . 1.0 109.341 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 587' ' ' ARG . . . . . 0.56 ' HA ' ' HA ' ' A' ' 602' ' ' THR . 0.0 OUTLIER -142.6 -175.03 4.31 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.134 . . . . 1.0 110.411 179.937 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 588' ' ' LEU . . . . . 0.471 HD13 ' CD2' ' A' ' 581' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.46 1.1 . . . . 1.0 109.351 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 3.8 mm? . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.255 -0.646 . . . . 1.0 109.255 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 602' ' ' THR . . . . . 0.56 ' HA ' ' HA ' ' A' ' 587' ' ' ARG . 0.2 OUTLIER -104.86 -157.58 0.62 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 1.0 110.348 -179.932 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 603' ' ' MET . . . . . 0.563 ' SD ' ' HA ' ' A' ' 586' ' ' ASN . 0.7 OUTLIER -126.52 20.59 7.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.14 . . . . 1.0 110.932 -179.946 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -121.58 66.13 0.89 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 1.0 110.323 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 605' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -158.6 -49.59 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 1.0 110.293 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 606' ' ' ILE . . . . . 0.909 ' CG2' ' CD2' ' A' ' 651' ' ' TYR . 1.1 mp -46.15 134.9 2.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.556 1.16 . . . . 1.0 109.273 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 607' ' ' GLN . . . . . 0.524 ' HG3' ' HA ' ' A' ' 625' ' ' ARG . 0.0 OUTLIER -88.3 -37.63 15.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 1.0 110.369 179.898 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 608' ' ' SER . . . . . 0.515 ' O ' ' CD ' ' A' ' 623' ' ' LYS . 0.8 OUTLIER -176.23 135.1 0.26 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 1.0 109.994 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 609' ' ' VAL . . . . . 0.538 HG21 ' CD ' ' A' ' 644' ' ' LYS . 4.1 p -107.38 142.44 20.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 1.0 109.255 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 610' ' ' GLU . . . . . 0.523 ' C ' ' HE3' ' A' ' 644' ' ' LYS . 0.1 OUTLIER -163.92 173.7 12.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.579 1.174 . . . . 1.0 110.313 179.925 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 611' ' ' GLU . . . . . 0.578 ' HA ' ' HA ' ' A' ' 620' ' ' LEU . 20.4 tt0 -119.9 145.13 46.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 1.0 110.298 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 612' ' ' THR . . . . . 0.483 ' O ' ' HB3' ' A' ' 618' ' ' LYS . 3.2 t -110.77 139.84 45.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.383 1.052 . . . . 1.0 110.452 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -111.58 158.27 19.41 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 1.0 110.298 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 614' ' ' ILE . . . . . 0.735 ' O ' ' CG2' ' A' ' 614' ' ' ILE . 0.0 OUTLIER -146.55 87.93 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 1.0 109.212 179.932 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 615' ' ' LYS . . . . . 0.444 ' CB ' ' O ' ' A' ' 614' ' ' ILE . 2.8 mttp 84.3 -36.97 0.06 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.155 . . . . 1.0 109.274 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 616' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -155.68 -50.24 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 1.0 110.307 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 617' ' ' ARG . . . . . 0.637 ' CZ ' ' OD1' ' A' ' 637' ' ' ASP . 10.4 ttt180 -161.73 133.37 5.48 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.548 1.155 . . . . 1.0 110.343 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 618' ' ' LYS . . . . . 0.486 ' CG ' ' CD1' ' A' ' 614' ' ' ILE . 0.6 OUTLIER -112.94 -101.95 0.41 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 1.0 109.236 -179.903 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 619' ' ' CYS . . . . . 0.667 ' SG ' ' CG ' ' A' ' 633' ' ' GLN . 0.0 OUTLIER -145.38 -161.31 1.28 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 1.0 108.21 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 620' ' ' LEU . . . . . 0.672 ' CD1' ' CD1' ' A' ' 640' ' ' LEU . 0.0 OUTLIER -114.51 156.96 23.64 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.499 1.124 . . . . 1.0 109.358 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 621' ' ' LEU . . . . . 0.495 ' CD2' ' CD ' ' A' ' 610' ' ' GLU . 0.4 OUTLIER -117.34 154.74 30.76 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.523 1.139 . . . . 1.0 109.3 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 622' ' ' LEU . . . . . 0.6 ' CD2' ' HE2' ' A' ' 651' ' ' TYR . 5.9 mt -149.23 87.67 1.54 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 1.0 109.286 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 623' ' ' LYS . . . . . 0.515 ' CD ' ' O ' ' A' ' 608' ' ' SER . 0.0 OUTLIER -86.66 135.66 33.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.428 1.08 . . . . 1.0 109.244 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 624' ' ' ILE . . . . . 0.709 ' HA ' ' HA ' ' A' ' 606' ' ' ILE . 71.8 mt -107.2 143.0 18.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.145 . . . . 1.0 109.234 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 625' ' ' ARG . . . . . 0.524 ' HA ' ' HG3' ' A' ' 607' ' ' GLN . 0.0 OUTLIER -77.9 2.71 16.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 1.0 110.291 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 626' ' ' GLY . . . . . . . . . . . . . . . -85.39 -28.04 31.32 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.518 1.136 . . . . 1.0 110.997 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 129.68 -5.23 6.19 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.942 -0.863 . . . . 1.0 110.942 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 628' ' ' LYS . . . . . . . . . . . . . 8.4 mtmt -106.42 168.06 9.42 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.416 0.715 . . . . 1.0 109.228 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 21.3 mp0 -135.55 173.38 11.78 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.42 1.075 . . . . 1.0 110.306 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 630' ' ' PHE . . . . . 0.643 ' CE1' ' HE2' ' A' ' 567' ' ' LYS . 0.3 OUTLIER -152.61 160.59 43.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 1.0 111.036 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 631' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -140.91 114.33 5.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 1.0 109.294 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 632' ' ' LEU . . . . . 0.55 ' CD1' HD21 ' A' ' 620' ' ' LEU . 0.5 OUTLIER -84.4 149.2 26.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 1.0 109.246 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 633' ' ' GLN . . . . . 0.667 ' CG ' ' SG ' ' A' ' 619' ' ' CYS . 0.5 OUTLIER -154.72 104.77 2.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 1.0 110.346 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 634' ' ' CYS . . . . . 0.424 ' SG ' ' OE1' ' A' ' 639' ' ' GLU . 12.2 t -122.89 148.35 45.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 1.0 108.258 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 635' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.17 -6.21 37.73 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.544 1.153 . . . . 1.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 636' ' ' SER . . . . . 0.495 ' CB ' ' HB2' ' A' ' 639' ' ' GLU . 1.6 m -102.54 143.36 32.34 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.45 1.094 . . . . 1.0 109.978 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 637' ' ' ASP . . . . . 0.648 ' N ' ' CD ' ' A' ' 638' ' ' PRO . 0.4 OUTLIER -81.45 -43.7 1.12 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.567 1.167 . . . . 1.0 109.246 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 638' ' ' PRO . . . . . 0.648 ' CD ' ' N ' ' A' ' 637' ' ' ASP . 18.6 Cg_endo -75.0 -52.45 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.563 1.823 . . . . 1.0 111.007 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 639' ' ' GLU . . . . . 0.561 ' C ' ' O ' ' A' ' 638' ' ' PRO . 2.6 tt0 -25.21 -76.12 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.437 1.086 . . . . 1.0 110.345 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 640' ' ' LEU . . . . . 0.672 ' CD1' ' CD1' ' A' ' 620' ' ' LEU . 0.2 OUTLIER -53.56 -51.91 61.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 1.0 109.292 179.949 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 641' ' ' VAL . . . . . 0.526 ' CG1' ' N ' ' A' ' 642' ' ' GLN . 0.8 OUTLIER -41.3 -58.93 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.518 1.136 . . . . 1.0 109.351 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 642' ' ' GLN . . . . . 0.526 ' N ' ' CG1' ' A' ' 641' ' ' VAL . 0.0 OUTLIER -64.68 -42.16 95.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 1.0 110.231 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 643' ' ' TRP . . . . . 0.678 ' CZ3' ' HB2' ' A' ' 583' ' ' LEU . 11.2 m95 -52.25 -42.51 63.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 1.0 107.993 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 644' ' ' LYS . . . . . 0.538 ' CD ' HG21 ' A' ' 609' ' ' VAL . 0.0 OUTLIER -58.18 -59.35 5.44 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.465 1.103 . . . . 1.0 109.322 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 645' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 644' ' ' LYS . 7.9 tmtm? -39.18 -55.12 1.7 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.42 1.075 . . . . 1.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 646' ' ' GLU . . . . . 0.633 ' CG ' HG23 ' A' ' 560' ' ' ILE . 1.0 OUTLIER -64.98 -37.42 87.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 1.0 110.368 179.914 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 647' ' ' LEU . . . . . 0.574 ' HG ' ' CD1' ' A' ' 583' ' ' LEU . 0.6 OUTLIER -64.69 -62.72 1.4 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.564 1.165 . . . . 1.0 109.347 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 648' ' ' ARG . . . . . 0.486 ' HG3' ' CG1' ' A' ' 609' ' ' VAL . 6.3 ttp180 -36.97 -50.84 0.9 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.363 1.039 . . . . 1.0 110.321 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 649' ' ' ASP . . . . . 0.435 ' O ' ' C ' ' A' ' 650' ' ' ALA . 43.3 t0 -64.23 -58.49 6.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 1.0 109.309 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 650' ' ' ALA . . . . . 0.513 ' O ' ' HB2' ' A' ' 603' ' ' MET . . . -37.42 -50.81 1.09 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.586 1.179 . . . . 1.0 109.349 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 651' ' ' TYR . . . . . 0.909 ' CD2' ' CG2' ' A' ' 606' ' ' ILE . 10.9 m-30 -69.95 -47.86 60.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 1.0 111.05 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 652' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' A' ' 655' ' ' GLN . 23.3 mtp180 -57.02 -62.52 1.69 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 1.0 110.297 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 653' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -39.57 -54.54 1.98 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 1.0 110.307 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -47.97 -45.27 31.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 1.0 109.322 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 655' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' A' ' 652' ' ' ARG . 55.7 mt-30 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 1.0 110.248 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 559' ' ' CYS . . . . . 0.413 ' SG ' ' O ' ' A' ' 583' ' ' LEU . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 108.224 -1.028 . . . . 1.0 108.224 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 560' ' ' ILE . . . . . 0.595 ' CG2' ' HG3' ' A' ' 646' ' ' GLU . 49.4 mt -75.49 -59.79 2.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 1.0 109.337 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 561' ' ' MET . . . . . 0.529 ' CE ' ' HB3' ' A' ' 642' ' ' GLN . 0.0 OUTLIER -137.02 142.52 42.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.1 . . . . 1.0 111.039 179.902 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 562' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -141.45 148.37 39.4 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.554 1.159 . . . . 1.0 109.601 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 563' ' ' GLY . . . . . . . . . . . . . . . 171.11 -171.36 43.88 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.485 1.115 . . . . 1.0 111.058 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 564' ' ' TYR . . . . . 0.419 ' HE1' ' CA ' ' A' ' 579' ' ' ARG . 0.8 OUTLIER -107.12 120.54 42.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 0.729 . . . . 1.0 110.899 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 565' ' ' MET . . . . . 0.597 ' O ' ' O ' ' A' ' 579' ' ' ARG . 1.8 ptt? -151.87 150.68 30.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 1.0 111.048 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 566' ' ' SER . . . . . 0.452 ' HB2' ' HA ' ' A' ' 578' ' ' ARG . 0.2 OUTLIER -96.67 149.01 22.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 1.0 110.022 -179.931 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 567' ' ' LYS . . . . . 0.658 ' HE2' ' CD1' ' A' ' 630' ' ' PHE . 12.1 tttt . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 1.0 109.215 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 578' ' ' ARG . . . . . 0.452 ' HA ' ' HB2' ' A' ' 566' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 110.353 -0.24 . . . . 1.0 110.353 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 579' ' ' ARG . . . . . 0.597 ' O ' ' O ' ' A' ' 565' ' ' MET . 2.4 mmt85 -136.32 166.52 23.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 1.0 110.278 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 580' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -89.33 136.29 33.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 1.0 110.965 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 581' ' ' PHE . . . . . 0.547 ' CG ' ' HE1' ' A' ' 565' ' ' MET . 0.6 OUTLIER -120.44 166.77 13.12 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.442 1.089 . . . . 1.0 111.008 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 582' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -146.7 114.2 6.35 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.513 1.133 . . . . 1.0 111.051 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 583' ' ' LEU . . . . . 0.689 ' HB2' ' CZ3' ' A' ' 643' ' ' TRP . 5.7 tp -90.28 109.05 20.16 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.591 1.182 . . . . 1.0 109.343 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 584' ' ' PHE . . . . . 0.519 ' O ' HD13 ' A' ' 560' ' ' ILE . 0.5 OUTLIER -98.16 162.83 20.76 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.524 1.14 . . . . 1.0 110.956 -179.922 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 585' ' ' PRO . . . . . 0.533 ' HA ' ' CD1' ' A' ' 560' ' ' ILE . 18.4 Cg_endo -74.96 37.2 0.46 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.473 1.775 . . . . 1.0 111.064 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 586' ' ' ASN . . . . . 0.746 ' O ' ' HG3' ' A' ' 603' ' ' MET . 12.9 m-20 167.16 -48.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.424 1.077 . . . . 1.0 109.335 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 587' ' ' ARG . . . . . 0.574 ' HA ' ' HA ' ' A' ' 602' ' ' THR . 0.0 OUTLIER -98.88 -168.28 1.61 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.562 1.164 . . . . 1.0 110.309 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 588' ' ' LEU . . . . . 0.513 ' CD1' ' C ' ' A' ' 588' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.604 1.19 . . . . 1.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.216 -0.661 . . . . 1.0 109.216 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 602' ' ' THR . . . . . 0.574 ' HA ' ' HA ' ' A' ' 587' ' ' ARG . 0.2 OUTLIER -109.01 -146.52 0.4 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 1.0 110.37 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 603' ' ' MET . . . . . 0.746 ' HG3' ' O ' ' A' ' 586' ' ' ASN . 0.0 OUTLIER -136.75 26.79 3.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 1.0 110.977 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -125.06 56.76 1.32 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 1.0 110.326 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 605' ' ' GLU . . . . . 0.486 ' O ' ' C ' ' A' ' 606' ' ' ILE . 2.8 pt-20 -158.26 -58.58 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 1.0 110.226 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 606' ' ' ILE . . . . . 0.928 ' CG2' ' CD2' ' A' ' 651' ' ' TYR . 1.3 mp -33.43 133.71 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 1.0 109.277 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 607' ' ' GLN . . . . . 0.468 ' CG ' ' CB ' ' A' ' 625' ' ' ARG . 0.0 OUTLIER -88.85 -37.07 15.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.57 1.168 . . . . 1.0 110.199 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -174.52 137.41 0.49 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 1.0 109.969 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 609' ' ' VAL . . . . . 0.569 ' CG2' ' CD ' ' A' ' 644' ' ' LYS . 3.6 p -106.36 141.79 20.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.595 1.184 . . . . 1.0 109.343 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 610' ' ' GLU . . . . . 0.5 ' HG3' ' CD2' ' A' ' 621' ' ' LEU . 0.4 OUTLIER -159.1 -165.85 1.7 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 1.0 110.273 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 611' ' ' GLU . . . . . 0.499 ' CG ' ' O ' ' A' ' 619' ' ' CYS . 21.4 tt0 -146.23 144.65 30.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 1.0 110.254 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 612' ' ' THR . . . . . 0.551 ' C ' ' HB3' ' A' ' 618' ' ' LYS . 0.0 OUTLIER -106.58 164.81 11.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 1.0 110.404 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -129.53 161.68 29.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.408 1.068 . . . . 1.0 110.274 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 614' ' ' ILE . . . . . 0.755 ' O ' ' CG2' ' A' ' 614' ' ' ILE . 0.0 OUTLIER -146.42 83.28 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.579 1.174 . . . . 1.0 109.299 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 615' ' ' LYS . . . . . 0.45 ' HB3' ' O ' ' A' ' 614' ' ' ILE . 1.7 ttpm? 81.28 -31.97 0.11 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.503 1.127 . . . . 1.0 109.305 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 616' ' ' GLU . . . . . 0.439 ' H ' ' C ' ' A' ' 614' ' ' ILE . 2.2 tt0 -156.56 -48.55 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.422 1.076 . . . . 1.0 110.309 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 617' ' ' ARG . . . . . 0.588 ' CZ ' ' OD1' ' A' ' 637' ' ' ASP . 1.9 ttt180 -157.74 137.81 12.5 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.437 1.086 . . . . 1.0 110.307 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 618' ' ' LYS . . . . . 0.551 ' HB3' ' C ' ' A' ' 612' ' ' THR . 8.6 tptt -115.67 -96.5 0.46 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.59 1.181 . . . . 1.0 109.237 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 619' ' ' CYS . . . . . 0.499 ' O ' ' CG ' ' A' ' 611' ' ' GLU . 1.7 m -158.2 -174.87 5.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.559 1.162 . . . . 1.0 108.264 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 620' ' ' LEU . . . . . 0.622 HD11 ' CD1' ' A' ' 640' ' ' LEU . 0.2 OUTLIER -95.91 153.37 17.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.396 1.06 . . . . 1.0 109.298 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 621' ' ' LEU . . . . . 0.5 ' CD2' ' HG3' ' A' ' 610' ' ' GLU . 1.1 tp -112.36 157.54 20.88 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.543 1.152 . . . . 1.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 622' ' ' LEU . . . . . 0.508 ' CD2' ' HE2' ' A' ' 651' ' ' TYR . 9.0 mt -154.87 86.66 1.12 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 1.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 623' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.43 135.21 33.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.552 1.157 . . . . 1.0 109.328 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 624' ' ' ILE . . . . . 0.771 ' HA ' ' HA ' ' A' ' 606' ' ' ILE . 36.3 mt -104.42 142.21 18.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.445 1.091 . . . . 1.0 109.262 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 625' ' ' ARG . . . . . 0.468 ' CB ' ' CG ' ' A' ' 607' ' ' GLN . 0.4 OUTLIER -78.8 3.55 16.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 1.0 110.349 179.892 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 626' ' ' GLY . . . . . 0.437 ' H ' ' CG2' ' A' ' 624' ' ' ILE . . . -88.03 -25.25 32.24 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.501 1.126 . . . . 1.0 111.018 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 121.26 40.66 0.54 Allowed Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.987 -0.845 . . . . 1.0 110.987 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 628' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.53 172.5 13.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 0.789 . . . . 1.0 109.268 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 5.2 mp0 -144.73 152.69 40.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 1.0 110.311 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 630' ' ' PHE . . . . . 0.658 ' CD1' ' HE2' ' A' ' 567' ' ' LYS . 0.8 OUTLIER -136.37 159.75 40.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 1.0 110.961 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 631' ' ' ILE . . . . . 0.461 ' O ' ' CG2' ' A' ' 631' ' ' ILE . 0.2 OUTLIER -144.68 108.29 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.613 1.195 . . . . 1.0 109.295 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 632' ' ' LEU . . . . . 0.53 ' CD1' HD21 ' A' ' 620' ' ' LEU . 0.6 OUTLIER -84.07 151.76 24.76 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.389 1.055 . . . . 1.0 109.296 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 633' ' ' GLN . . . . . 0.495 ' HB2' ' SG ' ' A' ' 619' ' ' CYS . 52.2 tt0 -148.86 100.62 3.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.098 . . . . 1.0 110.339 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 634' ' ' CYS . . . . . . . . . . . . . 5.5 t -115.39 159.86 20.58 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.545 1.153 . . . . 1.0 108.317 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 635' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -82.94 -16.35 47.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 1.0 109.362 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 636' ' ' SER . . . . . 0.601 ' HB2' ' HB2' ' A' ' 639' ' ' GLU . 13.4 m -92.95 150.81 20.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 1.0 110.011 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 637' ' ' ASP . . . . . 0.677 ' N ' ' CD ' ' A' ' 638' ' ' PRO . 0.4 OUTLIER -90.13 -41.96 0.41 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 1.0 109.275 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 638' ' ' PRO . . . . . 0.677 ' CD ' ' N ' ' A' ' 637' ' ' ASP . 18.5 Cg_endo -75.02 -54.91 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.541 1.811 . . . . 1.0 110.99 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 639' ' ' GLU . . . . . 0.601 ' HB2' ' HB2' ' A' ' 636' ' ' SER . 74.0 mm-40 -24.8 -79.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 1.0 110.297 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 640' ' ' LEU . . . . . 0.622 ' CD1' HD11 ' A' ' 620' ' ' LEU . 0.1 OUTLIER -50.15 -47.82 54.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.405 1.066 . . . . 1.0 109.278 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 641' ' ' VAL . . . . . 0.516 ' CG1' ' N ' ' A' ' 642' ' ' GLN . 0.8 OUTLIER -44.94 -57.88 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 1.0 109.337 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 642' ' ' GLN . . . . . 0.529 ' HB3' ' CE ' ' A' ' 561' ' ' MET . 0.8 OUTLIER -63.07 -38.94 93.17 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.53 1.144 . . . . 1.0 110.324 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 643' ' ' TRP . . . . . 0.689 ' CZ3' ' HB2' ' A' ' 583' ' ' LEU . 14.8 m95 -55.23 -47.16 75.78 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 107.948 -1.131 . . . . 1.0 107.948 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 644' ' ' LYS . . . . . 0.587 ' HA ' ' HB2' ' A' ' 647' ' ' LEU . 1.8 ttpt -54.69 -56.52 18.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 1.0 109.302 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 645' ' ' LYS . . . . . 0.404 ' HD3' ' C ' ' A' ' 645' ' ' LYS . 0.1 OUTLIER -41.02 -52.07 3.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 1.0 109.242 -179.91 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 646' ' ' GLU . . . . . 0.595 ' HG3' ' CG2' ' A' ' 560' ' ' ILE . 0.2 OUTLIER -71.02 -31.45 67.94 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.513 1.133 . . . . 1.0 110.256 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 647' ' ' LEU . . . . . 0.603 ' HG ' HD12 ' A' ' 583' ' ' LEU . 0.5 OUTLIER -70.77 -61.86 1.61 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.548 1.155 . . . . 1.0 109.249 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 648' ' ' ARG . . . . . 0.533 ' N ' ' O ' ' A' ' 644' ' ' LYS . 7.4 ttp180 -39.0 -54.28 1.69 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.452 1.095 . . . . 1.0 110.341 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 649' ' ' ASP . . . . . 0.42 ' O ' ' N ' ' A' ' 653' ' ' GLU . 0.2 OUTLIER -61.86 -51.44 68.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 1.0 109.319 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 650' ' ' ALA . . . . . 0.505 ' O ' ' SD ' ' A' ' 603' ' ' MET . . . -43.96 -51.05 7.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.145 . . . . 1.0 109.339 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 651' ' ' TYR . . . . . 0.928 ' CD2' ' CG2' ' A' ' 606' ' ' ILE . 12.4 m-30 -71.01 -41.52 70.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 1.0 110.953 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 652' ' ' ARG . . . . . 0.465 ' O ' ' N ' ' A' ' 655' ' ' GLN . 2.5 mmt180 -60.62 -63.34 1.33 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.411 1.069 . . . . 1.0 110.295 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 653' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 649' ' ' ASP . 1.5 mp0 -40.3 -53.11 2.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 1.0 110.361 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 654' ' ' ALA . . . . . 0.492 ' HB1' ' O ' ' A' ' 603' ' ' MET . . . -48.48 -42.35 32.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 1.0 109.222 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 655' ' ' GLN . . . . . 0.465 ' N ' ' O ' ' A' ' 652' ' ' ARG . 27.1 mt-30 . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.489 1.118 . . . . 1.0 110.281 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 N-CA-C 111.024 -0.83 . . . . 1.0 111.024 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 553' ' ' SER . . . . . . . . . . . . . 1.9 t 48.45 78.62 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 0.773 . . . . 1.0 110.033 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 554' ' ' HIS . . . . . 0.561 ' CD2' ' HG2' ' A' ' 555' ' ' MET . 16.3 p-80 -146.82 -60.93 0.29 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 1.0 109.587 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 555' ' ' MET . . . . . 0.561 ' HG2' ' CD2' ' A' ' 554' ' ' HIS . 2.0 ptt? -159.98 129.86 5.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 1.0 110.98 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . -128.32 -162.1 10.92 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.489 1.118 . . . . 1.0 110.966 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 557' ' ' LYS . . . . . 0.576 ' O ' ' HG3' ' A' ' 585' ' ' PRO . 38.3 tttt -156.83 103.42 2.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 0.772 . . . . 1.0 109.289 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 558' ' ' ASP . . . . . 0.581 ' O ' ' HD3' ' A' ' 585' ' ' PRO . 0.8 OUTLIER -77.94 -107.68 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 1.0 109.325 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 559' ' ' CYS . . . . . 0.607 ' SG ' ' CD2' ' A' ' 562' ' ' HIS . 43.2 t -70.61 105.72 3.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 1.0 108.328 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 560' ' ' ILE . . . . . 0.664 HG21 ' HG2' ' A' ' 646' ' ' GLU . 3.6 mt -79.26 -60.87 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 1.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 561' ' ' MET . . . . . 0.473 ' SD ' ' CD1' ' A' ' 643' ' ' TRP . 0.0 OUTLIER -134.94 132.6 38.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 1.0 111.003 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 562' ' ' HIS . . . . . 0.607 ' CD2' ' SG ' ' A' ' 559' ' ' CYS . 2.0 p80 -142.72 156.81 45.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 1.0 109.564 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 563' ' ' GLY . . . . . 0.478 ' O ' ' CD1' ' A' ' 580' ' ' TYR . . . 148.42 -157.41 27.3 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.537 1.148 . . . . 1.0 110.985 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 564' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -88.9 127.71 35.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.519 0.776 . . . . 1.0 110.982 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 565' ' ' MET . . . . . 0.556 ' CE ' ' CE3' ' A' ' 643' ' ' TRP . 0.0 OUTLIER -142.9 123.62 14.16 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 1.0 111.02 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 566' ' ' SER . . . . . 0.48 ' OG ' ' O ' ' A' ' 633' ' ' GLN . 0.4 OUTLIER -93.02 127.41 38.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 1.0 109.997 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 567' ' ' LYS . . . . . 0.538 ' O ' ' CB ' ' A' ' 568' ' ' MET . 0.0 OUTLIER -156.31 137.19 13.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.438 1.086 . . . . 1.0 109.322 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 568' ' ' MET . . . . . 0.538 ' CB ' ' O ' ' A' ' 567' ' ' LYS . 0.1 OUTLIER 157.57 -179.97 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 1.0 110.963 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 569' ' ' GLY . . . . . 0.469 ' O ' ' O ' ' A' ' 568' ' ' MET . . . 53.52 162.77 0.01 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.48 1.112 . . . . 1.0 111.017 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 570' ' ' ASN . . . . . 0.635 ' CB ' ' HD3' ' A' ' 571' ' ' PRO . 0.3 OUTLIER -168.88 -59.46 0.01 OUTLIER Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.504 0.767 . . . . 1.0 109.31 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 571' ' ' PRO . . . . . 0.635 ' HD3' ' CB ' ' A' ' 570' ' ' ASN . 18.3 Cg_endo -74.97 -24.19 13.13 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.52 1.8 . . . . 1.0 110.987 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 572' ' ' PHE . . . . . 0.483 ' CE2' ' HG2' ' A' ' 571' ' ' PRO . 1.3 m-85 -128.96 81.28 2.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 1.0 110.98 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 2.5 tp -86.15 82.84 7.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 1.0 109.285 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 574' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -123.01 -38.04 2.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 1.0 110.392 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 23.8 pt20 -144.38 118.74 9.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 1.0 110.275 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 576' ' ' TRP . . . . . 0.54 ' CD2' ' OE1' ' A' ' 633' ' ' GLN . 16.5 m-90 -86.96 171.26 10.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 1.0 108.004 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -137.82 131.08 30.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.11 . . . . 1.0 110.317 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 578' ' ' ARG . . . . . 0.428 ' HA ' ' HB2' ' A' ' 566' ' ' SER . 0.0 OUTLIER -89.11 124.28 34.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 1.0 110.302 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 579' ' ' ARG . . . . . 0.537 ' O ' ' O ' ' A' ' 565' ' ' MET . 7.8 mtt180 -137.35 156.43 48.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 1.0 110.313 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 580' ' ' TYR . . . . . 0.478 ' CD1' ' O ' ' A' ' 563' ' ' GLY . 0.4 OUTLIER -91.52 124.39 35.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 1.0 111.01 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 581' ' ' PHE . . . . . 0.545 ' CE1' ' HB2' ' A' ' 590' ' ' TRP . 68.1 m-85 -122.77 174.88 6.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 1.0 110.991 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 582' ' ' TYR . . . . . 0.539 ' O ' ' HA ' ' A' ' 588' ' ' LEU . 88.9 m-85 -149.4 113.97 5.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 1.0 111.009 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 583' ' ' LEU . . . . . 0.66 ' CD2' ' HB ' ' A' ' 560' ' ' ILE . 0.7 OUTLIER -87.75 111.69 21.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 1.0 109.331 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 584' ' ' PHE . . . . . 0.601 ' CD2' ' HD2' ' A' ' 585' ' ' PRO . 0.2 OUTLIER -99.13 -177.14 0.55 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 1.0 110.994 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 585' ' ' PRO . . . . . 0.601 ' HD2' ' CD2' ' A' ' 584' ' ' PHE . 18.3 Cg_endo -74.99 -6.08 17.61 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.502 1.791 . . . . 1.0 111.005 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 586' ' ' ASN . . . . . 0.615 ' HA ' ' CG ' ' A' ' 603' ' ' MET . 45.3 m-80 -165.58 -38.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 1.0 109.278 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 587' ' ' ARG . . . . . 0.554 ' HA ' ' HA ' ' A' ' 602' ' ' THR . 0.1 OUTLIER -90.18 -168.9 2.25 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.473 1.108 . . . . 1.0 110.286 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 588' ' ' LEU . . . . . 0.539 ' HA ' ' O ' ' A' ' 582' ' ' TYR . 0.1 OUTLIER 177.72 119.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 1.0 109.292 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 589' ' ' GLU . . . . . 0.483 ' OE1' ' CD2' ' A' ' 600' ' ' LEU . 0.3 OUTLIER -95.26 142.84 27.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 1.0 110.302 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 590' ' ' TRP . . . . . 0.545 ' HB2' ' CE1' ' A' ' 581' ' ' PHE . 11.4 p-90 -134.45 106.48 7.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.14 . . . . 1.0 108.049 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -136.15 -178.86 5.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 1.0 110.309 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . 153.56 -129.69 2.75 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.495 1.122 . . . . 1.0 110.982 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -83.65 171.29 13.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 0.789 . . . . 1.0 110.283 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . 83.19 -131.35 10.31 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.531 1.145 . . . . 1.0 110.988 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 595' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -178.3 164.32 1.73 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 0.754 . . . . 1.0 110.323 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . -175.44 156.16 1.8 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 1.0 109.28 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 597' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -31.3 6.32 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.466 1.772 . . . . 1.0 111.005 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 598' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -155.18 153.24 30.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 1.0 110.294 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 599' ' ' SER . . . . . 0.449 ' O ' ' CD1' ' A' ' 590' ' ' TRP . 60.1 p -155.08 51.84 0.61 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 1.0 109.982 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 600' ' ' LEU . . . . . 0.483 ' CD2' ' OE1' ' A' ' 589' ' ' GLU . 2.9 tm? -116.37 130.4 56.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 1.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -139.9 176.54 8.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 1.0 109.336 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 602' ' ' THR . . . . . 0.554 ' HA ' ' HA ' ' A' ' 587' ' ' ARG . 0.0 OUTLIER -123.74 -159.68 0.87 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 1.0 110.365 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 603' ' ' MET . . . . . 0.615 ' CG ' ' HA ' ' A' ' 586' ' ' ASN . 0.1 OUTLIER -131.74 38.5 3.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 1.0 111.008 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 604' ' ' GLU . . . . . 0.427 ' HB3' ' HB3' ' A' ' 654' ' ' ALA . 8.2 pt-20 -125.43 59.0 1.27 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 1.0 110.285 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 605' ' ' GLU . . . . . 0.545 ' O ' ' C ' ' A' ' 606' ' ' ILE . 2.6 pt-20 -158.05 -53.9 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 1.0 110.301 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 606' ' ' ILE . . . . . 0.807 ' CG2' ' CD2' ' A' ' 651' ' ' TYR . 0.9 OUTLIER -29.46 136.98 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 1.0 109.285 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 607' ' ' GLN . . . . . 0.562 ' HG2' ' CB ' ' A' ' 625' ' ' ARG . 0.0 OUTLIER -89.16 -39.95 13.23 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.496 1.123 . . . . 1.0 110.297 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 3.1 m -173.72 134.29 0.48 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 1.0 110.022 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 609' ' ' VAL . . . . . 0.624 ' CG2' ' CD ' ' A' ' 644' ' ' LYS . 3.6 p -107.11 135.36 45.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 1.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 610' ' ' GLU . . . . . 0.618 ' O ' ' N ' ' A' ' 621' ' ' LEU . 0.4 OUTLIER -161.31 169.22 22.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 1.0 110.292 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 611' ' ' GLU . . . . . 0.615 ' HA ' ' HA ' ' A' ' 620' ' ' LEU . 22.4 tt0 -120.88 146.87 46.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 1.0 110.257 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 612' ' ' THR . . . . . 0.459 ' N ' ' HG2' ' A' ' 611' ' ' GLU . 1.2 t -107.32 161.71 14.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 1.0 110.384 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 613' ' ' GLN . . . . . 0.432 ' HA ' ' N ' ' A' ' 618' ' ' LYS . 12.6 mp0 -130.07 168.25 17.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 1.0 110.234 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 614' ' ' ILE . . . . . 0.692 ' O ' ' CG2' ' A' ' 614' ' ' ILE . 0.1 OUTLIER -149.31 86.38 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 1.0 109.257 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 615' ' ' LYS . . . . . 0.456 ' HB3' ' O ' ' A' ' 614' ' ' ILE . 15.3 tttt 82.13 -32.98 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 1.0 109.306 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 616' ' ' GLU . . . . . 0.433 ' H ' ' C ' ' A' ' 614' ' ' ILE . 0.9 OUTLIER -156.38 -50.42 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 1.0 110.306 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 3.9 ttt-85 -155.86 142.21 18.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 1.0 110.294 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 618' ' ' LYS . . . . . 0.512 ' HG2' ' CD1' ' A' ' 614' ' ' ILE . 9.3 tptp -124.29 -98.55 0.42 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.474 1.109 . . . . 1.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 619' ' ' CYS . . . . . 0.448 ' HB3' ' O ' ' A' ' 632' ' ' LEU . 0.8 OUTLIER -155.96 175.81 13.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 1.0 108.291 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 620' ' ' LEU . . . . . 0.615 ' HA ' ' HA ' ' A' ' 611' ' ' GLU . 0.7 OUTLIER -89.54 167.21 13.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.15 . . . . 1.0 109.325 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 621' ' ' LEU . . . . . 0.618 ' N ' ' O ' ' A' ' 610' ' ' GLU . 0.3 OUTLIER -132.61 158.9 41.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 1.0 109.269 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 622' ' ' LEU . . . . . 0.677 ' CD2' HG12 ' A' ' 606' ' ' ILE . 0.3 OUTLIER -154.82 89.67 1.25 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 1.0 109.315 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 623' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.47 137.67 32.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 1.0 109.272 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 624' ' ' ILE . . . . . 0.662 ' HA ' ' HA ' ' A' ' 606' ' ' ILE . 90.9 mt -102.55 143.95 14.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 1.0 109.305 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 625' ' ' ARG . . . . . 0.562 ' CB ' ' HG2' ' A' ' 607' ' ' GLN . 21.5 ptt180 -78.87 3.27 17.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 1.0 110.3 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 626' ' ' GLY . . . . . 0.433 ' H ' ' CG2' ' A' ' 624' ' ' ILE . . . -84.41 -25.64 42.5 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.496 1.123 . . . . 1.0 111.048 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 125.05 -1.86 8.4 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 110.973 -0.851 . . . . 1.0 110.973 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 628' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.91 163.54 12.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 0.77 . . . . 1.0 109.259 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -141.81 152.96 44.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 1.0 110.273 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 630' ' ' PHE . . . . . 0.458 ' HB3' ' CG ' ' A' ' 567' ' ' LYS . 20.6 m-85 -141.44 146.43 36.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 1.0 111.024 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 631' ' ' ILE . . . . . 0.499 ' CG2' ' O ' ' A' ' 631' ' ' ILE . 0.2 OUTLIER -105.37 112.53 39.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 1.0 109.321 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 632' ' ' LEU . . . . . 0.527 ' HB2' ' HB3' ' A' ' 620' ' ' LEU . 0.2 OUTLIER -83.01 137.54 34.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 1.0 109.295 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 633' ' ' GLN . . . . . 0.54 ' OE1' ' CD2' ' A' ' 576' ' ' TRP . 41.2 tt0 -157.13 136.91 12.38 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.502 1.126 . . . . 1.0 110.281 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 634' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -157.49 161.59 38.87 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 1.0 108.275 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 635' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.17 -20.45 37.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.095 . . . . 1.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 636' ' ' SER . . . . . 0.526 ' CB ' ' CG ' ' A' ' 639' ' ' GLU . 4.5 m -88.12 138.09 31.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 1.0 110.03 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 637' ' ' ASP . . . . . 0.679 ' N ' ' CD ' ' A' ' 638' ' ' PRO . 1.1 m-20 -82.87 -41.66 0.87 Allowed Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 1.0 109.339 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 638' ' ' PRO . . . . . 0.679 ' CD ' ' N ' ' A' ' 637' ' ' ASP . 18.2 Cg_endo -75.03 -54.37 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.511 1.795 . . . . 1.0 110.955 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 639' ' ' GLU . . . . . 0.538 ' C ' ' O ' ' A' ' 638' ' ' PRO . 20.6 mm-40 -26.95 -79.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 1.0 110.316 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 640' ' ' LEU . . . . . 0.557 HD13 ' CD2' ' A' ' 620' ' ' LEU . 0.2 OUTLIER -48.82 -46.1 41.42 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.475 1.11 . . . . 1.0 109.28 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 641' ' ' VAL . . . . . 0.513 ' CG1' ' N ' ' A' ' 642' ' ' GLN . 0.8 OUTLIER -46.69 -58.03 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 1.0 109.284 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 642' ' ' GLN . . . . . 0.513 ' N ' ' CG1' ' A' ' 641' ' ' VAL . 0.0 OUTLIER -62.14 -41.58 98.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.132 . . . . 1.0 110.27 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 643' ' ' TRP . . . . . 0.562 ' CZ3' ' HB2' ' A' ' 583' ' ' LEU . 20.0 m95 -53.35 -47.93 68.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 1.0 108.009 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 644' ' ' LYS . . . . . 0.624 ' CD ' ' CG2' ' A' ' 609' ' ' VAL . 0.0 OUTLIER -57.49 -62.55 1.7 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 1.0 109.28 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 645' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 644' ' ' LYS . 0.1 OUTLIER -37.44 -57.58 0.91 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.439 1.087 . . . . 1.0 109.34 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 646' ' ' GLU . . . . . 0.664 ' HG2' HG21 ' A' ' 560' ' ' ILE . 2.4 mp0 -68.84 -32.41 72.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 1.0 110.297 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 647' ' ' LEU . . . . . 0.609 ' HB2' ' HA ' ' A' ' 644' ' ' LYS . 10.9 mt -67.8 -62.09 1.57 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.437 1.086 . . . . 1.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 648' ' ' ARG . . . . . 0.577 ' N ' ' O ' ' A' ' 644' ' ' LYS . 9.1 ttp-105 -38.24 -55.47 1.32 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 1.0 110.27 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 649' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -59.09 -46.09 89.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 1.0 109.312 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 650' ' ' ALA . . . . . 0.548 ' O ' ' SD ' ' A' ' 603' ' ' MET . . . -48.34 -51.22 27.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 1.0 109.283 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 651' ' ' TYR . . . . . 0.807 ' CD2' ' CG2' ' A' ' 606' ' ' ILE . 2.1 m-30 -72.29 -38.83 68.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 1.0 110.994 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 652' ' ' ARG . . . . . 0.507 ' O ' ' HB2' ' A' ' 655' ' ' GLN . 0.0 OUTLIER -62.29 -64.55 0.89 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 1.0 110.282 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 653' ' ' GLU . . . . . 0.532 ' HA ' ' CG ' ' A' ' 656' ' ' GLN . 1.5 mt-10 -44.01 -53.96 5.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 1.0 110.307 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 654' ' ' ALA . . . . . 0.427 ' HB3' ' HB3' ' A' ' 604' ' ' GLU . . . -47.23 -38.6 12.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 1.0 109.288 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 655' ' ' GLN . . . . . 0.507 ' HB2' ' O ' ' A' ' 652' ' ' ARG . 60.9 mt-30 -69.54 -68.32 0.42 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 1.0 110.261 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 656' ' ' GLN . . . . . 0.532 ' CG ' ' HA ' ' A' ' 653' ' ' GLU . 10.3 pt20 -51.02 -21.44 1.8 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 1.0 110.309 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 657' ' ' LEU . . . . . 0.497 ' HB2' ' O ' ' A' ' 653' ' ' GLU . 8.7 mp -86.55 -27.41 23.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 1.0 109.324 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 658' ' ' VAL . . . . . 0.468 ' N ' ' O ' ' A' ' 655' ' ' GLN . 3.2 p -108.02 13.65 8.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 1.0 109.261 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 659' ' ' GLN . . . . . 0.461 ' N ' ' O ' ' A' ' 655' ' ' GLN . 0.0 OUTLIER -64.22 -59.13 4.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 1.0 110.318 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 660' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.07 65.85 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 1.0 110.308 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 661' ' ' VAL . . . . . 0.418 ' N ' ' O ' ' A' ' 659' ' ' GLN . 7.5 p -111.65 109.75 55.48 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.094 . . . . 1.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 662' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 127.18 10.51 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.519 1.799 . . . . 1.0 111.026 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -87.77 70.53 9.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.145 . . . . 1.0 109.313 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 664' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 61.64 85.14 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 1.0 110.999 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 665' ' ' LYS . . . . . 0.421 ' O ' ' CB ' ' A' ' 666' ' ' ASN . 3.7 tttt -151.16 -62.66 0.18 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 1.0 109.267 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 666' ' ' ASN . . . . . 0.421 ' CB ' ' O ' ' A' ' 665' ' ' LYS . 8.0 t-20 75.95 -58.11 0.55 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 1.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 20.5 tttm 48.07 91.42 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 1.0 109.324 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 668' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 58.58 4.91 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.439 1.757 . . . . 1.0 111.02 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 63.04 153.47 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 1.0 110.322 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 5.4 t . . . . . 0 C--O 1.25 1.094 0 CA-C-O 116.976 -1.487 . . . . 1.0 110.023 179.979 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.065 0 N-CA-C 110.993 -0.843 . . . . 1.0 110.993 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 553' ' ' SER . . . . . . . . . . . . . 4.7 m -149.4 158.44 44.18 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.504 0.767 . . . . 1.0 110.019 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 554' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -101.76 172.95 6.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 1.0 109.548 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 555' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -131.14 164.23 25.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 1.0 111.006 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . -121.24 -143.64 6.73 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.547 1.154 . . . . 1.0 110.992 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 31.1 tttt -130.61 -106.46 0.28 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.499 0.764 . . . . 1.0 109.256 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 558' ' ' ASP . . . . . 0.736 ' O ' ' CE2' ' A' ' 584' ' ' PHE . 25.0 t0 -152.49 22.81 0.62 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 1.0 109.346 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 559' ' ' CYS . . . . . . . . . . . . . 2.9 t -170.3 128.48 0.85 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 1.0 108.279 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 560' ' ' ILE . . . . . 0.705 ' HB ' ' CD2' ' A' ' 583' ' ' LEU . 11.1 mt -101.44 -57.56 4.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 1.0 109.319 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 561' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -147.48 150.85 35.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 1.0 111.019 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 562' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -150.42 151.77 33.3 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.444 1.09 . . . . 1.0 109.638 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 563' ' ' GLY . . . . . 0.411 ' N ' ' HZ2' ' A' ' 643' ' ' TRP . . . 166.06 -163.5 36.84 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.534 1.146 . . . . 1.0 111.035 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 564' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -94.16 126.61 39.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 0.734 . . . . 1.0 110.991 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 565' ' ' MET . . . . . 0.579 ' O ' ' O ' ' A' ' 579' ' ' ARG . 20.8 mtm -144.44 148.64 34.85 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.476 1.11 . . . . 1.0 110.976 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 566' ' ' SER . . . . . 0.497 ' OG ' ' O ' ' A' ' 633' ' ' GLN . 0.1 OUTLIER -112.51 133.1 54.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 1.0 109.959 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 567' ' ' LYS . . . . . 0.616 ' HD3' ' CD1' ' A' ' 630' ' ' PHE . 2.0 tmmt? -160.34 146.81 15.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 1.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 568' ' ' MET . . . . . 0.416 ' N ' ' HG2' ' A' ' 567' ' ' LYS . 0.1 OUTLIER -162.17 171.94 16.6 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.432 1.083 . . . . 1.0 110.982 179.928 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 569' ' ' GLY . . . . . 0.411 ' C ' ' CG ' ' A' ' 570' ' ' ASN . . . -169.09 125.01 1.22 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.469 1.106 . . . . 1.0 110.979 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 570' ' ' ASN . . . . . 0.572 ' CB ' ' CD ' ' A' ' 571' ' ' PRO . 0.0 OUTLIER -166.24 -178.45 0.71 Allowed Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.419 0.717 . . . . 1.0 109.263 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 571' ' ' PRO . . . . . 0.572 ' CD ' ' CB ' ' A' ' 570' ' ' ASN . 18.2 Cg_endo -75.1 15.13 0.78 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.487 1.783 . . . . 1.0 110.97 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 572' ' ' PHE . . . . . 0.543 ' CE2' ' HG2' ' A' ' 571' ' ' PRO . 22.6 m-85 -142.4 87.28 2.0 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.542 1.151 . . . . 1.0 110.938 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -85.25 83.75 7.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.423 1.077 . . . . 1.0 109.355 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 574' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -158.21 -16.5 0.08 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.455 1.097 . . . . 1.0 110.454 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 575' ' ' GLN . . . . . 0.404 ' O ' ' CD1' ' A' ' 576' ' ' TRP . 5.6 pt20 -107.33 153.64 22.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.085 . . . . 1.0 110.308 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 576' ' ' TRP . . . . . 0.404 ' CD1' ' O ' ' A' ' 575' ' ' GLN . 1.3 m-90 -139.69 139.19 36.54 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.916 -1.142 . . . . 1.0 107.916 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -127.46 136.11 51.34 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.556 1.16 . . . . 1.0 110.265 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 578' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -96.37 118.92 33.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 1.0 110.292 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 579' ' ' ARG . . . . . 0.579 ' O ' ' O ' ' A' ' 565' ' ' MET . 1.3 mtt180 -137.84 168.87 18.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 1.0 110.269 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 580' ' ' TYR . . . . . 0.624 ' CD1' ' CE1' ' A' ' 582' ' ' TYR . 0.8 OUTLIER -89.34 127.69 35.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.4 1.062 . . . . 1.0 110.989 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 581' ' ' PHE . . . . . 0.559 ' CE2' ' HB3' ' A' ' 590' ' ' TRP . 2.7 m-85 -117.82 169.96 9.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 1.0 111.067 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 582' ' ' TYR . . . . . 0.624 ' CE1' ' CD1' ' A' ' 580' ' ' TYR . 39.8 m-85 -153.24 109.8 3.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 1.0 111.005 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 583' ' ' LEU . . . . . 0.712 HD23 ' HB3' ' A' ' 646' ' ' GLU . 1.0 OUTLIER -88.86 115.81 26.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 1.0 109.285 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 584' ' ' PHE . . . . . 0.736 ' CE2' ' O ' ' A' ' 558' ' ' ASP . 0.3 OUTLIER -104.88 179.05 1.0 Allowed Pre-proline 0 C--N 1.324 -0.534 0 O-C-N 124.584 1.178 . . . . 1.0 110.931 -179.955 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 585' ' ' PRO . . . . . 0.578 ' HD2' ' CD2' ' A' ' 584' ' ' PHE . 18.6 Cg_endo -74.98 -2.03 12.0 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.42 1.748 . . . . 1.0 110.935 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 586' ' ' ASN . . . . . 0.813 ' O ' ' HG3' ' A' ' 603' ' ' MET . 3.5 m120 -164.74 -41.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.421 1.075 . . . . 1.0 109.289 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 587' ' ' ARG . . . . . 0.608 ' HA ' ' HA ' ' A' ' 602' ' ' THR . 0.1 OUTLIER -91.36 -173.14 3.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 1.09 . . . . 1.0 110.327 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 588' ' ' LEU . . . . . 0.583 ' HA ' ' O ' ' A' ' 582' ' ' TYR . 0.1 OUTLIER 178.97 116.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.4 1.062 . . . . 1.0 109.311 -179.924 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 589' ' ' GLU . . . . . 0.436 ' N ' HD11 ' A' ' 588' ' ' LEU . 5.3 tt0 -94.54 142.2 27.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 1.0 110.246 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 590' ' ' TRP . . . . . 0.559 ' HB3' ' CE2' ' A' ' 581' ' ' PHE . 0.3 OUTLIER -141.68 95.72 2.86 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 107.985 -1.117 . . . . 1.0 107.985 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 591' ' ' ARG . . . . . 0.465 ' NH1' ' O ' ' A' ' 597' ' ' PRO . 1.5 mmt180 -139.04 -173.7 3.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.438 1.086 . . . . 1.0 110.348 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . -175.22 -175.09 42.37 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.409 1.068 . . . . 1.0 110.995 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -66.73 176.9 1.79 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 0.777 . . . . 1.0 110.348 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . 92.85 -103.19 3.02 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.428 1.08 . . . . 1.0 111.01 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 595' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -175.21 145.99 0.81 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.466 0.744 . . . . 1.0 110.301 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . 177.33 160.42 0.53 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.416 1.073 . . . . 1.0 109.3 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 597' ' ' PRO . . . . . 0.465 ' O ' ' NH1' ' A' ' 591' ' ' ARG . 18.3 Cg_endo -74.98 -163.55 0.19 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.471 1.774 . . . . 1.0 110.981 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 598' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.57 120.7 26.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 1.0 110.335 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 599' ' ' SER . . . . . 0.465 ' HB2' ' CE2' ' A' ' 590' ' ' TRP . 74.5 p -126.77 89.43 2.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 1.0 110.048 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -138.99 107.31 5.79 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.412 1.07 . . . . 1.0 109.352 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 1.1 tp -108.54 -174.92 2.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 1.0 109.266 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 602' ' ' THR . . . . . 0.608 ' HA ' ' HA ' ' A' ' 587' ' ' ARG . 0.1 OUTLIER -114.29 -162.72 0.83 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 1.0 110.398 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 603' ' ' MET . . . . . 0.813 ' HG3' ' O ' ' A' ' 586' ' ' ASN . 0.0 OUTLIER -123.77 39.16 4.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 1.0 111.045 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 604' ' ' GLU . . . . . 0.473 ' HA ' ' HB2' ' A' ' 654' ' ' ALA . 13.6 pt-20 -125.89 58.23 1.34 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.45 1.094 . . . . 1.0 110.231 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 605' ' ' GLU . . . . . 0.508 ' O ' ' C ' ' A' ' 606' ' ' ILE . 4.0 pt-20 -158.7 -53.55 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 1.0 110.254 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 606' ' ' ILE . . . . . 0.85 ' CG2' ' CD2' ' A' ' 651' ' ' TYR . 0.9 OUTLIER -32.43 139.41 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.437 1.086 . . . . 1.0 109.349 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 607' ' ' GLN . . . . . 0.565 ' HG3' ' HA ' ' A' ' 625' ' ' ARG . 0.6 OUTLIER -92.79 -37.67 12.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 1.0 110.335 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 608' ' ' SER . . . . . 0.42 ' HB2' ' HD3' ' A' ' 623' ' ' LYS . 3.4 m -174.05 135.24 0.47 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.383 1.052 . . . . 1.0 110.019 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 609' ' ' VAL . . . . . 0.547 ' CG2' ' CD ' ' A' ' 644' ' ' LYS . 3.2 p -109.34 138.98 34.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.539 1.149 . . . . 1.0 109.261 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 610' ' ' GLU . . . . . 0.493 ' HG3' ' CD2' ' A' ' 621' ' ' LEU . 0.1 OUTLIER -158.71 -163.71 1.3 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.631 1.207 . . . . 1.0 110.347 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 611' ' ' GLU . . . . . 0.524 ' HA ' ' HA ' ' A' ' 620' ' ' LEU . 21.2 tt0 -140.54 147.33 39.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.568 1.168 . . . . 1.0 110.324 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 612' ' ' THR . . . . . 0.558 ' C ' ' HB3' ' A' ' 618' ' ' LYS . 0.0 OUTLIER -111.65 163.71 13.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 1.0 110.431 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 7.8 mp0 -129.56 165.39 21.8 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.548 1.155 . . . . 1.0 110.344 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 614' ' ' ILE . . . . . 0.713 ' O ' ' CG2' ' A' ' 614' ' ' ILE . 0.1 OUTLIER -148.87 83.95 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.569 1.168 . . . . 1.0 109.279 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 615' ' ' LYS . . . . . 0.432 ' HB2' ' O ' ' A' ' 614' ' ' ILE . 0.1 OUTLIER 81.51 -32.92 0.1 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.512 1.132 . . . . 1.0 109.242 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 616' ' ' GLU . . . . . 0.44 ' H ' ' C ' ' A' ' 614' ' ' ILE . 3.0 tt0 -156.92 -47.95 0.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.581 1.176 . . . . 1.0 110.296 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 617' ' ' ARG . . . . . 0.524 ' CZ ' ' OD2' ' A' ' 637' ' ' ASP . 1.2 ttt180 -156.09 138.95 15.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.133 . . . . 1.0 110.215 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 618' ' ' LYS . . . . . 0.558 ' HB3' ' C ' ' A' ' 612' ' ' THR . 7.5 tptt -119.2 -98.2 0.45 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.153 . . . . 1.0 109.267 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 619' ' ' CYS . . . . . 0.498 ' HB3' ' O ' ' A' ' 632' ' ' LEU . 39.4 m -156.6 -171.42 3.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.571 1.17 . . . . 1.0 108.286 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 620' ' ' LEU . . . . . 0.575 ' CD1' ' CD1' ' A' ' 640' ' ' LEU . 0.1 OUTLIER -96.66 147.35 23.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.595 1.184 . . . . 1.0 109.263 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 621' ' ' LEU . . . . . 0.493 ' CD2' ' HG3' ' A' ' 610' ' ' GLU . 7.1 tp -102.37 156.95 17.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 1.0 109.369 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 622' ' ' LEU . . . . . 0.673 ' CD2' HG12 ' A' ' 606' ' ' ILE . 0.7 OUTLIER -160.25 84.6 0.72 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.57 1.169 . . . . 1.0 109.365 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 623' ' ' LYS . . . . . 0.42 ' HD3' ' HB2' ' A' ' 608' ' ' SER . 0.0 OUTLIER -90.23 136.18 33.21 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.546 1.154 . . . . 1.0 109.272 -179.946 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 624' ' ' ILE . . . . . 0.637 ' HA ' ' HA ' ' A' ' 606' ' ' ILE . 1.7 mm -98.68 143.94 12.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.431 1.082 . . . . 1.0 109.266 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 625' ' ' ARG . . . . . 0.565 ' HA ' ' HG3' ' A' ' 607' ' ' GLN . 0.0 OUTLIER -78.51 3.46 15.93 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.432 1.082 . . . . 1.0 110.306 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 626' ' ' GLY . . . . . . . . . . . . . . . -87.03 -29.81 21.97 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.526 1.141 . . . . 1.0 110.955 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 133.36 -6.52 4.98 Favored Glycine 0 CA--C 1.531 1.045 0 N-CA-C 111.029 -0.828 . . . . 1.0 111.029 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 628' ' ' LYS . . . . . . . . . . . . . 21.4 mtmt -98.67 167.15 10.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 0.753 . . . . 1.0 109.259 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -140.33 142.32 35.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 1.0 110.247 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 630' ' ' PHE . . . . . 0.616 ' CD1' ' HD3' ' A' ' 567' ' ' LYS . 0.5 OUTLIER -132.7 159.38 39.82 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.574 1.171 . . . . 1.0 111.001 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 631' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -137.87 125.05 28.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.382 1.051 . . . . 1.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 632' ' ' LEU . . . . . 0.498 ' O ' ' HB3' ' A' ' 619' ' ' CYS . 0.4 OUTLIER -93.52 152.01 19.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 1.0 109.305 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 633' ' ' GLN . . . . . 0.497 ' O ' ' OG ' ' A' ' 566' ' ' SER . 8.0 tp60 -155.34 114.92 3.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.098 . . . . 1.0 110.35 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 634' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -126.35 159.74 32.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.159 . . . . 1.0 108.328 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 635' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.77 -22.29 46.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 1.0 109.226 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 636' ' ' SER . . . . . 0.569 ' HB2' ' CG ' ' A' ' 639' ' ' GLU . 1.5 m -90.14 157.03 17.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 1.0 109.99 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 637' ' ' ASP . . . . . 0.693 ' N ' ' CD ' ' A' ' 638' ' ' PRO . 0.3 OUTLIER -91.77 -40.86 0.37 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 1.0 109.337 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 638' ' ' PRO . . . . . 0.693 ' CD ' ' N ' ' A' ' 637' ' ' ASP . 18.5 Cg_endo -74.99 -55.54 0.07 OUTLIER 'Trans proline' 0 C--N 1.358 1.07 0 O-C-N 124.485 1.781 . . . . 1.0 111.04 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 639' ' ' GLU . . . . . 0.584 ' C ' ' O ' ' A' ' 638' ' ' PRO . 13.8 mm-40 -23.05 -83.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 1.0 110.336 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 640' ' ' LEU . . . . . 0.575 ' CD1' ' CD1' ' A' ' 620' ' ' LEU . 0.2 OUTLIER -47.83 -46.72 31.22 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.537 1.148 . . . . 1.0 109.349 179.927 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 641' ' ' VAL . . . . . 0.518 ' N ' ' O ' ' A' ' 638' ' ' PRO . 0.8 OUTLIER -46.23 -57.3 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 1.0 109.331 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 642' ' ' GLN . . . . . 0.51 ' N ' ' CG1' ' A' ' 641' ' ' VAL . 0.0 OUTLIER -63.68 -41.45 98.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 1.0 110.24 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 643' ' ' TRP . . . . . 0.537 ' CE3' ' HE3' ' A' ' 565' ' ' MET . 19.5 m95 -53.66 -46.2 70.51 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.567 1.167 . . . . 1.0 108.007 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 644' ' ' LYS . . . . . 0.547 ' CD ' ' CG2' ' A' ' 609' ' ' VAL . 0.1 OUTLIER -56.18 -59.08 5.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 1.0 109.291 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 645' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 644' ' ' LYS . 0.1 OUTLIER -38.9 -54.38 1.65 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 1.0 109.292 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 646' ' ' GLU . . . . . 0.712 ' HB3' HD23 ' A' ' 583' ' ' LEU . 0.2 OUTLIER -70.06 -35.11 74.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.588 1.18 . . . . 1.0 110.346 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 647' ' ' LEU . . . . . 0.592 HD21 ' CE1' ' A' ' 651' ' ' TYR . 5.4 mt -65.65 -60.39 2.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 1.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 648' ' ' ARG . . . . . 0.529 ' N ' ' O ' ' A' ' 644' ' ' LYS . 2.5 ttm180 -39.58 -51.91 2.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 1.0 110.291 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 649' ' ' ASP . . . . . 0.492 ' O ' ' N ' ' A' ' 653' ' ' GLU . 12.7 t0 -61.36 -42.07 98.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 1.0 109.352 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 650' ' ' ALA . . . . . 0.502 ' HB2' ' CB ' ' A' ' 603' ' ' MET . . . -53.28 -53.69 47.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 1.0 109.325 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 651' ' ' TYR . . . . . 0.85 ' CD2' ' CG2' ' A' ' 606' ' ' ILE . 5.9 m-30 -67.93 -29.38 68.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 1.0 110.972 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 652' ' ' ARG . . . . . 0.534 ' O ' ' HG2' ' A' ' 655' ' ' GLN . 0.0 OUTLIER -76.57 -70.73 0.43 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 1.0 110.273 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 653' ' ' GLU . . . . . 0.492 ' N ' ' O ' ' A' ' 649' ' ' ASP . 34.1 mt-10 -36.25 -33.17 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.424 1.077 . . . . 1.0 110.286 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 654' ' ' ALA . . . . . 0.496 ' HA ' ' CD1' ' A' ' 657' ' ' LEU . . . -79.01 -51.04 10.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.087 . . . . 1.0 109.245 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 655' ' ' GLN . . . . . 0.534 ' HG2' ' O ' ' A' ' 652' ' ' ARG . 1.1 pt20 -49.2 -40.05 32.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.103 . . . . 1.0 110.185 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 656' ' ' GLN . . . . . 0.507 ' N ' ' HG3' ' A' ' 655' ' ' GLN . 1.0 OUTLIER -62.71 -16.17 56.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 1.0 110.295 -179.913 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 657' ' ' LEU . . . . . 0.496 ' CD1' ' HA ' ' A' ' 654' ' ' ALA . 5.3 mt -88.12 -34.88 17.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 1.0 109.239 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 658' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -104.71 17.93 5.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.573 1.17 . . . . 1.0 109.257 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 659' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.79 45.33 1.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.418 1.074 . . . . 1.0 110.368 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 660' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -86.95 14.24 7.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 1.0 110.231 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 661' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -80.56 114.43 47.66 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.488 1.117 . . . . 1.0 109.229 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 662' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -179.31 4.87 Favored 'Trans proline' 0 C--N 1.359 1.084 0 O-C-N 124.433 1.754 . . . . 1.0 110.876 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 6.9 pttt -101.06 -36.28 9.05 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.534 1.146 . . . . 1.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 664' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -162.56 57.26 0.22 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.52 1.138 . . . . 1.0 110.901 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.61 62.66 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.578 1.174 . . . . 1.0 109.262 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 666' ' ' ASN . . . . . . . . . . . . . 37.9 t30 -96.15 67.25 2.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 1.0 109.291 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 2.9 ptmm? -67.5 147.52 98.76 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.43 1.081 . . . . 1.0 109.325 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 668' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 55.85 4.04 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.466 1.771 . . . . 1.0 110.948 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 6.7 ttt180 55.83 167.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.571 1.17 . . . . 1.0 110.366 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 16.8 t . . . . . 0 C--O 1.25 1.085 0 CA-C-O 117.039 -1.457 . . . . 1.0 109.922 -179.937 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 111.005 -0.838 . . . . 1.0 111.005 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 553' ' ' SER . . . . . . . . . . . . . 14.4 m 66.02 117.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.558 0.799 . . . . 1.0 109.954 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 554' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -175.29 72.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.551 1.157 . . . . 1.0 109.625 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 555' ' ' MET . . . . . . . . . . . . . 18.7 mmt -153.89 149.78 27.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 1.0 110.963 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . 160.89 166.5 19.76 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.462 1.101 . . . . 1.0 110.93 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 5.6 tmtt? -152.57 70.45 0.9 Allowed 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.473 0.749 . . . . 1.0 109.29 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 558' ' ' ASP . . . . . 0.49 ' O ' ' HD3' ' A' ' 585' ' ' PRO . 6.0 p-10 -155.16 108.39 2.8 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.409 1.068 . . . . 1.0 109.235 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 559' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -69.15 141.57 54.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 1.0 108.349 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 560' ' ' ILE . . . . . 0.649 HD13 ' HA ' ' A' ' 585' ' ' PRO . 7.5 mt -84.61 -53.97 9.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.449 1.093 . . . . 1.0 109.32 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 561' ' ' MET . . . . . 0.51 ' HB2' ' OE1' ' A' ' 646' ' ' GLU . 0.0 OUTLIER -140.63 162.36 35.58 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.618 1.199 . . . . 1.0 111.034 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 562' ' ' HIS . . . . . . . . . . . . . 2.6 p80 -155.79 174.72 14.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.099 . . . . 1.0 109.626 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 563' ' ' GLY . . . . . . . . . . . . . . . 132.37 -161.49 23.93 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.441 1.088 . . . . 1.0 111.019 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 564' ' ' TYR . . . . . 0.41 ' HE1' ' CA ' ' A' ' 579' ' ' ARG . 0.2 OUTLIER -91.47 127.64 36.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.583 0.814 . . . . 1.0 111.024 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 565' ' ' MET . . . . . 0.588 ' O ' ' O ' ' A' ' 579' ' ' ARG . 0.0 OUTLIER -143.67 131.57 21.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 1.0 111.018 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 566' ' ' SER . . . . . 0.455 ' HB2' ' HA ' ' A' ' 578' ' ' ARG . 0.2 OUTLIER -105.78 140.03 39.45 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.591 1.182 . . . . 1.0 109.978 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 567' ' ' LYS . . . . . 0.598 ' HD3' ' CD1' ' A' ' 630' ' ' PHE . 0.8 OUTLIER -160.69 157.51 27.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 1.0 109.242 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 568' ' ' MET . . . . . 0.499 ' CE ' ' OE1' ' A' ' 633' ' ' GLN . 0.1 OUTLIER -179.14 175.61 0.95 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 1.0 111.03 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 569' ' ' GLY . . . . . 0.405 ' C ' ' CG ' ' A' ' 570' ' ' ASN . . . -174.66 120.75 0.8 Allowed Glycine 0 CA--C 1.531 1.085 0 O-C-N 124.473 1.108 . . . . 1.0 110.963 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 570' ' ' ASN . . . . . 0.493 ' C ' ' H ' ' A' ' 572' ' ' PHE . 0.0 OUTLIER -165.57 176.15 2.11 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.583 0.814 . . . . 1.0 109.242 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 571' ' ' PRO . . . . . 0.472 ' CD ' ' CB ' ' A' ' 570' ' ' ASN . 18.2 Cg_endo -75.11 22.23 0.43 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.469 1.773 . . . . 1.0 110.905 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 572' ' ' PHE . . . . . 0.493 ' H ' ' C ' ' A' ' 570' ' ' ASN . 18.7 m-85 -143.5 86.91 1.91 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 1.0 111.016 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -86.46 85.86 7.32 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.5 1.125 . . . . 1.0 109.355 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 574' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -159.79 -27.77 0.07 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.521 1.138 . . . . 1.0 110.474 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 575' ' ' GLN . . . . . 0.587 ' O ' ' CD1' ' A' ' 576' ' ' TRP . 14.6 pt20 -87.82 165.25 15.44 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.113 . . . . 1.0 110.234 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 576' ' ' TRP . . . . . 0.587 ' CD1' ' O ' ' A' ' 575' ' ' GLN . 2.5 m-90 -146.17 129.4 16.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.565 1.166 . . . . 1.0 107.984 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 577' ' ' GLN . . . . . 0.404 ' O ' ' HB2' ' A' ' 566' ' ' SER . 4.8 pt20 -119.47 113.81 21.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 1.0 110.318 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 578' ' ' ARG . . . . . 0.455 ' HA ' ' HB2' ' A' ' 566' ' ' SER . 0.1 OUTLIER -94.25 113.78 25.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 1.0 110.314 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 579' ' ' ARG . . . . . 0.588 ' O ' ' O ' ' A' ' 565' ' ' MET . 18.3 mtp180 -135.33 164.93 26.62 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.61 1.194 . . . . 1.0 110.332 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 580' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -89.08 129.3 35.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 1.0 110.92 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 581' ' ' PHE . . . . . 0.59 ' CZ ' ' HB3' ' A' ' 590' ' ' TRP . 2.7 m-85 -118.15 175.46 5.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.144 . . . . 1.0 111.048 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 582' ' ' TYR . . . . . 0.477 ' O ' ' HA ' ' A' ' 588' ' ' LEU . 60.6 m-85 -152.84 122.46 6.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 1.0 110.974 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 583' ' ' LEU . . . . . 0.775 ' HB2' ' CZ3' ' A' ' 643' ' ' TRP . 5.5 tp -92.59 114.65 27.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.147 . . . . 1.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 584' ' ' PHE . . . . . 0.556 ' HB2' ' C ' ' A' ' 587' ' ' ARG . 7.3 m-85 -106.58 172.59 3.76 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.419 1.075 . . . . 1.0 110.997 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 585' ' ' PRO . . . . . 0.649 ' HA ' HD13 ' A' ' 560' ' ' ILE . 18.1 Cg_endo -75.03 8.81 2.26 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.541 1.811 . . . . 1.0 111.007 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 586' ' ' ASN . . . . . 0.76 ' HA ' ' CG ' ' A' ' 603' ' ' MET . 39.1 m-20 -176.72 -38.81 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.524 1.14 . . . . 1.0 109.338 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 587' ' ' ARG . . . . . 0.66 ' HA ' ' HA ' ' A' ' 602' ' ' THR . 2.6 mtt-85 -87.91 -168.66 2.29 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 1.0 110.254 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 588' ' ' LEU . . . . . 0.477 ' HA ' ' O ' ' A' ' 582' ' ' TYR . 0.1 OUTLIER 179.45 109.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 1.0 109.348 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 589' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -91.22 147.11 23.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.458 1.099 . . . . 1.0 110.263 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 590' ' ' TRP . . . . . 0.59 ' HB3' ' CZ ' ' A' ' 581' ' ' PHE . 0.1 OUTLIER -149.71 94.67 2.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 1.0 107.993 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.86 -172.88 3.35 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.354 1.034 . . . . 1.0 110.352 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . -173.74 -166.74 32.43 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.511 1.132 . . . . 1.0 111.053 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 593' ' ' GLU . . . . . 0.43 ' CD ' ' C ' ' A' ' 593' ' ' GLU . 0.0 OUTLIER -85.5 178.55 7.38 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.506 0.768 . . . . 1.0 110.242 -179.939 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . 95.03 -101.82 2.77 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.507 1.13 . . . . 1.0 110.973 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 595' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -173.62 140.28 0.78 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.419 0.717 . . . . 1.0 110.279 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . 175.68 161.65 0.42 Allowed Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.483 1.115 . . . . 1.0 109.325 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 597' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -162.58 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.573 1.828 . . . . 1.0 110.938 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 598' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -85.05 131.2 34.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 1.0 110.319 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 599' ' ' SER . . . . . 0.472 ' HB3' ' CD2' ' A' ' 590' ' ' TRP . 15.9 m -133.62 92.05 2.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 1.0 109.99 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 600' ' ' LEU . . . . . 0.497 ' CD2' ' C ' ' A' ' 600' ' ' LEU . 0.0 OUTLIER -140.4 140.46 35.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 1.0 109.322 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 4.0 mt -142.14 -171.69 3.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 1.0 109.312 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 602' ' ' THR . . . . . 0.66 ' HA ' ' HA ' ' A' ' 587' ' ' ARG . 0.0 OUTLIER -114.23 -167.35 1.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 1.0 110.356 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 603' ' ' MET . . . . . 0.76 ' CG ' ' HA ' ' A' ' 586' ' ' ASN . 0.1 OUTLIER -127.05 34.78 4.69 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.399 1.062 . . . . 1.0 111.023 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 604' ' ' GLU . . . . . 0.528 ' HA ' ' HB2' ' A' ' 654' ' ' ALA . 3.9 pt-20 -124.84 60.96 1.17 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.44 1.088 . . . . 1.0 110.361 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 605' ' ' GLU . . . . . 0.494 ' O ' ' C ' ' A' ' 606' ' ' ILE . 3.7 pt-20 -159.29 -51.04 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.117 . . . . 1.0 110.271 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 606' ' ' ILE . . . . . 0.962 ' CG2' ' CD2' ' A' ' 651' ' ' TYR . 0.9 OUTLIER -33.84 142.28 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.549 1.156 . . . . 1.0 109.298 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 607' ' ' GLN . . . . . 0.623 ' HG2' ' CB ' ' A' ' 625' ' ' ARG . 0.0 OUTLIER -93.75 -38.94 11.02 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.524 1.14 . . . . 1.0 110.27 -179.931 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -173.46 136.76 0.61 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 1.0 109.901 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 609' ' ' VAL . . . . . 0.522 ' CG2' ' HD3' ' A' ' 644' ' ' LYS . 5.3 p -109.96 141.47 25.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 1.0 109.332 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 610' ' ' GLU . . . . . 0.524 ' HG3' ' CD2' ' A' ' 621' ' ' LEU . 0.4 OUTLIER -161.16 -169.65 2.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 1.0 110.306 -179.937 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 611' ' ' GLU . . . . . 0.599 ' HA ' ' HA ' ' A' ' 620' ' ' LEU . 26.2 tt0 -137.83 149.07 46.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.153 . . . . 1.0 110.328 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 612' ' ' THR . . . . . 0.548 ' C ' ' HB3' ' A' ' 618' ' ' LYS . 0.0 OUTLIER -114.74 165.99 12.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 1.0 110.339 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 10.7 mp0 -133.57 160.9 36.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 1.0 110.337 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 614' ' ' ILE . . . . . 0.666 ' O ' ' CG2' ' A' ' 614' ' ' ILE . 0.2 OUTLIER -144.84 86.09 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 O-C-N 124.562 1.164 . . . . 1.0 109.282 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 615' ' ' LYS . . . . . 0.412 ' CB ' ' O ' ' A' ' 614' ' ' ILE . 10.5 mmtm 81.9 -35.37 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.432 1.082 . . . . 1.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 616' ' ' GLU . . . . . 0.433 ' H ' ' C ' ' A' ' 614' ' ' ILE . 1.4 tt0 -155.6 -48.73 0.08 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.45 1.094 . . . . 1.0 110.288 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 5.6 ttt85 -153.41 138.11 16.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.57 1.169 . . . . 1.0 110.343 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 618' ' ' LYS . . . . . 0.556 ' HG2' ' CD1' ' A' ' 614' ' ' ILE . 9.3 tptt -118.83 -97.52 0.46 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.438 1.086 . . . . 1.0 109.242 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 619' ' ' CYS . . . . . 0.498 ' O ' ' CG ' ' A' ' 611' ' ' GLU . 18.0 m -158.36 -169.77 2.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 1.0 108.251 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 620' ' ' LEU . . . . . 0.599 ' HA ' ' HA ' ' A' ' 611' ' ' GLU . 0.1 OUTLIER -102.94 148.33 25.81 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.541 1.151 . . . . 1.0 109.299 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 621' ' ' LEU . . . . . 0.524 ' CD2' ' HG3' ' A' ' 610' ' ' GLU . 4.9 tp -103.5 156.54 17.69 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.486 1.116 . . . . 1.0 109.306 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 622' ' ' LEU . . . . . 0.612 ' CD2' HG12 ' A' ' 606' ' ' ILE . 0.9 OUTLIER -157.14 84.37 0.93 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.449 1.093 . . . . 1.0 109.305 179.934 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 623' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.28 138.26 31.59 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.534 1.146 . . . . 1.0 109.349 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 624' ' ' ILE . . . . . 0.639 ' HA ' ' HA ' ' A' ' 606' ' ' ILE . 35.9 mt -103.99 145.02 13.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 1.0 109.233 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 625' ' ' ARG . . . . . 0.623 ' CB ' ' HG2' ' A' ' 607' ' ' GLN . 5.0 ptm180 -79.91 2.17 24.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 1.0 110.338 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 626' ' ' GLY . . . . . . . . . . . . . . . -89.49 -21.33 41.1 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.492 1.12 . . . . 1.0 110.993 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 116.99 43.52 0.61 Allowed Glycine 0 CA--C 1.53 0.986 0 N-CA-C 110.976 -0.85 . . . . 1.0 110.976 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 628' ' ' LYS . . . . . . . . . . . . . 11.9 mttt -139.56 171.38 14.32 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.478 0.752 . . . . 1.0 109.303 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 15.9 mp0 -149.91 126.86 11.15 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.51 1.131 . . . . 1.0 110.337 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 630' ' ' PHE . . . . . 0.598 ' CD1' ' HD3' ' A' ' 567' ' ' LYS . 1.0 OUTLIER -123.53 167.78 13.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.425 1.078 . . . . 1.0 111.044 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 631' ' ' ILE . . . . . 0.503 ' O ' ' HG2' ' A' ' 567' ' ' LYS . 0.2 OUTLIER -144.64 115.67 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 1.0 109.248 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 632' ' ' LEU . . . . . 0.513 ' CG ' HD11 ' A' ' 622' ' ' LEU . 0.5 OUTLIER -84.03 154.28 23.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.563 1.165 . . . . 1.0 109.276 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 633' ' ' GLN . . . . . 0.499 ' OE1' ' CE ' ' A' ' 568' ' ' MET . 4.0 mt-30 -154.39 133.42 12.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 1.0 110.326 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 634' ' ' CYS . . . . . . . . . . . . . 1.6 t -155.45 162.53 40.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.535 1.147 . . . . 1.0 108.271 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 635' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -84.17 -16.68 42.61 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.112 . . . . 1.0 109.329 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 636' ' ' SER . . . . . 0.598 ' CB ' ' CG ' ' A' ' 639' ' ' GLU . 1.0 OUTLIER -86.93 133.66 33.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 1.0 109.941 -179.892 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 637' ' ' ASP . . . . . 0.662 ' N ' ' CD ' ' A' ' 638' ' ' PRO . 1.2 m-20 -78.29 -43.12 2.11 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.428 1.08 . . . . 1.0 109.319 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 638' ' ' PRO . . . . . 0.662 ' CD ' ' N ' ' A' ' 637' ' ' ASP . 18.0 Cg_endo -75.01 -51.18 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.592 1.838 . . . . 1.0 110.998 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 639' ' ' GLU . . . . . 0.598 ' CG ' ' CB ' ' A' ' 636' ' ' SER . 58.9 mm-40 -26.52 -80.66 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.487 1.117 . . . . 1.0 110.339 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 640' ' ' LEU . . . . . 0.578 ' CD1' ' CD1' ' A' ' 620' ' ' LEU . 0.2 OUTLIER -49.89 -45.37 50.67 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.489 1.118 . . . . 1.0 109.343 179.941 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 641' ' ' VAL . . . . . 0.514 ' CG1' ' N ' ' A' ' 642' ' ' GLN . 0.8 OUTLIER -47.24 -58.0 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.529 1.143 . . . . 1.0 109.29 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 642' ' ' GLN . . . . . 0.514 ' N ' ' CG1' ' A' ' 641' ' ' VAL . 1.1 tt0 -64.8 -38.5 91.19 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.55 1.156 . . . . 1.0 110.187 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 643' ' ' TRP . . . . . 0.775 ' CZ3' ' HB2' ' A' ' 583' ' ' LEU . 20.6 m95 -57.45 -41.65 80.93 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 1.0 108.049 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 644' ' ' LYS . . . . . 0.646 ' HA ' ' HB2' ' A' ' 647' ' ' LEU . 0.0 OUTLIER -60.15 -57.1 14.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 1.0 109.365 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 645' ' ' LYS . . . . . 0.402 ' HD3' ' C ' ' A' ' 645' ' ' LYS . 0.1 OUTLIER -40.7 -51.26 3.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 1.0 109.332 179.942 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 646' ' ' GLU . . . . . 0.612 ' HB2' HD21 ' A' ' 583' ' ' LEU . 5.5 mt-10 -75.54 -33.49 60.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 1.0 110.21 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 647' ' ' LEU . . . . . 0.646 ' HB2' ' HA ' ' A' ' 644' ' ' LYS . 2.5 mt -65.99 -64.18 0.92 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.441 1.088 . . . . 1.0 109.263 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 648' ' ' ARG . . . . . 0.527 ' N ' ' O ' ' A' ' 644' ' ' LYS . 6.1 ttt180 -43.6 -47.81 7.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 1.0 110.285 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 649' ' ' ASP . . . . . 0.542 ' O ' ' N ' ' A' ' 653' ' ' GLU . 12.4 t70 -65.08 -48.72 72.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.614 1.196 . . . . 1.0 109.242 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 650' ' ' ALA . . . . . 0.445 ' CB ' ' SD ' ' A' ' 603' ' ' MET . . . -46.97 -40.84 15.18 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.499 1.124 . . . . 1.0 109.257 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 651' ' ' TYR . . . . . 0.962 ' CD2' ' CG2' ' A' ' 606' ' ' ILE . 12.5 m-30 -80.17 -42.6 23.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 1.0 111.02 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 652' ' ' ARG . . . . . 0.493 ' CD ' ' HA ' ' A' ' 649' ' ' ASP . 0.1 OUTLIER -67.53 -37.43 82.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.086 . . . . 1.0 110.325 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 653' ' ' GLU . . . . . 0.542 ' N ' ' O ' ' A' ' 649' ' ' ASP . 1.1 tt0 -68.39 -38.19 81.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 1.0 110.332 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 654' ' ' ALA . . . . . 0.528 ' HB2' ' HA ' ' A' ' 604' ' ' GLU . . . -77.09 -54.24 6.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 1.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 655' ' ' GLN . . . . . 0.469 ' CG ' ' N ' ' A' ' 656' ' ' GLN . 10.9 pt20 -49.04 -45.4 42.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 1.0 110.317 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 656' ' ' GLN . . . . . 0.469 ' N ' ' CG ' ' A' ' 655' ' ' GLN . 2.3 tp60 -54.04 -19.96 5.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 1.0 110.333 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 657' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' ' 653' ' ' GLU . 5.0 mt -85.35 -32.22 22.55 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.443 1.09 . . . . 1.0 109.333 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 658' ' ' VAL . . . . . . . . . . . . . 1.5 p -105.4 15.04 7.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.633 1.208 . . . . 1.0 109.265 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 659' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 655' ' ' GLN . 2.1 mt-30 -75.39 -39.92 58.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.103 . . . . 1.0 110.293 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 660' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.77 4.24 17.0 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.471 1.107 . . . . 1.0 110.359 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 661' ' ' VAL . . . . . . . . . . . . . 8.1 t 62.37 130.11 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 1.0 109.317 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 662' ' ' PRO . . . . . 0.403 ' HG2' ' CB ' ' A' ' 665' ' ' LYS . 18.4 Cg_endo -74.97 -177.95 3.82 Favored 'Trans proline' 0 C--N 1.358 1.064 0 O-C-N 124.516 1.798 . . . . 1.0 110.989 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.75 -62.17 1.74 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 1.0 109.33 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 664' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.05 113.83 16.3 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.525 1.14 . . . . 1.0 110.931 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 665' ' ' LYS . . . . . 0.403 ' CB ' ' HG2' ' A' ' 662' ' ' PRO . 0.5 OUTLIER -177.59 168.81 2.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 1.0 109.31 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 666' ' ' ASN . . . . . . . . . . . . . 3.0 t30 174.33 -54.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 1.0 109.347 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 4.5 ttmt 60.96 88.75 0.12 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.564 1.165 . . . . 1.0 109.291 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 668' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 58.66 5.01 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.529 1.805 . . . . 1.0 111.042 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 41.87 90.61 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 1.0 110.293 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 670' ' ' SER . . . . . 0.469 ' OG ' ' O ' ' A' ' 670' ' ' SER . 8.6 t . . . . . 0 C--O 1.249 1.078 0 CA-C-O 116.944 -1.503 . . . . 1.0 110.044 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.066 0 N-CA-C 111.002 -0.839 . . . . 1.0 111.002 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 553' ' ' SER . . . . . . . . . . . . . 7.9 m 64.4 121.9 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.57 0.806 . . . . 1.0 109.989 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 554' ' ' HIS . . . . . . . . . . . . . 46.9 t-80 -159.52 62.13 0.38 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.39 1.056 . . . . 1.0 109.556 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 555' ' ' MET . . . . . . . . . . . . . 5.2 ptp -143.82 169.8 17.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 1.0 111.003 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . -67.13 -151.48 0.2 Allowed Glycine 0 CA--C 1.532 1.127 0 O-C-N 124.431 1.082 . . . . 1.0 110.998 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 12.7 tttp -118.77 -106.49 0.38 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 0.792 . . . . 1.0 109.292 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 558' ' ' ASP . . . . . 0.753 ' O ' ' CE2' ' A' ' 584' ' ' PHE . 7.3 m-20 -153.08 22.45 0.57 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 1.0 109.31 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 559' ' ' CYS . . . . . . . . . . . . . 3.5 t -171.17 132.14 0.81 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.634 1.209 . . . . 1.0 108.294 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 560' ' ' ILE . . . . . 0.871 HD13 ' HA ' ' A' ' 585' ' ' PRO . 37.9 mt -95.53 -68.07 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 1.0 109.348 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 561' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -135.72 149.5 49.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 1.0 111.011 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 562' ' ' HIS . . . . . . . . . . . . . 5.8 p80 -140.61 165.36 27.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.417 1.073 . . . . 1.0 109.708 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 563' ' ' GLY . . . . . . . . . . . . . . . 148.33 -164.34 29.0 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.461 1.1 . . . . 1.0 110.996 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 564' ' ' TYR . . . . . 0.408 ' OH ' ' NE ' ' A' ' 578' ' ' ARG . 0.2 OUTLIER -96.32 126.78 41.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 0.75 . . . . 1.0 110.945 -179.942 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 565' ' ' MET . . . . . 0.543 ' HB2' ' HB2' ' A' ' 581' ' ' PHE . 0.0 OUTLIER -140.39 133.1 28.91 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.511 1.132 . . . . 1.0 111.022 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 566' ' ' SER . . . . . 0.655 ' OG ' ' O ' ' A' ' 633' ' ' GLN . 9.0 p -111.22 127.56 55.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.581 1.175 . . . . 1.0 109.975 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 567' ' ' LYS . . . . . 0.615 ' HD2' ' CD2' ' A' ' 630' ' ' PHE . 0.0 OUTLIER -134.62 145.48 48.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 1.0 109.254 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 568' ' ' MET . . . . . 0.518 ' N ' ' HG2' ' A' ' 567' ' ' LYS . 17.5 ptm -130.14 -173.7 3.12 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.538 1.149 . . . . 1.0 111.066 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 569' ' ' GLY . . . . . . . . . . . . . . . -69.9 -121.96 0.04 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.43 1.081 . . . . 1.0 110.994 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 570' ' ' ASN . . . . . 0.57 ' CB ' ' HD3' ' A' ' 571' ' ' PRO . 0.0 OUTLIER -169.58 -56.15 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.483 0.755 . . . . 1.0 109.367 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 571' ' ' PRO . . . . . 0.57 ' HD3' ' CB ' ' A' ' 570' ' ' ASN . 18.2 Cg_endo -75.04 8.05 2.61 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.509 1.794 . . . . 1.0 110.98 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 572' ' ' PHE . . . . . 0.516 ' CE2' ' HG2' ' A' ' 571' ' ' PRO . 12.7 m-85 -139.3 81.41 1.83 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 1.0 111.009 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -90.49 86.33 6.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 1.0 109.333 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 574' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -160.32 -43.05 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 1.0 110.34 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -119.24 107.28 13.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.565 1.166 . . . . 1.0 110.306 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 576' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -90.83 147.75 22.97 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.114 . . . . 1.0 107.997 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 577' ' ' GLN . . . . . 0.489 ' NE2' ' NE ' ' A' ' 579' ' ' ARG . 0.0 OUTLIER -110.06 132.04 54.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 1.0 110.29 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 578' ' ' ARG . . . . . 0.538 ' HA ' ' HB2' ' A' ' 566' ' ' SER . 0.0 OUTLIER -128.71 122.7 31.3 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.563 1.165 . . . . 1.0 110.294 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 579' ' ' ARG . . . . . 0.489 ' NE ' ' NE2' ' A' ' 577' ' ' GLN . 42.5 mtt180 -155.02 -178.17 7.05 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.506 1.129 . . . . 1.0 110.301 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 580' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -88.39 131.22 34.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.432 1.083 . . . . 1.0 111.035 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 581' ' ' PHE . . . . . 0.595 ' CE1' ' HB3' ' A' ' 590' ' ' TRP . 4.1 m-85 -117.69 165.99 12.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 1.0 111.052 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 582' ' ' TYR . . . . . 0.476 ' O ' ' HA ' ' A' ' 588' ' ' LEU . 4.4 m-85 -146.4 116.8 7.48 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.534 1.146 . . . . 1.0 110.982 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 583' ' ' LEU . . . . . 0.693 ' HB2' ' CZ3' ' A' ' 643' ' ' TRP . 5.7 tp -91.2 116.01 28.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 1.0 109.38 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 584' ' ' PHE . . . . . 0.753 ' CE2' ' O ' ' A' ' 558' ' ' ASP . 0.6 OUTLIER -108.65 174.19 2.58 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 1.0 110.966 -179.92 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 585' ' ' PRO . . . . . 0.871 ' HA ' HD13 ' A' ' 560' ' ' ILE . 18.1 Cg_endo -75.02 -1.43 11.22 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.521 1.801 . . . . 1.0 110.99 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 586' ' ' ASN . . . . . 0.61 ' HA ' ' CG ' ' A' ' 603' ' ' MET . 3.2 m120 -165.81 -40.49 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 1.0 109.24 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 587' ' ' ARG . . . . . 0.538 ' HA ' ' HA ' ' A' ' 602' ' ' THR . 2.5 mtp180 -90.08 -167.73 1.92 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 1.0 110.283 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 588' ' ' LEU . . . . . 0.504 HD13 ' C ' ' A' ' 588' ' ' LEU . 0.1 OUTLIER 176.2 113.02 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.417 1.073 . . . . 1.0 109.385 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 589' ' ' GLU . . . . . 0.413 ' HA ' ' CB ' ' A' ' 600' ' ' LEU . 14.9 tt0 -93.69 145.09 24.82 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 124.502 1.126 . . . . 1.0 110.297 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 590' ' ' TRP . . . . . 0.595 ' HB3' ' CE1' ' A' ' 581' ' ' PHE . 2.9 p-90 -142.0 80.86 1.73 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 1.0 108.0 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -117.72 -171.37 2.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 1.0 110.303 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . -179.21 144.89 6.37 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.513 1.133 . . . . 1.0 110.959 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.66 168.71 8.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 0.74 . . . . 1.0 110.281 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . 46.42 64.59 2.5 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.533 1.146 . . . . 1.0 111.066 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 595' ' ' GLU . . . . . 0.427 ' OE2' ' NH2' ' A' ' 579' ' ' ARG . 2.2 tt0 179.82 -176.12 0.31 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 0.786 . . . . 1.0 110.29 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . -79.45 163.93 56.63 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 1.0 109.274 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 597' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 119.98 5.88 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.468 1.773 . . . . 1.0 111.011 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 598' ' ' GLN . . . . . . . . . . . . . 23.5 mp0 -89.92 -172.27 3.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.437 1.086 . . . . 1.0 110.258 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 599' ' ' SER . . . . . 0.495 ' O ' ' CD1' ' A' ' 590' ' ' TRP . 0.2 OUTLIER -123.12 -170.65 2.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.599 1.187 . . . . 1.0 109.96 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 600' ' ' LEU . . . . . 0.413 ' CB ' ' HA ' ' A' ' 589' ' ' GLU . 0.6 OUTLIER -140.58 110.16 6.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.125 . . . . 1.0 109.3 179.936 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -80.21 -166.75 1.11 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.153 . . . . 1.0 109.369 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 602' ' ' THR . . . . . 0.538 ' HA ' ' HA ' ' A' ' 587' ' ' ARG . 0.1 OUTLIER -118.12 -160.43 0.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 1.0 110.414 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 603' ' ' MET . . . . . 0.61 ' CG ' ' HA ' ' A' ' 586' ' ' ASN . 0.1 OUTLIER -137.42 37.1 2.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.103 . . . . 1.0 111.058 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -125.26 57.46 1.31 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.435 1.084 . . . . 1.0 110.317 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 605' ' ' GLU . . . . . 0.522 ' O ' ' C ' ' A' ' 606' ' ' ILE . 3.9 pt-20 -158.77 -55.52 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 1.0 110.276 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 606' ' ' ILE . . . . . 0.887 ' CG2' ' CD2' ' A' ' 651' ' ' TYR . 0.9 OUTLIER -30.93 137.42 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 1.0 109.293 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 607' ' ' GLN . . . . . 0.522 ' HG2' ' CB ' ' A' ' 625' ' ' ARG . 0.0 OUTLIER -87.73 -39.49 14.91 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 1.0 110.27 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 1.5 m -174.81 135.32 0.38 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 1.0 110.03 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 609' ' ' VAL . . . . . 0.462 ' CG2' ' CD ' ' A' ' 644' ' ' LYS . 3.1 p -107.63 140.81 24.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.463 1.102 . . . . 1.0 109.23 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 610' ' ' GLU . . . . . 0.517 ' HG3' ' CD2' ' A' ' 621' ' ' LEU . 0.2 OUTLIER -158.51 -167.92 2.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 1.0 110.331 179.945 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 611' ' ' GLU . . . . . 0.637 ' HA ' ' HA ' ' A' ' 620' ' ' LEU . 27.4 tt0 -140.37 149.02 42.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.389 1.056 . . . . 1.0 110.333 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 612' ' ' THR . . . . . 0.556 ' C ' ' HB3' ' A' ' 618' ' ' LYS . 0.0 OUTLIER -115.23 164.79 13.72 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.546 1.154 . . . . 1.0 110.397 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 11.1 mp0 -128.54 163.92 23.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 1.0 110.341 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 614' ' ' ILE . . . . . 0.72 ' O ' ' CG2' ' A' ' 614' ' ' ILE . 0.1 OUTLIER -148.16 83.19 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.414 1.071 . . . . 1.0 109.347 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 615' ' ' LYS . . . . . 0.438 ' HB3' ' O ' ' A' ' 614' ' ' ILE . 9.0 ttmt 81.39 -33.13 0.1 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.438 1.087 . . . . 1.0 109.252 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 616' ' ' GLU . . . . . 0.442 ' H ' ' C ' ' A' ' 614' ' ' ILE . 1.9 tt0 -156.77 -47.67 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 1.0 110.298 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 12.2 ttt-85 -156.49 137.69 13.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.581 1.175 . . . . 1.0 110.245 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 618' ' ' LYS . . . . . 0.556 ' HB3' ' C ' ' A' ' 612' ' ' THR . 2.1 tptt -117.66 -98.05 0.46 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 1.0 109.264 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 619' ' ' CYS . . . . . 0.484 ' O ' ' CG ' ' A' ' 611' ' ' GLU . 25.5 m -157.35 -173.19 4.3 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.587 1.179 . . . . 1.0 108.316 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 620' ' ' LEU . . . . . 0.637 ' HA ' ' HA ' ' A' ' 611' ' ' GLU . 0.2 OUTLIER -102.9 138.15 40.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 1.0 109.362 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 621' ' ' LEU . . . . . 0.517 ' CD2' ' HG3' ' A' ' 610' ' ' GLU . 3.8 tp -91.46 161.04 15.14 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.536 1.147 . . . . 1.0 109.279 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 622' ' ' LEU . . . . . 0.627 ' CD2' HG12 ' A' ' 606' ' ' ILE . 0.6 OUTLIER -161.8 83.42 0.59 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 1.0 109.34 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 623' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.18 138.52 31.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.523 1.139 . . . . 1.0 109.313 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 624' ' ' ILE . . . . . 0.685 ' HA ' ' HA ' ' A' ' 606' ' ' ILE . 62.8 mt -102.62 145.66 11.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 1.0 109.36 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 625' ' ' ARG . . . . . 0.522 ' CB ' ' HG2' ' A' ' 607' ' ' GLN . 0.1 OUTLIER -79.05 2.69 19.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.388 1.055 . . . . 1.0 110.327 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 626' ' ' GLY . . . . . . . . . . . . . . . -91.67 -23.02 29.47 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.454 1.096 . . . . 1.0 111.057 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 117.86 47.49 0.44 Allowed Glycine 0 CA--C 1.531 1.032 0 N-CA-C 111.008 -0.837 . . . . 1.0 111.008 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 628' ' ' LYS . . . . . . . . . . . . . 3.8 mtmt -144.47 168.99 18.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 0.765 . . . . 1.0 109.254 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -142.64 130.83 22.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.592 1.183 . . . . 1.0 110.333 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 630' ' ' PHE . . . . . 0.615 ' CD2' ' HD2' ' A' ' 567' ' ' LYS . 1.5 m-85 -126.36 150.24 48.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.437 1.086 . . . . 1.0 111.004 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 631' ' ' ILE . . . . . 0.453 ' HA ' ' O ' ' A' ' 620' ' ' LEU . 0.1 OUTLIER -129.75 117.78 42.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 1.0 109.408 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 632' ' ' LEU . . . . . 0.558 HD13 ' CG ' ' A' ' 622' ' ' LEU . 1.1 mp -92.47 160.28 15.14 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.495 1.122 . . . . 1.0 109.335 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 633' ' ' GLN . . . . . 0.655 ' O ' ' OG ' ' A' ' 566' ' ' SER . 11.2 tp60 -158.03 125.05 4.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.438 1.087 . . . . 1.0 110.339 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 634' ' ' CYS . . . . . 0.478 ' HB3' ' CD2' ' A' ' 640' ' ' LEU . 15.5 p -130.55 153.26 49.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 1.0 108.405 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 635' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -80.93 -12.83 59.33 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.149 . . . . 1.0 109.241 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 636' ' ' SER . . . . . 0.517 ' CB ' ' HG3' ' A' ' 639' ' ' GLU . 0.5 OUTLIER -91.8 165.79 13.09 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.555 1.159 . . . . 1.0 109.978 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 637' ' ' ASP . . . . . 0.535 ' N ' ' CD ' ' A' ' 638' ' ' PRO . 0.2 OUTLIER -94.92 -51.06 0.25 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.565 1.166 . . . . 1.0 109.276 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 638' ' ' PRO . . . . . 0.57 ' O ' ' C ' ' A' ' 639' ' ' GLU . 18.4 Cg_endo -74.97 -45.51 0.28 Allowed 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.538 1.81 . . . . 1.0 110.917 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 639' ' ' GLU . . . . . 0.57 ' C ' ' O ' ' A' ' 638' ' ' PRO . 4.6 mt-10 -23.81 -73.04 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.587 1.179 . . . . 1.0 110.311 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 640' ' ' LEU . . . . . 0.562 ' CD1' HD12 ' A' ' 620' ' ' LEU . 0.2 OUTLIER -57.03 -52.2 66.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 1.0 109.262 -179.92 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 641' ' ' VAL . . . . . 0.477 ' CG1' ' N ' ' A' ' 642' ' ' GLN . 0.5 OUTLIER -40.69 -53.76 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.562 1.164 . . . . 1.0 109.324 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 642' ' ' GLN . . . . . 0.477 ' N ' ' CG1' ' A' ' 641' ' ' VAL . 2.3 mp0 -69.9 -41.87 74.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 1.0 110.305 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 643' ' ' TRP . . . . . 0.693 ' CZ3' ' HB2' ' A' ' 583' ' ' LEU . 16.2 m95 -55.46 -41.12 72.48 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.492 1.12 . . . . 1.0 108.038 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 644' ' ' LYS . . . . . 0.605 ' HA ' ' HB2' ' A' ' 647' ' ' LEU . 0.0 OUTLIER -65.14 -57.56 8.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 1.0 109.367 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 8.4 tmtm? -42.03 -54.56 3.49 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.558 1.161 . . . . 1.0 109.337 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 646' ' ' GLU . . . . . 0.461 ' OE1' ' O ' ' A' ' 642' ' ' GLN . 1.5 mp0 -70.23 -26.33 63.81 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 1.0 110.3 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 647' ' ' LEU . . . . . 0.605 ' HB2' ' HA ' ' A' ' 644' ' ' LYS . 0.4 OUTLIER -72.96 -62.59 1.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 1.0 109.275 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 648' ' ' ARG . . . . . 0.524 ' O ' ' CG ' ' A' ' 652' ' ' ARG . 0.9 OUTLIER -40.0 -52.49 2.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.625 1.203 . . . . 1.0 110.337 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 649' ' ' ASP . . . . . 0.455 ' O ' ' N ' ' A' ' 653' ' ' GLU . 27.2 t70 -58.06 -47.44 83.16 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 1.0 109.3 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 650' ' ' ALA . . . . . 0.523 ' HB1' ' O ' ' A' ' 647' ' ' LEU . . . -48.98 -57.27 6.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.566 1.166 . . . . 1.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 651' ' ' TYR . . . . . 0.887 ' CD2' ' CG2' ' A' ' 606' ' ' ILE . 13.9 m-30 -67.16 -27.07 66.99 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.466 1.104 . . . . 1.0 110.975 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 652' ' ' ARG . . . . . 0.581 ' O ' ' N ' ' A' ' 655' ' ' GLN . 10.1 mmm180 -74.47 -67.96 0.58 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.423 1.077 . . . . 1.0 110.358 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 653' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 649' ' ' ASP . 13.3 mt-10 -44.29 -30.44 0.81 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 1.0 110.347 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 654' ' ' ALA . . . . . 0.468 ' HB1' ' O ' ' A' ' 650' ' ' ALA . . . -74.88 -34.49 62.23 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 1.0 109.37 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 655' ' ' GLN . . . . . 0.581 ' N ' ' O ' ' A' ' 652' ' ' ARG . 3.5 pt20 -48.28 -46.16 35.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 1.0 110.35 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 656' ' ' GLN . . . . . 0.492 ' N ' ' CG ' ' A' ' 655' ' ' GLN . 4.5 pt20 -74.01 -12.81 60.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 1.0 110.359 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 657' ' ' LEU . . . . . 0.473 HD11 ' CG ' ' A' ' 656' ' ' GLN . 0.5 OUTLIER -85.53 -28.93 24.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 1.0 109.301 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 658' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -114.15 11.32 8.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.395 1.059 . . . . 1.0 109.316 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 659' ' ' GLN . . . . . 0.405 ' O ' ' N ' ' A' ' 661' ' ' VAL . 0.0 OUTLIER -61.0 -59.34 5.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 1.0 110.219 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 660' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.95 66.73 0.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.406 1.066 . . . . 1.0 110.264 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 661' ' ' VAL . . . . . 0.442 ' N ' ' HD3' ' A' ' 662' ' ' PRO . 74.8 t -137.75 63.38 39.1 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 1.0 109.282 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 662' ' ' PRO . . . . . 0.442 ' HD3' ' N ' ' A' ' 661' ' ' VAL . 18.0 Cg_endo -75.03 169.9 21.61 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.473 1.775 . . . . 1.0 111.026 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 15.9 ttpp -98.18 -62.45 1.24 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.499 1.124 . . . . 1.0 109.332 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 664' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -169.13 56.35 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 1.0 110.939 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 665' ' ' LYS . . . . . 0.421 ' O ' ' CB ' ' A' ' 666' ' ' ASN . 0.8 OUTLIER -138.55 -62.49 0.56 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.427 1.079 . . . . 1.0 109.25 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 666' ' ' ASN . . . . . 0.421 ' CB ' ' O ' ' A' ' 665' ' ' LYS . 0.5 OUTLIER 75.89 -57.94 0.56 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.438 1.086 . . . . 1.0 109.287 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.9 119.79 36.63 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.44 1.088 . . . . 1.0 109.347 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 668' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 -36.92 2.29 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.488 1.783 . . . . 1.0 111.008 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 9.0 ttp180 177.97 144.83 0.11 Allowed 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.471 1.107 . . . . 1.0 110.328 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.122 0 CA-C-O 117.029 -1.463 . . . . 1.0 110.032 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.935 0 N-CA-C 111.037 -0.825 . . . . 1.0 111.037 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 553' ' ' SER . . . . . . . . . . . . . 1.6 m -179.78 78.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.408 0.71 . . . . 1.0 110.023 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 554' ' ' HIS . . . . . . . . . . . . . 8.5 m170 65.49 117.25 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.505 1.128 . . . . 1.0 109.603 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 555' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -159.0 170.31 22.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 1.0 111.046 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . 125.97 -171.48 17.79 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.555 1.159 . . . . 1.0 110.98 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 60.1 tttt -130.2 -106.59 0.28 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 0.745 . . . . 1.0 109.226 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 558' ' ' ASP . . . . . 0.86 ' O ' ' CE2' ' A' ' 584' ' ' PHE . 2.6 m-20 -154.91 24.8 0.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 1.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 559' ' ' CYS . . . . . . . . . . . . . 5.4 t -170.94 138.06 1.27 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.131 . . . . 1.0 108.271 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 560' ' ' ILE . . . . . 0.641 HD13 ' O ' ' A' ' 584' ' ' PHE . 40.9 mt -99.63 -66.05 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.477 1.11 . . . . 1.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 561' ' ' MET . . . . . 0.419 ' SD ' ' OE2' ' A' ' 646' ' ' GLU . 0.0 OUTLIER -138.13 131.51 30.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 1.0 110.956 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 562' ' ' HIS . . . . . . . . . . . . . 6.3 p80 -127.57 161.16 29.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 1.0 109.602 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 563' ' ' GLY . . . . . . . . . . . . . . . 153.75 -163.11 30.71 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.487 1.117 . . . . 1.0 111.047 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 564' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -94.31 125.65 39.08 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.5 0.765 . . . . 1.0 110.948 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 565' ' ' MET . . . . . 0.579 ' HA ' ' SG ' ' A' ' 634' ' ' CYS . 0.2 OUTLIER -139.57 145.74 38.99 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.485 1.116 . . . . 1.0 111.058 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 566' ' ' SER . . . . . 0.559 ' OG ' ' HG3' ' A' ' 633' ' ' GLN . 0.6 OUTLIER -113.87 145.68 41.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 1.0 110.064 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 567' ' ' LYS . . . . . 0.5 ' HA ' ' HA ' ' A' ' 632' ' ' LEU . 0.1 OUTLIER -140.68 165.97 26.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 1.0 109.297 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 568' ' ' MET . . . . . 0.459 ' N ' ' CG ' ' A' ' 567' ' ' LYS . 0.0 OUTLIER 178.54 177.57 0.45 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.442 1.089 . . . . 1.0 110.995 179.924 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 569' ' ' GLY . . . . . . . . . . . . . . . 157.87 120.27 0.61 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.555 1.159 . . . . 1.0 111.009 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 570' ' ' ASN . . . . . 0.545 ' CB ' ' CD ' ' A' ' 571' ' ' PRO . 1.2 m-20 -169.41 -179.93 0.73 Allowed Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.495 0.762 . . . . 1.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 571' ' ' PRO . . . . . 0.545 ' CD ' ' CB ' ' A' ' 570' ' ' ASN . 18.6 Cg_endo -75.02 2.38 6.71 Favored 'Trans proline' 0 C--N 1.362 1.262 0 O-C-N 124.436 1.756 . . . . 1.0 110.99 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 572' ' ' PHE . . . . . 0.538 ' CE2' ' HG2' ' A' ' 571' ' ' PRO . 9.1 m-85 -150.42 80.44 1.35 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 1.0 110.982 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 2.1 tp -81.26 88.13 6.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 1.0 109.37 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 574' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -135.86 8.84 3.29 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.445 1.091 . . . . 1.0 110.451 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 575' ' ' GLN . . . . . 0.607 ' O ' ' CD1' ' A' ' 576' ' ' TRP . 26.0 pt20 -120.66 -177.75 3.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 1.0 110.365 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 576' ' ' TRP . . . . . 0.607 ' CD1' ' O ' ' A' ' 575' ' ' GLN . 15.9 m0 -156.17 120.32 4.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.425 1.078 . . . . 1.0 108.105 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 577' ' ' GLN . . . . . 0.401 ' HB2' ' SD ' ' A' ' 568' ' ' MET . 0.9 OUTLIER -118.62 111.67 18.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.412 1.07 . . . . 1.0 110.344 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 578' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.2 116.28 28.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 1.0 110.275 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 579' ' ' ARG . . . . . 0.573 ' O ' ' O ' ' A' ' 565' ' ' MET . 44.5 mtp180 -130.45 165.65 22.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 1.0 110.329 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 580' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -88.29 127.61 35.47 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 1.0 110.991 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 581' ' ' PHE . . . . . 0.569 ' CE2' ' CB ' ' A' ' 590' ' ' TRP . 55.2 m-85 -124.54 169.91 11.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.154 . . . . 1.0 110.996 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 582' ' ' TYR . . . . . 0.561 ' CA ' ' HH2' ' A' ' 643' ' ' TRP . 32.4 m-85 -146.91 121.99 10.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 1.0 110.984 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 583' ' ' LEU . . . . . 0.819 ' HB2' ' CZ3' ' A' ' 643' ' ' TRP . 8.1 tp -90.5 112.71 24.47 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.501 1.126 . . . . 1.0 109.318 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 584' ' ' PHE . . . . . 0.86 ' CE2' ' O ' ' A' ' 558' ' ' ASP . 0.6 OUTLIER -104.55 170.51 5.97 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 1.0 111.025 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 585' ' ' PRO . . . . . 0.5 ' HA ' ' CD1' ' A' ' 560' ' ' ILE . 18.3 Cg_endo -75.0 7.34 2.91 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.474 1.776 . . . . 1.0 111.042 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 586' ' ' ASN . . . . . 0.725 ' HA ' ' CG ' ' A' ' 603' ' ' MET . 14.3 m120 -170.65 -44.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 1.0 109.292 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 587' ' ' ARG . . . . . 0.584 ' HA ' ' HA ' ' A' ' 602' ' ' THR . 3.5 mtp85 -88.53 -170.99 3.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.55 1.157 . . . . 1.0 110.374 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 588' ' ' LEU . . . . . 0.469 ' HA ' ' O ' ' A' ' 582' ' ' TYR . 0.1 OUTLIER -178.33 112.81 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 1.0 109.3 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 589' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -87.75 139.98 29.98 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 1.0 110.307 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 590' ' ' TRP . . . . . 0.569 ' CB ' ' CE2' ' A' ' 581' ' ' PHE . 1.3 p-90 -143.23 78.3 1.6 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.995 -1.113 . . . . 1.0 107.995 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 591' ' ' ARG . . . . . 0.419 ' HD3' ' OG ' ' A' ' 599' ' ' SER . 0.0 OUTLIER -115.85 175.74 5.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.584 1.178 . . . . 1.0 110.212 -179.911 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . 167.59 -151.17 18.39 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.571 1.169 . . . . 1.0 110.961 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 593' ' ' GLU . . . . . 0.455 ' OE1' ' N ' ' A' ' 593' ' ' GLU . 0.0 OUTLIER -92.92 165.75 12.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 0.737 . . . . 1.0 110.225 -179.917 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . 40.39 70.93 0.33 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.514 1.134 . . . . 1.0 111.006 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 595' ' ' GLU . . . . . 0.411 ' HB3' ' NH2' ' A' ' 579' ' ' ARG . 19.0 tp10 -178.1 163.7 1.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 0.794 . . . . 1.0 110.304 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . -79.85 157.26 74.3 Favored Pre-proline 0 C--N 1.323 -0.565 0 O-C-N 124.546 1.153 . . . . 1.0 109.287 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 597' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -14.19 21.28 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.504 1.792 . . . . 1.0 111.016 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 598' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -86.12 89.12 7.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 1.0 110.314 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 599' ' ' SER . . . . . 0.472 ' HB2' ' CD2' ' A' ' 590' ' ' TRP . 17.9 p -155.2 76.46 0.98 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 1.0 109.952 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -140.29 121.0 14.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 1.0 109.33 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -125.51 -175.19 3.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 1.0 109.327 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 602' ' ' THR . . . . . 0.584 ' HA ' ' HA ' ' A' ' 587' ' ' ARG . 0.0 OUTLIER -120.58 -165.18 1.17 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 1.0 110.363 -179.945 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 603' ' ' MET . . . . . 0.725 ' CG ' ' HA ' ' A' ' 586' ' ' ASN . 0.8 OUTLIER -127.38 38.52 4.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 1.0 111.036 -179.941 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 604' ' ' GLU . . . . . 0.491 ' HA ' ' HB2' ' A' ' 654' ' ' ALA . 7.2 pt-20 -125.95 58.53 1.34 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.534 1.146 . . . . 1.0 110.331 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 605' ' ' GLU . . . . . 0.474 ' O ' ' C ' ' A' ' 606' ' ' ILE . 3.2 pt-20 -159.0 -57.7 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 1.0 110.309 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 606' ' ' ILE . . . . . 1.031 ' CG2' ' CD2' ' A' ' 651' ' ' TYR . 1.3 mp -34.94 140.44 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 1.0 109.35 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 607' ' ' GLN . . . . . 0.541 ' HG2' ' CB ' ' A' ' 625' ' ' ARG . 0.0 OUTLIER -91.87 -36.12 13.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 1.0 110.259 -179.929 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 608' ' ' SER . . . . . 0.402 ' HB2' ' HD3' ' A' ' 623' ' ' LYS . 2.2 m -174.0 132.53 0.42 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.576 1.172 . . . . 1.0 109.995 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 609' ' ' VAL . . . . . 0.596 ' CG2' ' CD ' ' A' ' 644' ' ' LYS . 1.7 p -106.03 128.98 59.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 1.0 109.343 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 610' ' ' GLU . . . . . 0.54 ' CD ' ' CD2' ' A' ' 621' ' ' LEU . 0.2 OUTLIER -146.87 -168.83 3.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 1.0 110.23 -179.917 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 611' ' ' GLU . . . . . 0.569 ' HA ' ' HA ' ' A' ' 620' ' ' LEU . 23.3 tt0 -140.45 146.91 38.86 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.57 1.169 . . . . 1.0 110.305 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 612' ' ' THR . . . . . 0.542 ' C ' ' HB3' ' A' ' 618' ' ' LYS . 0.1 OUTLIER -112.15 164.18 13.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 1.0 110.413 -179.932 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -129.52 162.21 28.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 1.0 110.29 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 614' ' ' ILE . . . . . 0.693 ' O ' ' CG2' ' A' ' 614' ' ' ILE . 0.1 OUTLIER -145.74 84.12 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 1.0 109.331 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 615' ' ' LYS . . . . . 0.406 ' CB ' ' O ' ' A' ' 614' ' ' ILE . 0.9 OUTLIER 82.33 -34.52 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 1.0 109.257 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 616' ' ' GLU . . . . . 0.414 ' H ' ' C ' ' A' ' 614' ' ' ILE . 0.8 OUTLIER -156.36 -47.07 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 1.0 110.39 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -155.99 136.69 13.37 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.389 1.055 . . . . 1.0 110.29 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 618' ' ' LYS . . . . . 0.542 ' HB3' ' C ' ' A' ' 612' ' ' THR . 0.4 OUTLIER -117.1 -98.27 0.45 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 1.0 109.35 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 619' ' ' CYS . . . . . 0.461 ' SG ' ' O ' ' A' ' 618' ' ' LYS . 57.2 m -156.35 -173.86 4.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 1.0 108.278 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 620' ' ' LEU . . . . . 0.569 ' HA ' ' HA ' ' A' ' 611' ' ' GLU . 0.2 OUTLIER -102.51 145.55 29.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 1.0 109.301 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 621' ' ' LEU . . . . . 0.54 ' CD2' ' CD ' ' A' ' 610' ' ' GLU . 1.7 tp -105.42 162.89 13.06 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.489 1.118 . . . . 1.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 622' ' ' LEU . . . . . 0.49 HD12 ' CD1' ' A' ' 632' ' ' LEU . 0.2 OUTLIER -163.58 78.48 0.42 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.543 1.152 . . . . 1.0 109.346 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 623' ' ' LYS . . . . . 0.402 ' HD3' ' HB2' ' A' ' 608' ' ' SER . 0.0 OUTLIER -78.25 140.17 38.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.56 1.162 . . . . 1.0 109.253 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 624' ' ' ILE . . . . . 0.83 ' HA ' ' HA ' ' A' ' 606' ' ' ILE . 82.4 mt -102.26 145.85 11.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.13 . . . . 1.0 109.315 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 625' ' ' ARG . . . . . 0.541 ' CB ' ' HG2' ' A' ' 607' ' ' GLN . 5.4 ptm180 -77.61 2.92 15.08 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.43 1.081 . . . . 1.0 110.292 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 626' ' ' GLY . . . . . . . . . . . . . . . -90.22 -18.55 49.39 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.58 1.175 . . . . 1.0 111.003 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 113.12 32.97 2.06 Favored Glycine 0 CA--C 1.53 0.972 0 N-CA-C 111.079 -0.808 . . . . 1.0 111.079 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 628' ' ' LYS . . . . . . . . . . . . . 3.8 mmtt -130.51 176.01 8.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 0.76 . . . . 1.0 109.341 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -146.32 151.25 37.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 1.0 110.332 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 630' ' ' PHE . . . . . 0.496 ' CE1' ' HD3' ' A' ' 567' ' ' LYS . 0.5 OUTLIER -140.22 147.91 40.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.573 1.171 . . . . 1.0 111.052 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 631' ' ' ILE . . . . . 0.489 ' CG2' ' O ' ' A' ' 631' ' ' ILE . 0.0 OUTLIER -136.22 106.15 5.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.519 1.137 . . . . 1.0 109.337 179.939 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 632' ' ' LEU . . . . . 0.578 ' N ' ' CD2' ' A' ' 632' ' ' LEU . 0.2 OUTLIER -116.66 161.8 18.64 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.531 1.144 . . . . 1.0 109.219 -179.905 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 633' ' ' GLN . . . . . 0.559 ' HG3' ' OG ' ' A' ' 566' ' ' SER . 1.7 pp0? -144.34 175.78 9.84 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.462 1.101 . . . . 1.0 110.334 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 634' ' ' CYS . . . . . 0.579 ' SG ' ' HA ' ' A' ' 565' ' ' MET . 0.8 OUTLIER -155.97 157.76 36.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 1.0 108.27 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 635' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -82.29 -22.18 35.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 1.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 636' ' ' SER . . . . . 0.46 ' CB ' ' HB2' ' A' ' 639' ' ' GLU . 0.5 OUTLIER -89.81 154.38 19.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 1.0 109.942 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 637' ' ' ASP . . . . . 0.59 ' N ' ' CD ' ' A' ' 638' ' ' PRO . 0.2 OUTLIER -84.64 -47.6 0.66 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.158 . . . . 1.0 109.301 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 638' ' ' PRO . . . . . 0.59 ' CD ' ' N ' ' A' ' 637' ' ' ASP . 18.1 Cg_endo -74.99 -51.75 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.544 1.813 . . . . 1.0 110.89 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 639' ' ' GLU . . . . . 0.558 ' C ' ' O ' ' A' ' 638' ' ' PRO . 13.0 mm-40 -24.23 -81.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.089 . . . . 1.0 110.273 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 640' ' ' LEU . . . . . 0.549 ' CD1' ' CD1' ' A' ' 620' ' ' LEU . 0.1 OUTLIER -51.0 -47.07 61.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.105 . . . . 1.0 109.276 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 641' ' ' VAL . . . . . 0.5 ' CG1' ' N ' ' A' ' 642' ' ' GLN . 0.7 OUTLIER -45.04 -56.64 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.551 1.157 . . . . 1.0 109.353 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 642' ' ' GLN . . . . . 0.5 ' N ' ' CG1' ' A' ' 641' ' ' VAL . 0.6 OUTLIER -64.94 -38.4 90.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 1.0 110.336 179.894 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 643' ' ' TRP . . . . . 0.819 ' CZ3' ' HB2' ' A' ' 583' ' ' LEU . 28.6 m95 -58.01 -40.06 79.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.133 . . . . 1.0 108.03 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 644' ' ' LYS . . . . . 0.596 ' CD ' ' CG2' ' A' ' 609' ' ' VAL . 0.0 OUTLIER -65.44 -58.95 4.6 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.48 1.112 . . . . 1.0 109.327 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 10.8 tmtt? -41.26 -50.57 3.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 1.0 109.227 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 646' ' ' GLU . . . . . 0.572 ' HG3' ' CG2' ' A' ' 560' ' ' ILE . 0.3 OUTLIER -71.31 -32.86 69.12 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.474 1.109 . . . . 1.0 110.33 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 647' ' ' LEU . . . . . 0.597 ' HG ' ' CD2' ' A' ' 583' ' ' LEU . 1.0 OUTLIER -67.76 -61.22 1.98 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 1.0 109.311 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 648' ' ' ARG . . . . . 0.455 ' N ' ' O ' ' A' ' 644' ' ' LYS . 0.1 OUTLIER -41.56 -54.98 3.03 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.515 1.134 . . . . 1.0 110.27 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 649' ' ' ASP . . . . . 0.446 ' HA ' ' HB2' ' A' ' 652' ' ' ARG . 29.0 t0 -60.6 -47.6 85.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 1.0 109.304 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 650' ' ' ALA . . . . . 0.556 ' CB ' ' SD ' ' A' ' 603' ' ' MET . . . -47.34 -55.02 9.61 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.566 1.166 . . . . 1.0 109.329 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 651' ' ' TYR . . . . . 1.031 ' CD2' ' CG2' ' A' ' 606' ' ' ILE . 22.2 m-30 -68.03 -28.53 67.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 1.0 110.965 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 652' ' ' ARG . . . . . 0.534 ' O ' ' N ' ' A' ' 655' ' ' GLN . 41.1 mtp180 -73.46 -68.77 0.47 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 1.0 110.244 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 653' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 649' ' ' ASP . 7.5 mt-10 -43.86 -29.81 0.6 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 1.0 110.308 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 654' ' ' ALA . . . . . 0.713 ' O ' ' N ' ' A' ' 657' ' ' LEU . . . -71.81 -38.25 70.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.434 1.083 . . . . 1.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 655' ' ' GLN . . . . . 0.534 ' N ' ' O ' ' A' ' 652' ' ' ARG . 3.9 pt20 -41.47 -38.2 1.23 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.406 1.066 . . . . 1.0 110.339 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 656' ' ' GLN . . . . . 0.561 ' HG2' ' CD1' ' A' ' 657' ' ' LEU . 4.4 pt20 -66.24 -7.54 19.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 1.0 110.288 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 657' ' ' LEU . . . . . 0.713 ' N ' ' O ' ' A' ' 654' ' ' ALA . 2.3 mp -86.48 -29.46 22.75 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 1.0 109.335 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 658' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -118.08 13.12 7.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 1.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 659' ' ' GLN . . . . . 0.411 ' HB2' ' HA ' ' A' ' 656' ' ' GLN . 0.0 OUTLIER -59.53 -49.22 78.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 1.0 110.314 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 660' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.74 72.73 2.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.557 1.161 . . . . 1.0 110.273 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 661' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -98.8 158.11 32.99 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 1.0 109.245 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 662' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 179.23 6.29 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.529 1.805 . . . . 1.0 110.973 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.15 135.46 43.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 1.0 109.256 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 664' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 40.7 90.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 1.0 111.034 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -175.59 -63.36 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 1.0 109.227 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 666' ' ' ASN . . . . . . . . . . . . . 19.0 m-20 72.91 -59.78 0.56 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 1.0 109.292 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 4.1 pttt -174.87 156.8 2.11 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 1.0 109.394 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 668' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -42.16 0.55 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.524 1.802 . . . . 1.0 110.959 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 178.49 156.22 0.43 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 1.0 110.253 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 19.2 p . . . . . 0 C--O 1.25 1.088 0 CA-C-O 116.985 -1.483 . . . . 1.0 110.007 179.969 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.044 0 N-CA-C 111.036 -0.826 . . . . 1.0 111.036 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 553' ' ' SER . . . . . . . . . . . . . 9.9 p -177.48 157.41 1.28 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.491 0.759 . . . . 1.0 110.046 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 554' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -176.48 137.44 0.28 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.596 1.185 . . . . 1.0 109.645 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 555' ' ' MET . . . . . 0.493 ' CE ' ' HD2' ' A' ' 587' ' ' ARG . 0.3 OUTLIER -155.75 47.13 0.49 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.6 1.188 . . . . 1.0 111.077 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . 53.06 171.78 0.03 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.514 1.134 . . . . 1.0 111.016 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.74 69.49 0.92 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 0.772 . . . . 1.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 558' ' ' ASP . . . . . 0.466 ' O ' ' HG3' ' A' ' 585' ' ' PRO . 0.7 OUTLIER -155.26 110.91 3.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.555 1.159 . . . . 1.0 109.265 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 559' ' ' CYS . . . . . 0.418 ' SG ' ' O ' ' A' ' 583' ' ' LEU . 19.9 t -68.82 145.47 53.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 1.0 108.281 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 560' ' ' ILE . . . . . 0.556 HD13 ' O ' ' A' ' 584' ' ' PHE . 29.6 mt -85.18 -62.53 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.522 1.139 . . . . 1.0 109.326 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 561' ' ' MET . . . . . 0.465 ' SD ' ' OE2' ' A' ' 646' ' ' GLU . 0.0 OUTLIER -131.0 135.73 47.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.616 1.197 . . . . 1.0 111.044 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 562' ' ' HIS . . . . . . . . . . . . . 2.0 p80 -135.98 173.77 11.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 1.0 109.575 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 563' ' ' GLY . . . . . 0.464 ' O ' ' CD1' ' A' ' 580' ' ' TYR . . . 135.93 -172.91 22.11 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.526 1.142 . . . . 1.0 111.013 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 564' ' ' TYR . . . . . 0.455 ' CE1' ' HD3' ' A' ' 578' ' ' ARG . 0.6 OUTLIER -90.09 125.32 35.38 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.507 0.769 . . . . 1.0 110.95 -179.92 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 565' ' ' MET . . . . . 0.541 ' O ' ' O ' ' A' ' 579' ' ' ARG . 0.0 OUTLIER -131.49 -163.13 1.29 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 1.0 110.939 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 566' ' ' SER . . . . . 0.441 ' OG ' ' HB3' ' A' ' 633' ' ' GLN . 0.6 OUTLIER -160.68 140.19 10.79 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.511 1.132 . . . . 1.0 109.998 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 567' ' ' LYS . . . . . 0.614 ' HD2' ' CD1' ' A' ' 630' ' ' PHE . 2.2 tmpt? -161.97 147.55 13.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.574 1.172 . . . . 1.0 109.279 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 568' ' ' MET . . . . . 0.452 ' N ' ' HG2' ' A' ' 567' ' ' LYS . 0.0 OUTLIER -157.95 178.21 10.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 1.0 111.001 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 569' ' ' GLY . . . . . . . . . . . . . . . -179.52 126.2 1.03 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.493 1.12 . . . . 1.0 110.964 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 570' ' ' ASN . . . . . 0.516 ' CB ' ' CD ' ' A' ' 571' ' ' PRO . 1.4 m-20 -169.7 179.16 0.82 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.481 0.754 . . . . 1.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 571' ' ' PRO . . . . . 0.53 ' O ' ' CD1' ' A' ' 572' ' ' PHE . 18.3 Cg_endo -74.9 2.27 6.76 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.482 1.78 . . . . 1.0 111.044 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 572' ' ' PHE . . . . . 0.53 ' CD1' ' O ' ' A' ' 571' ' ' PRO . 9.9 m-85 -148.48 83.57 1.48 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.386 1.054 . . . . 1.0 110.985 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 1.8 tp -82.02 82.49 7.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 1.0 109.351 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 574' ' ' THR . . . . . 0.4 ' O ' ' CG2' ' A' ' 574' ' ' THR . 0.3 OUTLIER -132.15 1.2 3.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 1.0 110.373 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 575' ' ' GLN . . . . . 0.64 ' O ' ' CD1' ' A' ' 576' ' ' TRP . 26.3 pt20 -115.73 -178.08 3.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 1.0 110.257 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 576' ' ' TRP . . . . . 0.64 ' CD1' ' O ' ' A' ' 575' ' ' GLN . 17.6 m0 -156.03 124.99 6.05 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.0 -1.111 . . . . 1.0 108.0 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 577' ' ' GLN . . . . . 0.509 HE21 ' NE ' ' A' ' 579' ' ' ARG . 24.0 tt0 -120.67 121.75 38.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 1.0 110.273 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 578' ' ' ARG . . . . . 0.455 ' HD3' ' CE1' ' A' ' 564' ' ' TYR . 0.0 OUTLIER -88.26 118.08 27.62 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 1.0 110.324 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 579' ' ' ARG . . . . . 0.541 ' O ' ' O ' ' A' ' 565' ' ' MET . 1.5 mtt-85 -135.63 158.61 43.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 1.0 110.266 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 580' ' ' TYR . . . . . 0.464 ' CD1' ' O ' ' A' ' 563' ' ' GLY . 0.3 OUTLIER -87.08 129.71 34.8 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.521 1.138 . . . . 1.0 111.068 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 581' ' ' PHE . . . . . 0.678 ' CE1' ' CD1' ' A' ' 590' ' ' TRP . 1.7 m-85 -114.57 169.78 8.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.423 1.077 . . . . 1.0 111.101 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 582' ' ' TYR . . . . . 0.419 ' O ' ' HA ' ' A' ' 588' ' ' LEU . 8.7 m-85 -149.99 110.82 4.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 1.0 110.986 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 583' ' ' LEU . . . . . 0.825 ' HB2' ' CZ3' ' A' ' 643' ' ' TRP . 8.8 tp -88.78 111.23 21.77 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.633 1.208 . . . . 1.0 109.229 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 584' ' ' PHE . . . . . 0.556 ' O ' HD13 ' A' ' 560' ' ' ILE . 0.4 OUTLIER -96.97 171.24 6.26 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 1.0 111.073 179.925 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 585' ' ' PRO . . . . . 0.505 ' HD2' ' CD2' ' A' ' 584' ' ' PHE . 18.0 Cg_endo -75.03 9.38 2.06 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.419 1.747 . . . . 1.0 111.04 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 586' ' ' ASN . . . . . 0.657 ' O ' ' CG ' ' A' ' 603' ' ' MET . 77.0 m-20 -169.14 -46.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 1.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 587' ' ' ARG . . . . . 0.639 ' HA ' ' HA ' ' A' ' 602' ' ' THR . 2.9 mtp180 -91.9 -171.07 2.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 1.0 110.323 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 588' ' ' LEU . . . . . 0.56 ' HG ' ' CD1' ' A' ' 601' ' ' LEU . 0.0 OUTLIER 176.24 113.51 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.539 1.15 . . . . 1.0 109.339 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 589' ' ' GLU . . . . . . . . . . . . . 3.3 pm0 -127.49 172.46 10.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 1.0 110.283 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 590' ' ' TRP . . . . . 0.678 ' CD1' ' CE1' ' A' ' 581' ' ' PHE . 0.1 OUTLIER -147.25 116.01 6.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 1.0 108.009 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -105.57 170.23 8.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 1.0 110.276 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . 133.87 -130.05 5.51 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.436 1.085 . . . . 1.0 111.059 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -48.81 172.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 0.787 . . . . 1.0 110.256 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . 111.99 -151.55 17.96 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.424 1.077 . . . . 1.0 111.062 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 595' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -169.43 27.07 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.532 0.783 . . . . 1.0 110.354 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . 176.7 155.19 0.42 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 1.0 109.282 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 597' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 101.64 1.49 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.392 1.733 . . . . 1.0 111.002 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 598' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -147.32 50.02 1.09 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.436 1.085 . . . . 1.0 110.313 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 599' ' ' SER . . . . . 0.569 ' OG ' ' CZ2' ' A' ' 590' ' ' TRP . 3.5 m -155.6 71.45 0.76 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 1.0 109.952 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 3.8 pp -139.87 140.21 36.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 1.0 109.312 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 601' ' ' LEU . . . . . 0.56 ' CD1' ' HG ' ' A' ' 588' ' ' LEU . 4.2 pp -160.83 -178.1 6.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.371 1.044 . . . . 1.0 109.278 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 602' ' ' THR . . . . . 0.639 ' HA ' ' HA ' ' A' ' 587' ' ' ARG . 0.2 OUTLIER -126.73 -151.45 0.48 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.494 1.121 . . . . 1.0 110.37 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 603' ' ' MET . . . . . 0.657 ' CG ' ' O ' ' A' ' 586' ' ' ASN . 0.0 OUTLIER -133.16 28.72 4.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 1.0 110.991 -179.907 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -123.96 53.19 1.4 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.422 1.076 . . . . 1.0 110.343 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 605' ' ' GLU . . . . . 0.448 ' O ' ' C ' ' A' ' 606' ' ' ILE . 3.5 pt-20 -158.87 -54.18 0.06 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.659 1.225 . . . . 1.0 110.159 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 606' ' ' ILE . . . . . 0.929 ' CG2' ' CD2' ' A' ' 651' ' ' TYR . 1.2 mp -35.71 128.79 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.438 1.086 . . . . 1.0 109.241 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 607' ' ' GLN . . . . . 0.505 ' HG3' ' HA ' ' A' ' 625' ' ' ARG . 0.0 OUTLIER -84.39 -38.03 20.77 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 1.0 110.222 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 3.6 m -174.91 138.11 0.45 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 1.0 110.038 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 609' ' ' VAL . . . . . 0.57 ' CG1' ' HG3' ' A' ' 648' ' ' ARG . 5.2 p -103.96 136.71 35.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 1.0 109.246 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 610' ' ' GLU . . . . . 0.569 ' O ' ' N ' ' A' ' 621' ' ' LEU . 0.1 OUTLIER -158.86 157.46 31.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 1.0 110.266 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 611' ' ' GLU . . . . . 0.542 ' HA ' ' HA ' ' A' ' 620' ' ' LEU . 16.0 tt0 -111.34 144.73 40.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 1.0 110.296 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 612' ' ' THR . . . . . 0.523 ' C ' ' HB3' ' A' ' 618' ' ' LYS . 0.0 OUTLIER -104.74 163.86 12.19 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.481 1.113 . . . . 1.0 110.467 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 58.7 mt-30 -129.44 163.68 25.32 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.577 1.173 . . . . 1.0 110.32 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 614' ' ' ILE . . . . . 0.69 ' O ' ' CG2' ' A' ' 614' ' ' ILE . 0.2 OUTLIER -147.86 83.86 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.376 1.048 . . . . 1.0 109.291 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 615' ' ' LYS . . . . . 0.414 ' CB ' ' O ' ' A' ' 614' ' ' ILE . 7.2 mmtm 82.26 -32.34 0.09 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.427 1.079 . . . . 1.0 109.306 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 616' ' ' GLU . . . . . 0.431 ' H ' ' C ' ' A' ' 614' ' ' ILE . 2.3 tt0 -156.56 -49.64 0.07 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.124 . . . . 1.0 110.266 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 617' ' ' ARG . . . . . 0.526 ' NH1' ' OD1' ' A' ' 637' ' ' ASP . 7.0 ttt180 -157.08 139.62 14.91 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.449 1.093 . . . . 1.0 110.312 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 618' ' ' LYS . . . . . 0.563 ' HG2' ' CD1' ' A' ' 614' ' ' ILE . 12.7 tptt -118.48 -98.47 0.45 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 1.0 109.241 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 619' ' ' CYS . . . . . 0.47 ' O ' ' CG ' ' A' ' 611' ' ' GLU . 27.9 m -156.59 -177.2 6.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 1.0 108.236 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 620' ' ' LEU . . . . . 0.634 ' CD1' ' CD1' ' A' ' 640' ' ' LEU . 0.2 OUTLIER -96.38 148.43 22.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.441 1.088 . . . . 1.0 109.331 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 621' ' ' LEU . . . . . 0.569 ' N ' ' O ' ' A' ' 610' ' ' GLU . 0.1 OUTLIER -112.88 161.0 17.47 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 1.0 109.305 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 622' ' ' LEU . . . . . 0.57 ' CD2' ' HE2' ' A' ' 651' ' ' TYR . 9.1 mt -154.21 87.81 1.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 1.0 109.303 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 623' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.28 136.21 33.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 1.0 109.331 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 624' ' ' ILE . . . . . 0.703 ' HA ' ' HA ' ' A' ' 606' ' ' ILE . 58.9 mt -104.4 143.81 15.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 O-C-N 124.479 1.112 . . . . 1.0 109.285 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 625' ' ' ARG . . . . . 0.505 ' HA ' ' HG3' ' A' ' 607' ' ' GLN . 0.5 OUTLIER -77.34 2.71 15.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.598 1.186 . . . . 1.0 110.38 179.937 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 626' ' ' GLY . . . . . 0.411 ' H ' ' CG2' ' A' ' 624' ' ' ILE . . . -90.78 -24.04 28.9 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.498 1.124 . . . . 1.0 111.024 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 118.14 45.79 0.48 Allowed Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.02 -0.832 . . . . 1.0 111.02 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 628' ' ' LYS . . . . . . . . . . . . . 1.6 mtmm -147.45 168.6 21.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 0.766 . . . . 1.0 109.274 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 58.6 mt-30 -139.16 157.46 45.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 1.0 110.311 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 630' ' ' PHE . . . . . 0.614 ' CD1' ' HD2' ' A' ' 567' ' ' LYS . 0.8 OUTLIER -142.27 148.65 38.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.572 1.17 . . . . 1.0 110.976 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 631' ' ' ILE . . . . . 0.533 ' CG2' ' O ' ' A' ' 631' ' ' ILE . 0.2 OUTLIER -128.83 104.54 11.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.519 1.137 . . . . 1.0 109.296 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 632' ' ' LEU . . . . . 0.555 ' CD1' ' CD1' ' A' ' 622' ' ' LEU . 1.1 mp -90.52 154.98 19.22 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.105 . . . . 1.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 633' ' ' GLN . . . . . 0.447 ' HB2' ' SG ' ' A' ' 619' ' ' CYS . 1.0 OUTLIER -156.34 145.73 20.71 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.4 1.062 . . . . 1.0 110.269 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 634' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -153.98 152.44 30.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.396 1.06 . . . . 1.0 108.299 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 635' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -76.0 -16.69 59.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 1.0 109.263 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 636' ' ' SER . . . . . 0.474 ' CB ' ' HB2' ' A' ' 639' ' ' GLU . 0.4 OUTLIER -93.27 146.22 23.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 1.0 110.013 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 637' ' ' ASP . . . . . 0.684 ' N ' ' CD ' ' A' ' 638' ' ' PRO . 5.3 m-20 -81.42 -40.9 1.06 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 1.0 109.296 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 638' ' ' PRO . . . . . 0.684 ' CD ' ' N ' ' A' ' 637' ' ' ASP . 18.7 Cg_endo -74.86 -55.34 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.446 1.761 . . . . 1.0 111.064 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 639' ' ' GLU . . . . . 0.588 ' C ' ' O ' ' A' ' 638' ' ' PRO . 6.3 tp10 -22.2 -76.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 1.0 110.233 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 640' ' ' LEU . . . . . 0.634 ' CD1' ' CD1' ' A' ' 620' ' ' LEU . 0.1 OUTLIER -52.86 -52.48 57.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.553 1.158 . . . . 1.0 109.269 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 641' ' ' VAL . . . . . 0.494 ' N ' ' O ' ' A' ' 638' ' ' PRO . 0.6 OUTLIER -42.66 -55.6 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 1.0 109.25 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 642' ' ' GLN . . . . . 0.489 ' N ' ' CG1' ' A' ' 641' ' ' VAL . 0.0 OUTLIER -65.62 -38.58 89.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.438 1.086 . . . . 1.0 110.297 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 643' ' ' TRP . . . . . 0.825 ' CZ3' ' HB2' ' A' ' 583' ' ' LEU . 16.8 m95 -56.86 -46.61 81.69 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.569 1.168 . . . . 1.0 108.019 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 644' ' ' LYS . . . . . 0.594 ' HA ' ' HB2' ' A' ' 647' ' ' LEU . 1.8 ttpt -58.26 -56.65 19.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.594 1.184 . . . . 1.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 6.8 tmtm? -40.99 -51.22 3.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 1.0 109.297 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 646' ' ' GLU . . . . . 0.479 ' CB ' HD21 ' A' ' 583' ' ' LEU . 0.3 OUTLIER -72.82 -32.31 65.43 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.514 1.133 . . . . 1.0 110.226 -179.94 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 647' ' ' LEU . . . . . 0.594 ' HB2' ' HA ' ' A' ' 644' ' ' LYS . 0.5 OUTLIER -69.13 -62.73 1.26 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 1.0 109.286 -179.943 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 648' ' ' ARG . . . . . 0.57 ' HG3' ' CG1' ' A' ' 609' ' ' VAL . 1.4 ttt180 -41.49 -50.6 3.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.436 1.085 . . . . 1.0 110.265 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 649' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -61.98 -53.39 56.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 1.0 109.31 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 650' ' ' ALA . . . . . 0.538 ' O ' ' SD ' ' A' ' 603' ' ' MET . . . -41.57 -53.02 3.61 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.588 1.18 . . . . 1.0 109.391 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 651' ' ' TYR . . . . . 0.929 ' CD2' ' CG2' ' A' ' 606' ' ' ILE . 10.2 m-30 -69.85 -43.35 72.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 1.0 111.025 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 652' ' ' ARG . . . . . 0.501 ' O ' ' HB2' ' A' ' 655' ' ' GLN . 11.4 mmm180 -58.02 -64.82 0.78 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 1.0 110.282 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 653' ' ' GLU . . . . . 0.467 ' HA ' ' CG ' ' A' ' 656' ' ' GLN . 0.0 OUTLIER -40.91 -53.41 2.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.436 1.085 . . . . 1.0 110.281 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -47.34 -38.68 13.35 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.487 1.117 . . . . 1.0 109.333 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 655' ' ' GLN . . . . . 0.501 ' HB2' ' O ' ' A' ' 652' ' ' ARG . 64.5 mt-30 -67.08 -65.3 0.7 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 1.0 110.323 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 656' ' ' GLN . . . . . 0.467 ' CG ' ' HA ' ' A' ' 653' ' ' GLU . 2.4 pt20 -56.74 -19.13 15.25 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.522 1.139 . . . . 1.0 110.379 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 657' ' ' LEU . . . . . 0.465 ' HB2' ' O ' ' A' ' 653' ' ' GLU . 8.9 mp -87.96 -30.56 19.94 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 124.511 1.132 . . . . 1.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 658' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -106.02 15.36 7.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 1.0 109.259 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 659' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 655' ' ' GLN . 3.2 mt-30 -84.24 47.97 1.42 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.569 1.168 . . . . 1.0 110.262 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 660' ' ' ARG . . . . . . . . . . . . . 4.2 ttp85 -86.99 14.94 6.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 1.0 110.316 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 661' ' ' VAL . . . . . . . . . . . . . 7.6 p -134.34 114.49 12.5 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.597 1.186 . . . . 1.0 109.329 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 662' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 -171.68 1.05 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.514 1.797 . . . . 1.0 111.063 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.01 -55.72 17.32 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.575 1.172 . . . . 1.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 664' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -64.97 178.47 0.82 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 1.0 111.031 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 665' ' ' LYS . . . . . 0.41 ' O ' ' CB ' ' A' ' 666' ' ' ASN . 0.0 OUTLIER -65.06 -58.68 5.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.43 1.081 . . . . 1.0 109.272 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 666' ' ' ASN . . . . . 0.41 ' CB ' ' O ' ' A' ' 665' ' ' LYS . 30.1 t-20 75.14 -58.55 0.57 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 1.0 109.263 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.59 70.97 1.65 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 1.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 668' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 56.33 4.22 Favored 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.57 1.827 . . . . 1.0 111.021 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -166.54 118.01 0.98 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.444 1.09 . . . . 1.0 110.298 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 11.7 p . . . . . 0 C--O 1.249 1.043 0 CA-C-O 117.051 -1.452 . . . . 1.0 110.007 179.98 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.073 0 N-CA-C 110.979 -0.848 . . . . 1.0 110.979 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 553' ' ' SER . . . . . . . . . . . . . 32.8 p -178.39 99.63 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.533 0.784 . . . . 1.0 110.0 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 554' ' ' HIS . . . . . 0.44 ' C ' ' CD2' ' A' ' 554' ' ' HIS . 0.0 OUTLIER -175.16 165.28 3.38 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.596 1.185 . . . . 1.0 109.678 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 555' ' ' MET . . . . . . . . . . . . . 2.0 mpp? -122.26 164.03 18.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 1.0 110.963 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . -79.31 -171.03 40.47 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.54 1.15 . . . . 1.0 111.011 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 12.4 tttt -144.23 60.53 1.35 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.42 0.718 . . . . 1.0 109.271 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 558' ' ' ASP . . . . . 0.493 ' O ' ' CE2' ' A' ' 584' ' ' PHE . 0.1 OUTLIER -118.1 -95.16 0.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.417 1.073 . . . . 1.0 109.233 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 559' ' ' CYS . . . . . 0.45 ' SG ' ' O ' ' A' ' 583' ' ' LEU . 45.1 t -156.36 151.1 25.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 1.0 108.345 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 560' ' ' ILE . . . . . 0.582 HG21 ' HG2' ' A' ' 646' ' ' GLU . 34.1 mt -97.59 -57.52 4.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 1.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 561' ' ' MET . . . . . 0.556 ' CE ' ' OE1' ' A' ' 642' ' ' GLN . 0.0 OUTLIER -145.54 149.93 35.49 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.554 1.159 . . . . 1.0 111.015 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 562' ' ' HIS . . . . . . . . . . . . . 1.5 p80 -144.72 148.7 34.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 1.0 109.607 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 563' ' ' GLY . . . . . . . . . . . . . . . 170.06 -168.57 41.51 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.487 1.117 . . . . 1.0 110.995 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 564' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -97.1 125.53 41.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 0.745 . . . . 1.0 110.992 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 565' ' ' MET . . . . . 0.627 ' SD ' ' CD2' ' A' ' 640' ' ' LEU . 1.3 mtm -130.55 -176.64 4.04 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.442 1.089 . . . . 1.0 111.015 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 566' ' ' SER . . . . . 0.472 ' O ' ' N ' ' A' ' 633' ' ' GLN . 0.6 OUTLIER -154.9 101.83 2.3 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.532 1.145 . . . . 1.0 110.002 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 567' ' ' LYS . . . . . 0.567 ' HG2' ' O ' ' A' ' 631' ' ' ILE . 5.9 tmmm? -121.15 159.72 25.23 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.558 1.161 . . . . 1.0 109.244 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 568' ' ' MET . . . . . 0.421 ' N ' ' HD2' ' A' ' 567' ' ' LYS . 0.0 OUTLIER -171.87 175.17 3.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 1.0 110.951 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 569' ' ' GLY . . . . . 0.419 ' C ' ' CG ' ' A' ' 570' ' ' ASN . . . -173.2 121.39 0.86 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.488 1.118 . . . . 1.0 110.981 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 570' ' ' ASN . . . . . 0.581 ' CB ' ' CD ' ' A' ' 571' ' ' PRO . 0.0 OUTLIER -166.3 -177.66 0.61 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.538 0.787 . . . . 1.0 109.34 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 571' ' ' PRO . . . . . 0.581 ' CD ' ' CB ' ' A' ' 570' ' ' ASN . 18.0 Cg_endo -75.05 13.71 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.487 1.783 . . . . 1.0 110.913 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 572' ' ' PHE . . . . . 0.549 ' CE2' ' HG2' ' A' ' 571' ' ' PRO . 10.4 m-85 -141.36 88.01 2.12 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.427 1.079 . . . . 1.0 110.997 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -83.8 86.64 7.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 1.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 574' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -157.49 -30.7 0.08 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.446 1.091 . . . . 1.0 110.439 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 575' ' ' GLN . . . . . 0.607 ' O ' ' CD1' ' A' ' 576' ' ' TRP . 12.6 pt20 -95.6 164.13 12.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.478 1.111 . . . . 1.0 110.265 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 576' ' ' TRP . . . . . 0.607 ' CD1' ' O ' ' A' ' 575' ' ' GLN . 1.8 m-90 -146.34 136.04 23.22 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.002 -1.11 . . . . 1.0 108.002 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 577' ' ' GLN . . . . . 0.479 ' HG2' ' CG ' ' A' ' 579' ' ' ARG . 24.4 tt0 -101.69 118.3 36.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.598 1.186 . . . . 1.0 110.338 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 578' ' ' ARG . . . . . 0.413 ' C ' ' HG2' ' A' ' 579' ' ' ARG . 0.0 OUTLIER -83.95 104.22 13.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 1.0 110.201 -179.927 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 579' ' ' ARG . . . . . 0.5 ' O ' ' O ' ' A' ' 565' ' ' MET . 1.1 mmm180 -136.44 164.97 26.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 1.0 110.281 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 580' ' ' TYR . . . . . 0.416 ' N ' ' O ' ' A' ' 591' ' ' ARG . 0.8 OUTLIER -88.3 127.43 35.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.143 . . . . 1.0 110.963 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 581' ' ' PHE . . . . . 0.554 ' CE2' ' HB3' ' A' ' 590' ' ' TRP . 6.8 m-85 -113.44 165.31 12.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 1.0 111.039 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 582' ' ' TYR . . . . . 0.449 ' O ' ' HA ' ' A' ' 588' ' ' LEU . 0.6 OUTLIER -144.1 116.62 8.61 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.51 1.131 . . . . 1.0 111.018 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 583' ' ' LEU . . . . . 0.838 ' HB2' ' CZ3' ' A' ' 643' ' ' TRP . 6.8 tp -91.59 114.14 26.59 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.475 1.11 . . . . 1.0 109.268 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 584' ' ' PHE . . . . . 0.525 ' CD2' ' HD2' ' A' ' 585' ' ' PRO . 0.3 OUTLIER -106.49 168.21 8.47 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 1.0 111.077 179.936 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 585' ' ' PRO . . . . . 0.525 ' HD2' ' CD2' ' A' ' 584' ' ' PHE . 18.1 Cg_endo -75.02 22.78 0.41 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.553 1.818 . . . . 1.0 111.017 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 586' ' ' ASN . . . . . 0.687 ' HA ' ' CG ' ' A' ' 603' ' ' MET . 0.4 OUTLIER 174.55 -46.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 1.0 109.303 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 587' ' ' ARG . . . . . 0.563 ' HA ' ' HA ' ' A' ' 602' ' ' THR . 0.0 OUTLIER -90.82 -174.06 3.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 1.0 110.286 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 588' ' ' LEU . . . . . 0.481 ' N ' ' O ' ' A' ' 601' ' ' LEU . 0.1 OUTLIER 178.94 119.98 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 1.0 109.29 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 589' ' ' GLU . . . . . 0.415 ' N ' HD11 ' A' ' 588' ' ' LEU . 0.5 OUTLIER -109.88 157.41 19.26 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.453 1.095 . . . . 1.0 110.321 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 590' ' ' TRP . . . . . 0.554 ' HB3' ' CE2' ' A' ' 581' ' ' PHE . 6.4 p-90 -151.43 105.3 3.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 1.0 108.005 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 591' ' ' ARG . . . . . 0.448 ' NH2' ' HB2' ' A' ' 596' ' ' ALA . 0.8 OUTLIER -149.03 -171.24 3.83 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.509 1.13 . . . . 1.0 110.254 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . -102.04 -123.04 5.16 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.426 1.079 . . . . 1.0 110.974 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.4 128.72 34.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.374 0.691 . . . . 1.0 110.263 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . 131.57 -135.94 8.5 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.506 1.129 . . . . 1.0 110.987 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 595' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 168.64 30.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.611 0.83 . . . . 1.0 110.304 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 596' ' ' ALA . . . . . 0.448 ' HB2' ' NH2' ' A' ' 591' ' ' ARG . . . -90.42 155.48 46.29 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.466 1.104 . . . . 1.0 109.264 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 597' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 126.95 10.3 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.521 1.8 . . . . 1.0 110.992 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 598' ' ' GLN . . . . . 0.442 ' HB3' ' NE ' ' A' ' 591' ' ' ARG . 7.4 tt0 -156.04 -75.07 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 1.0 110.339 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 599' ' ' SER . . . . . 0.516 ' HB3' ' CE2' ' A' ' 590' ' ' TRP . 53.1 m -108.44 98.51 8.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.57 1.169 . . . . 1.0 109.935 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -128.86 149.38 50.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 1.0 109.24 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 601' ' ' LEU . . . . . 0.481 ' O ' ' N ' ' A' ' 588' ' ' LEU . 6.8 tp -150.37 156.42 41.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 1.0 109.301 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 602' ' ' THR . . . . . 0.563 ' HA ' ' HA ' ' A' ' 587' ' ' ARG . 0.2 OUTLIER -95.18 -165.95 1.38 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.423 1.077 . . . . 1.0 110.339 -179.9 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 603' ' ' MET . . . . . 0.687 ' CG ' ' HA ' ' A' ' 586' ' ' ASN . 0.1 OUTLIER -128.23 33.95 4.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.408 1.068 . . . . 1.0 111.003 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 604' ' ' GLU . . . . . 0.481 ' HB3' ' HB3' ' A' ' 654' ' ' ALA . 8.8 pt-20 -124.65 58.1 1.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 1.0 110.328 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 605' ' ' GLU . . . . . 0.502 ' O ' ' C ' ' A' ' 606' ' ' ILE . 2.7 pt-20 -158.9 -51.75 0.06 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.62 1.2 . . . . 1.0 110.272 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 606' ' ' ILE . . . . . 1.033 ' CG2' ' CD2' ' A' ' 651' ' ' TYR . 0.9 OUTLIER -32.74 137.4 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.527 1.142 . . . . 1.0 109.257 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 607' ' ' GLN . . . . . 0.581 ' HG3' ' HA ' ' A' ' 625' ' ' ARG . 0.0 OUTLIER -92.28 -37.38 12.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 1.0 110.363 179.937 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 608' ' ' SER . . . . . 0.404 ' HB2' ' HD3' ' A' ' 623' ' ' LYS . 1.1 m -173.97 133.06 0.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 1.0 109.956 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 609' ' ' VAL . . . . . 0.564 ' CG2' ' CD ' ' A' ' 644' ' ' LYS . 3.2 p -104.65 141.01 21.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 1.0 109.329 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 610' ' ' GLU . . . . . 0.532 ' CD ' ' CD2' ' A' ' 621' ' ' LEU . 0.5 OUTLIER -159.9 -170.83 3.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 1.0 110.246 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 611' ' ' GLU . . . . . 0.605 ' HA ' ' HA ' ' A' ' 620' ' ' LEU . 24.2 tt0 -141.19 145.04 35.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 1.0 110.323 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 612' ' ' THR . . . . . 0.576 ' C ' ' HB3' ' A' ' 618' ' ' LYS . 0.0 OUTLIER -108.77 167.23 10.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 1.0 110.452 179.932 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 13.1 mp0 -132.06 158.57 41.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 1.0 110.285 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 614' ' ' ILE . . . . . 0.676 ' O ' ' CG2' ' A' ' 614' ' ' ILE . 0.2 OUTLIER -142.96 84.56 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 1.0 109.355 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 615' ' ' LYS . . . . . 0.421 ' HB2' ' O ' ' A' ' 614' ' ' ILE . 4.6 mmtm 82.39 -34.59 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 1.0 109.326 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 616' ' ' GLU . . . . . 0.426 ' H ' ' C ' ' A' ' 614' ' ' ILE . 3.2 tt0 -156.33 -47.47 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 1.0 110.336 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 4.7 ttm180 -154.7 138.09 15.85 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 1.0 110.244 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 618' ' ' LYS . . . . . 0.58 ' CG ' HD11 ' A' ' 614' ' ' ILE . 6.9 tptt -118.15 -97.97 0.46 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 1.0 109.225 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 619' ' ' CYS . . . . . 0.494 ' O ' ' CG ' ' A' ' 611' ' ' GLU . 25.7 m -157.75 -175.88 5.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 1.0 108.344 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 620' ' ' LEU . . . . . 0.605 ' HA ' ' HA ' ' A' ' 611' ' ' GLU . 0.2 OUTLIER -100.05 137.1 38.96 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.575 1.172 . . . . 1.0 109.315 179.942 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 621' ' ' LEU . . . . . 0.532 ' CD2' ' CD ' ' A' ' 610' ' ' GLU . 3.0 tp -92.44 159.61 15.46 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.566 1.166 . . . . 1.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 622' ' ' LEU . . . . . 0.628 ' CD2' HG12 ' A' ' 606' ' ' ILE . 1.0 OUTLIER -157.53 87.87 0.97 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.527 1.142 . . . . 1.0 109.331 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 623' ' ' LYS . . . . . 0.404 ' HD3' ' HB2' ' A' ' 608' ' ' SER . 0.0 OUTLIER -91.79 137.64 32.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.446 1.091 . . . . 1.0 109.229 -179.904 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 624' ' ' ILE . . . . . 0.691 ' HA ' ' HA ' ' A' ' 606' ' ' ILE . 64.7 mt -106.32 143.79 16.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 1.0 109.413 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 625' ' ' ARG . . . . . 0.581 ' HA ' ' HG3' ' A' ' 607' ' ' GLN . 2.9 ptm180 -79.21 3.32 18.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.568 1.168 . . . . 1.0 110.243 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 626' ' ' GLY . . . . . 0.411 ' H ' ' CG2' ' A' ' 624' ' ' ILE . . . -89.78 -22.38 36.57 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.525 1.141 . . . . 1.0 111.063 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 116.99 43.75 0.6 Allowed Glycine 0 CA--C 1.53 0.974 0 N-CA-C 110.941 -0.864 . . . . 1.0 110.941 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 628' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -145.3 168.46 20.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 0.779 . . . . 1.0 109.191 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 8.5 mp0 -146.38 141.0 26.77 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.574 1.171 . . . . 1.0 110.321 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 630' ' ' PHE . . . . . 0.523 ' CD1' ' HD3' ' A' ' 567' ' ' LYS . 1.7 m-85 -134.54 162.81 31.24 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.474 1.109 . . . . 1.0 110.942 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 631' ' ' ILE . . . . . 0.567 ' O ' ' HG2' ' A' ' 567' ' ' LYS . 0.2 OUTLIER -138.67 113.05 7.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.099 . . . . 1.0 109.282 -179.94 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 632' ' ' LEU . . . . . 0.582 HD13 ' CD1' ' A' ' 622' ' ' LEU . 1.5 mp -86.04 157.54 20.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 1.0 109.344 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 633' ' ' GLN . . . . . 0.472 ' N ' ' O ' ' A' ' 566' ' ' SER . 7.2 tp60 -155.82 140.4 16.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 1.0 110.308 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 634' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -153.43 159.99 42.49 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.595 1.184 . . . . 1.0 108.361 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 635' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -83.61 -17.94 39.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.54 1.15 . . . . 1.0 109.314 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 636' ' ' SER . . . . . 0.599 ' HB2' ' CG ' ' A' ' 639' ' ' GLU . 7.4 m -91.24 150.93 21.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.42 1.075 . . . . 1.0 109.928 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 637' ' ' ASP . . . . . 0.677 ' N ' ' CD ' ' A' ' 638' ' ' PRO . 0.2 OUTLIER -87.19 -41.87 0.53 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.401 1.063 . . . . 1.0 109.317 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 638' ' ' PRO . . . . . 0.677 ' CD ' ' N ' ' A' ' 637' ' ' ASP . 18.0 Cg_endo -75.03 -58.94 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.222 0 O-C-N 124.537 1.809 . . . . 1.0 110.936 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 639' ' ' GLU . . . . . 0.606 ' C ' ' O ' ' A' ' 638' ' ' PRO . 10.3 mm-40 -20.92 -78.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.089 . . . . 1.0 110.291 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 640' ' ' LEU . . . . . 0.627 ' CD2' ' SD ' ' A' ' 565' ' ' MET . 0.1 OUTLIER -51.04 -54.04 28.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.556 1.16 . . . . 1.0 109.236 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 641' ' ' VAL . . . . . 0.492 ' N ' ' O ' ' A' ' 638' ' ' PRO . 0.9 OUTLIER -41.48 -57.75 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 1.0 109.298 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 642' ' ' GLN . . . . . 0.556 ' OE1' ' CE ' ' A' ' 561' ' ' MET . 21.9 mt-30 -61.02 -40.5 93.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 1.0 110.347 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 643' ' ' TRP . . . . . 0.838 ' CZ3' ' HB2' ' A' ' 583' ' ' LEU . 12.7 m95 -52.84 -49.89 64.83 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.024 -1.102 . . . . 1.0 108.024 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 644' ' ' LYS . . . . . 0.564 ' CD ' ' CG2' ' A' ' 609' ' ' VAL . 0.5 OUTLIER -53.12 -57.48 10.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 1.0 109.349 179.953 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 9.9 tmtt? -40.1 -54.97 2.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.158 . . . . 1.0 109.173 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 646' ' ' GLU . . . . . 0.582 ' HG2' HG21 ' A' ' 560' ' ' ILE . 0.6 OUTLIER -69.76 -30.26 67.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 1.0 110.283 -179.918 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 647' ' ' LEU . . . . . 0.591 HD21 ' CZ ' ' A' ' 651' ' ' TYR . 2.4 mt -71.14 -62.76 1.28 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.485 1.116 . . . . 1.0 109.239 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 648' ' ' ARG . . . . . 0.553 ' N ' ' O ' ' A' ' 644' ' ' LYS . 2.0 ttp180 -37.73 -54.4 1.22 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.523 1.14 . . . . 1.0 110.287 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 649' ' ' ASP . . . . . 0.409 ' O ' ' N ' ' A' ' 653' ' ' GLU . 0.4 OUTLIER -61.57 -43.11 99.47 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.523 1.139 . . . . 1.0 109.368 179.937 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 650' ' ' ALA . . . . . 0.54 ' HB3' ' SD ' ' A' ' 603' ' ' MET . . . -51.23 -47.91 62.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 1.0 109.266 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 651' ' ' TYR . . . . . 1.033 ' CD2' ' CG2' ' A' ' 606' ' ' ILE . 13.9 m-30 -75.41 -39.42 59.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.424 1.078 . . . . 1.0 110.949 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 652' ' ' ARG . . . . . 0.497 ' O ' ' HB2' ' A' ' 655' ' ' GLN . 36.5 mtp85 -63.22 -63.02 1.31 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.449 1.093 . . . . 1.0 110.289 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 653' ' ' GLU . . . . . 0.575 ' HA ' ' CG ' ' A' ' 656' ' ' GLN . 0.8 OUTLIER -45.48 -53.33 9.01 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.401 1.063 . . . . 1.0 110.317 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 654' ' ' ALA . . . . . 0.481 ' HB3' ' HB3' ' A' ' 604' ' ' GLU . . . -48.6 -36.39 15.62 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.546 1.153 . . . . 1.0 109.318 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 655' ' ' GLN . . . . . 0.497 ' HB2' ' O ' ' A' ' 652' ' ' ARG . 62.7 mt-30 -72.34 -66.84 0.6 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 1.0 110.31 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 656' ' ' GLN . . . . . 0.575 ' CG ' ' HA ' ' A' ' 653' ' ' GLU . 3.7 pt20 -51.45 -21.21 2.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 1.0 110.304 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 657' ' ' LEU . . . . . 0.479 ' HB2' ' O ' ' A' ' 653' ' ' GLU . 8.9 mp -87.23 -25.96 23.75 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.115 . . . . 1.0 109.338 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 658' ' ' VAL . . . . . 0.477 ' N ' ' O ' ' A' ' 655' ' ' GLN . 4.0 p -109.25 14.92 8.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 1.0 109.308 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 659' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' A' ' 655' ' ' GLN . 1.0 OUTLIER -82.82 -38.34 23.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 1.0 110.354 179.938 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 660' ' ' ARG . . . . . 0.437 ' O ' ' C ' ' A' ' 661' ' ' VAL . 0.0 OUTLIER -80.35 6.13 12.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 1.0 110.406 179.911 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 661' ' ' VAL . . . . . 0.437 ' C ' ' O ' ' A' ' 660' ' ' ARG . 5.6 p 37.85 66.83 2.23 Favored Pre-proline 0 C--N 1.326 -0.419 0 O-C-N 124.502 1.126 . . . . 1.0 109.258 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 662' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.13 53.88 3.53 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.467 1.772 . . . . 1.0 111.012 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 3.5 ttpp -149.36 -52.87 0.16 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.563 1.164 . . . . 1.0 109.253 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 664' ' ' MET . . . . . 0.484 ' O ' ' CB ' ' A' ' 665' ' ' LYS . 0.0 OUTLIER -123.35 115.53 21.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 1.0 111.066 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 665' ' ' LYS . . . . . 0.484 ' CB ' ' O ' ' A' ' 664' ' ' MET . 0.8 OUTLIER 86.0 -50.98 0.07 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 1.0 109.295 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 666' ' ' ASN . . . . . . . . . . . . . 1.7 m120 70.54 -61.46 0.47 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.432 1.082 . . . . 1.0 109.305 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 10.5 tmtt? 67.85 116.29 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 1.0 109.215 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 668' ' ' PRO . . . . . 0.497 ' O ' ' CG ' ' A' ' 669' ' ' ARG . 18.4 Cg_endo -74.97 55.76 4.03 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.473 1.775 . . . . 1.0 110.961 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . 0.497 ' CG ' ' O ' ' A' ' 668' ' ' PRO . 9.2 ptt-85 45.12 -169.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.554 1.159 . . . . 1.0 110.361 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 45.2 t . . . . . 0 C--O 1.25 1.115 0 CA-C-O 117.026 -1.464 . . . . 1.0 109.968 -179.948 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.052 0 N-CA-C 111.036 -0.825 . . . . 1.0 111.036 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 553' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -166.39 165.16 17.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.596 0.821 . . . . 1.0 109.98 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 554' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER 66.57 159.35 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 1.0 109.597 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 555' ' ' MET . . . . . 0.491 ' HB2' ' CG ' ' A' ' 586' ' ' ASN . 11.3 mmt -153.24 91.67 1.54 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.483 1.114 . . . . 1.0 110.916 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . 45.11 -159.77 0.16 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.534 1.146 . . . . 1.0 111.024 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 20.1 tttt -143.68 79.26 1.62 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.389 0.699 . . . . 1.0 109.354 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 558' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -149.73 107.65 3.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 1.0 109.283 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 559' ' ' CYS . . . . . 0.505 ' SG ' ' CD1' ' A' ' 584' ' ' PHE . 3.2 t -69.41 139.25 54.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.577 1.173 . . . . 1.0 108.309 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 560' ' ' ILE . . . . . 0.691 ' HB ' ' CD2' ' A' ' 583' ' ' LEU . 3.9 mt -90.41 -57.0 4.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 1.0 109.253 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 561' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.13 146.1 30.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 1.0 111.047 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 562' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -148.7 152.16 36.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 1.0 109.589 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 563' ' ' GLY . . . . . . . . . . . . . . . 157.08 -158.9 29.23 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.485 1.116 . . . . 1.0 110.996 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 564' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -88.15 126.92 35.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 0.752 . . . . 1.0 110.992 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 565' ' ' MET . . . . . 0.643 ' O ' ' O ' ' A' ' 579' ' ' ARG . 0.0 OUTLIER -144.47 134.29 23.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 1.0 111.004 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 566' ' ' SER . . . . . 0.517 ' O ' ' N ' ' A' ' 633' ' ' GLN . 0.2 OUTLIER -101.97 114.04 27.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.115 . . . . 1.0 110.044 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 567' ' ' LYS . . . . . 0.576 ' HE2' ' CD1' ' A' ' 630' ' ' PHE . 7.7 tttt -153.43 138.97 17.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 1.0 109.27 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 568' ' ' MET . . . . . 0.468 ' N ' ' HG2' ' A' ' 567' ' ' LYS . 0.0 OUTLIER 170.45 -160.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.09 . . . . 1.0 110.994 179.912 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 569' ' ' GLY . . . . . . . . . . . . . . . 64.42 140.39 0.02 OUTLIER Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.415 1.072 . . . . 1.0 111.008 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 570' ' ' ASN . . . . . 0.747 ' CB ' ' HD3' ' A' ' 571' ' ' PRO . 0.4 OUTLIER -148.01 -63.96 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.524 0.779 . . . . 1.0 109.357 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 571' ' ' PRO . . . . . 0.747 ' HD3' ' CB ' ' A' ' 570' ' ' ASN . 18.4 Cg_endo -74.95 -32.26 5.61 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.555 1.818 . . . . 1.0 110.978 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 572' ' ' PHE . . . . . 0.472 ' CE2' ' HG2' ' A' ' 571' ' ' PRO . 1.4 m-85 -127.54 81.81 2.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.607 1.192 . . . . 1.0 110.944 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 1.2 tp -83.88 85.35 7.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.431 1.082 . . . . 1.0 109.308 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 574' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -131.41 -41.69 1.08 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.504 1.127 . . . . 1.0 110.39 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 25.8 pt20 -128.25 150.23 50.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 1.0 110.329 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 576' ' ' TRP . . . . . 0.455 ' CE3' ' HG3' ' A' ' 633' ' ' GLN . 1.1 m-90 -111.51 175.84 5.26 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 107.951 -1.129 . . . . 1.0 107.951 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 577' ' ' GLN . . . . . 0.425 ' O ' ' HB2' ' A' ' 566' ' ' SER . 1.4 mm-40 -143.58 140.68 30.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.568 1.168 . . . . 1.0 110.234 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 578' ' ' ARG . . . . . 0.431 ' HA ' ' HB2' ' A' ' 566' ' ' SER . 1.4 mpt_? -83.93 118.66 24.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.569 1.168 . . . . 1.0 110.256 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 579' ' ' ARG . . . . . 0.643 ' O ' ' O ' ' A' ' 565' ' ' MET . 48.4 mtp180 -142.77 162.71 34.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 1.0 110.305 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 580' ' ' TYR . . . . . 0.418 ' CD1' ' HE1' ' A' ' 582' ' ' TYR . 0.2 OUTLIER -88.73 119.71 29.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.452 1.095 . . . . 1.0 111.027 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 581' ' ' PHE . . . . . 0.564 ' CZ ' ' HB3' ' A' ' 590' ' ' TRP . 4.7 m-85 -119.12 155.79 30.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 1.0 111.054 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 582' ' ' TYR . . . . . 0.427 ' O ' ' HA ' ' A' ' 588' ' ' LEU . 7.2 m-85 -136.05 117.89 15.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 1.0 111.037 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 583' ' ' LEU . . . . . 0.691 ' CD2' ' HB ' ' A' ' 560' ' ' ILE . 6.5 tt -89.05 119.68 29.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 1.0 109.271 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 584' ' ' PHE . . . . . 0.632 ' CD2' ' HD2' ' A' ' 585' ' ' PRO . 0.2 OUTLIER -110.6 -176.74 0.41 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.402 1.064 . . . . 1.0 110.989 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 585' ' ' PRO . . . . . 0.632 ' HD2' ' CD2' ' A' ' 584' ' ' PHE . 18.2 Cg_endo -75.07 7.99 2.64 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.542 1.811 . . . . 1.0 110.98 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 586' ' ' ASN . . . . . 0.686 ' HA ' ' CG ' ' A' ' 603' ' ' MET . 7.3 p-10 173.73 -33.07 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.145 . . . . 1.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 587' ' ' ARG . . . . . 0.694 ' O ' ' CE ' ' A' ' 603' ' ' MET . 14.9 mtp180 -89.71 173.79 8.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 1.0 110.311 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 588' ' ' LEU . . . . . 0.507 ' O ' ' N ' ' A' ' 601' ' ' LEU . 0.1 OUTLIER -169.53 131.38 1.14 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.43 1.082 . . . . 1.0 109.304 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 589' ' ' GLU . . . . . 0.481 ' N ' HD11 ' A' ' 588' ' ' LEU . 0.8 OUTLIER -116.65 150.21 38.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 1.0 110.3 179.94 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 590' ' ' TRP . . . . . 0.564 ' HB3' ' CZ ' ' A' ' 581' ' ' PHE . 0.6 OUTLIER -143.61 87.98 1.97 Allowed 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 107.912 -1.144 . . . . 1.0 107.912 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 1.3 mmt180 -103.59 178.82 4.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.125 . . . . 1.0 110.246 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . 155.91 -172.15 33.86 Favored Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.507 1.129 . . . . 1.0 111.051 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -81.08 165.67 21.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 0.734 . . . . 1.0 110.344 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . 38.83 79.43 0.04 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.449 1.093 . . . . 1.0 110.959 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 595' ' ' GLU . . . . . . . . . . . . . 20.0 tp10 -177.73 164.44 1.98 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 0.747 . . . . 1.0 110.377 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . -79.61 162.61 62.45 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 1.0 109.249 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 597' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -74.93 -12.5 21.66 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.401 1.737 . . . . 1.0 111.008 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 598' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -92.44 94.94 9.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.419 1.074 . . . . 1.0 110.294 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 599' ' ' SER . . . . . 0.424 ' HB3' ' CD2' ' A' ' 590' ' ' TRP . 39.4 m -154.34 77.43 1.06 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.425 1.078 . . . . 1.0 109.961 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 1.3 mt -140.27 107.86 5.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 1.0 109.302 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 601' ' ' LEU . . . . . 0.507 ' N ' ' O ' ' A' ' 588' ' ' LEU . 2.3 mm? -102.49 169.88 8.39 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.52 1.138 . . . . 1.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 602' ' ' THR . . . . . 0.537 HG21 ' HA ' ' A' ' 587' ' ' ARG . 0.0 OUTLIER -127.55 -177.22 4.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 1.0 110.377 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 603' ' ' MET . . . . . 0.694 ' CE ' ' O ' ' A' ' 587' ' ' ARG . 0.0 OUTLIER -127.0 44.47 2.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 1.0 110.932 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 604' ' ' GLU . . . . . 0.422 ' HA ' ' HB2' ' A' ' 654' ' ' ALA . 17.2 pt-20 -127.14 44.65 2.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 1.0 110.227 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 605' ' ' GLU . . . . . 0.567 ' O ' ' C ' ' A' ' 606' ' ' ILE . 2.8 pt-20 -157.67 -51.16 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 1.0 110.359 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 606' ' ' ILE . . . . . 0.94 ' CG2' ' CD2' ' A' ' 651' ' ' TYR . 0.9 OUTLIER -25.88 133.22 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.524 1.14 . . . . 1.0 109.285 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 607' ' ' GLN . . . . . 0.549 ' HG2' ' CB ' ' A' ' 625' ' ' ARG . 0.1 OUTLIER -85.81 -38.37 18.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 1.0 110.355 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 608' ' ' SER . . . . . 0.437 ' HB2' ' HD3' ' A' ' 623' ' ' LYS . 5.2 m -175.06 133.93 0.33 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 1.0 110.044 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 609' ' ' VAL . . . . . 0.574 ' CG2' ' CD ' ' A' ' 644' ' ' LYS . 3.0 p -107.64 139.35 29.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.564 1.165 . . . . 1.0 109.279 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 610' ' ' GLU . . . . . 0.512 ' HG3' ' CD2' ' A' ' 621' ' ' LEU . 1.0 OUTLIER -159.09 -167.74 2.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 1.0 110.278 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 611' ' ' GLU . . . . . 0.635 ' HA ' ' HA ' ' A' ' 620' ' ' LEU . 24.8 tt0 -138.27 147.3 43.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 1.0 110.347 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 612' ' ' THR . . . . . 0.5 ' O ' ' HB3' ' A' ' 618' ' ' LYS . 0.0 OUTLIER -109.87 161.39 15.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.436 1.085 . . . . 1.0 110.461 179.937 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 63.2 mt-30 -125.63 163.31 23.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 1.0 110.264 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 614' ' ' ILE . . . . . 0.71 ' O ' ' CG2' ' A' ' 614' ' ' ILE . 0.1 OUTLIER -149.14 82.38 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.125 . . . . 1.0 109.303 179.912 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 615' ' ' LYS . . . . . 0.431 ' HB2' ' O ' ' A' ' 614' ' ' ILE . 9.0 mmtt 82.12 -31.49 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 1.0 109.275 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 616' ' ' GLU . . . . . 0.43 ' H ' ' C ' ' A' ' 614' ' ' ILE . 0.9 OUTLIER -157.13 -49.77 0.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.439 1.087 . . . . 1.0 110.374 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 7.1 ttt85 -157.96 141.58 15.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 1.0 110.328 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 618' ' ' LYS . . . . . 0.515 ' HG2' ' CD1' ' A' ' 614' ' ' ILE . 8.8 tptt -120.81 -97.68 0.46 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.431 1.082 . . . . 1.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 619' ' ' CYS . . . . . 0.468 ' O ' ' CG ' ' A' ' 611' ' ' GLU . 2.2 m -157.41 -177.24 6.45 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.448 1.093 . . . . 1.0 108.306 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 620' ' ' LEU . . . . . 0.635 ' HA ' ' HA ' ' A' ' 611' ' ' GLU . 0.1 OUTLIER -96.94 140.44 31.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.577 1.173 . . . . 1.0 109.222 -179.942 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 621' ' ' LEU . . . . . 0.512 ' CD2' ' HG3' ' A' ' 610' ' ' GLU . 0.7 OUTLIER -97.85 161.17 13.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 1.0 109.282 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 622' ' ' LEU . . . . . 0.685 ' CD2' HG12 ' A' ' 606' ' ' ILE . 0.7 OUTLIER -157.3 91.39 1.17 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.479 1.112 . . . . 1.0 109.315 -179.94 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 623' ' ' LYS . . . . . 0.437 ' HD3' ' HB2' ' A' ' 608' ' ' SER . 0.0 OUTLIER -95.07 136.34 35.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 1.0 109.195 -179.915 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 624' ' ' ILE . . . . . 0.809 ' HA ' ' HA ' ' A' ' 606' ' ' ILE . 58.6 mt -102.19 143.62 14.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 124.538 1.149 . . . . 1.0 109.356 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 625' ' ' ARG . . . . . 0.549 ' CB ' ' HG2' ' A' ' 607' ' ' GLN . 5.3 ptm180 -79.26 3.2 18.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.436 1.085 . . . . 1.0 110.253 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 626' ' ' GLY . . . . . 0.411 ' H ' ' CG2' ' A' ' 624' ' ' ILE . . . -88.52 -24.91 32.0 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.47 1.106 . . . . 1.0 111.007 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 119.57 42.64 0.53 Allowed Glycine 0 CA--C 1.53 0.978 0 N-CA-C 111.063 -0.815 . . . . 1.0 111.063 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 628' ' ' LYS . . . . . . . . . . . . . 4.6 mtmm -143.0 170.92 14.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.392 0.701 . . . . 1.0 109.335 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -144.06 136.99 27.27 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.515 1.134 . . . . 1.0 110.314 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 630' ' ' PHE . . . . . 0.576 ' CD1' ' HE2' ' A' ' 567' ' ' LYS . 1.5 m-85 -130.72 155.18 47.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.454 1.096 . . . . 1.0 110.998 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 631' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -130.26 123.16 55.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 1.0 109.393 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 632' ' ' LEU . . . . . 0.555 HD13 ' CG ' ' A' ' 622' ' ' LEU . 0.7 OUTLIER -97.19 156.21 16.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 1.0 109.32 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 633' ' ' GLN . . . . . 0.517 ' N ' ' O ' ' A' ' 566' ' ' SER . 1.0 OUTLIER -157.62 125.1 5.21 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.585 1.178 . . . . 1.0 110.292 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 634' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -139.84 154.24 47.27 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 1.0 108.373 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 635' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -79.56 -21.02 45.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.101 . . . . 1.0 109.357 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 636' ' ' SER . . . . . 0.468 ' CB ' ' HB2' ' A' ' 639' ' ' GLU . 0.4 OUTLIER -86.37 148.7 25.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 1.0 109.95 -179.903 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 637' ' ' ASP . . . . . 0.642 ' N ' ' CD ' ' A' ' 638' ' ' PRO . 0.3 OUTLIER -84.6 -44.23 0.71 Allowed Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.559 1.162 . . . . 1.0 109.259 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 638' ' ' PRO . . . . . 0.642 ' CD ' ' N ' ' A' ' 637' ' ' ASP . 18.2 Cg_endo -75.04 -52.88 0.1 Allowed 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.561 1.822 . . . . 1.0 110.935 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 639' ' ' GLU . . . . . 0.557 ' C ' ' O ' ' A' ' 638' ' ' PRO . 11.9 mm-40 -24.89 -81.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.397 1.06 . . . . 1.0 110.277 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 640' ' ' LEU . . . . . 0.528 HD13 ' CD2' ' A' ' 620' ' ' LEU . 0.1 OUTLIER -48.91 -46.78 43.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 1.0 109.285 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 641' ' ' VAL . . . . . 0.506 ' CG1' ' N ' ' A' ' 642' ' ' GLN . 0.7 OUTLIER -45.01 -56.93 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 1.0 109.287 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 642' ' ' GLN . . . . . 0.506 ' N ' ' CG1' ' A' ' 641' ' ' VAL . 0.2 OUTLIER -64.05 -42.49 97.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.544 1.153 . . . . 1.0 110.325 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 643' ' ' TRP . . . . . 0.684 ' CZ3' ' HB2' ' A' ' 583' ' ' LEU . 33.9 m95 -52.85 -40.77 63.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 1.0 108.013 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 644' ' ' LYS . . . . . 0.574 ' CD ' ' CG2' ' A' ' 609' ' ' VAL . 0.0 OUTLIER -64.32 -61.48 2.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.56 1.163 . . . . 1.0 109.346 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 645' ' ' LYS . . . . . 0.459 ' CD ' ' OE1' ' A' ' 646' ' ' GLU . 2.6 tmtm? -39.47 -54.11 1.97 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.411 1.07 . . . . 1.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 646' ' ' GLU . . . . . 0.606 ' HB3' HD23 ' A' ' 583' ' ' LEU . 0.2 OUTLIER -69.29 -32.16 71.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 1.0 110.347 179.937 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 647' ' ' LEU . . . . . 0.603 ' HG ' ' CD1' ' A' ' 583' ' ' LEU . 12.0 mt -68.03 -59.97 2.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 1.0 109.328 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 648' ' ' ARG . . . . . 0.497 ' N ' ' O ' ' A' ' 644' ' ' LYS . 1.7 ttm105 -40.72 -52.54 2.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 1.0 110.275 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 649' ' ' ASP . . . . . 0.431 ' O ' ' N ' ' A' ' 653' ' ' GLU . 0.4 OUTLIER -63.98 -43.54 95.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.577 1.173 . . . . 1.0 109.248 -179.94 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 650' ' ' ALA . . . . . 0.607 ' HB2' ' CG ' ' A' ' 603' ' ' MET . . . -50.76 -45.11 58.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 1.0 109.354 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 651' ' ' TYR . . . . . 0.94 ' CD2' ' CG2' ' A' ' 606' ' ' ILE . 18.8 m-30 -78.03 -39.9 40.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 1.0 111.021 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 652' ' ' ARG . . . . . 0.485 ' O ' ' HB2' ' A' ' 655' ' ' GLN . 48.8 mtp85 -64.1 -62.47 1.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 1.0 110.327 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 653' ' ' GLU . . . . . 0.579 ' HA ' ' CG ' ' A' ' 656' ' ' GLN . 0.0 OUTLIER -49.91 -55.78 13.11 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.473 1.108 . . . . 1.0 110.334 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 654' ' ' ALA . . . . . 0.453 ' HB1' ' O ' ' A' ' 603' ' ' MET . . . -45.87 -34.86 4.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 1.0 109.293 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 655' ' ' GLN . . . . . 0.485 ' HB2' ' O ' ' A' ' 652' ' ' ARG . 64.5 mt-30 -74.75 -67.35 0.65 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 1.0 110.256 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 656' ' ' GLN . . . . . 0.579 ' CG ' ' HA ' ' A' ' 653' ' ' GLU . 4.4 pt20 -52.14 -21.37 3.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.592 1.183 . . . . 1.0 110.311 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 657' ' ' LEU . . . . . 0.493 ' HB2' ' O ' ' A' ' 653' ' ' GLU . 10.2 mp -86.58 -25.27 25.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 1.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 658' ' ' VAL . . . . . 0.474 ' N ' ' O ' ' A' ' 655' ' ' GLN . 4.3 p -109.51 12.99 8.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 1.0 109.26 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 659' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 655' ' ' GLN . 0.0 OUTLIER -70.16 -73.85 0.15 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 1.0 110.332 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 660' ' ' ARG . . . . . . . . . . . . . 15.5 ptt180 -150.39 48.24 0.89 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.44 1.088 . . . . 1.0 110.271 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 661' ' ' VAL . . . . . . . . . . . . . 95.0 t -106.01 129.19 24.98 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 1.0 109.323 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 662' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.07 177.58 8.41 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.462 1.769 . . . . 1.0 110.942 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -74.91 64.06 1.26 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 1.0 109.294 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 664' ' ' MET . . . . . 0.4 ' O ' ' O ' ' A' ' 665' ' ' LYS . 0.0 OUTLIER 54.55 79.51 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.095 . . . . 1.0 111.129 -179.9 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 665' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' A' ' 664' ' ' MET . 30.8 tptt 40.51 89.84 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 1.0 109.246 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 666' ' ' ASN . . . . . . . . . . . . . 25.7 m-20 -81.17 58.33 3.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 1.0 109.311 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 7.5 ttmt -150.8 123.29 4.11 Favored Pre-proline 0 C--N 1.323 -0.557 0 O-C-N 124.532 1.145 . . . . 1.0 109.296 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 668' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -38.48 1.57 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.474 1.776 . . . . 1.0 111.007 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 14.0 tpt180 62.0 146.34 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.594 1.183 . . . . 1.0 110.316 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.109 0 CA-C-O 116.973 -1.489 . . . . 1.0 109.969 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 110.947 -0.861 . . . . 1.0 110.947 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 553' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 179.79 160.05 0.8 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.436 0.727 . . . . 1.0 110.059 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 554' ' ' HIS . . . . . . . . . . . . . 19.1 m-70 53.19 99.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 1.0 109.58 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 555' ' ' MET . . . . . . . . . . . . . 11.5 ptp -157.95 124.61 4.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 1.0 110.911 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . -98.51 -163.2 30.43 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.554 1.159 . . . . 1.0 110.986 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 557' ' ' LYS . . . . . 0.755 ' O ' ' HG3' ' A' ' 585' ' ' PRO . 56.9 tttt -157.7 110.35 2.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 0.733 . . . . 1.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 558' ' ' ASP . . . . . 0.783 ' O ' ' HD3' ' A' ' 585' ' ' PRO . 16.2 m-20 -77.05 -107.97 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.579 1.175 . . . . 1.0 109.345 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 559' ' ' CYS . . . . . 0.576 ' SG ' ' CD2' ' A' ' 562' ' ' HIS . 0.7 OUTLIER -66.17 112.31 3.86 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.368 1.042 . . . . 1.0 108.266 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 560' ' ' ILE . . . . . 0.66 HD13 ' C ' ' A' ' 584' ' ' PHE . 26.5 mt -76.38 -56.95 6.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.552 1.157 . . . . 1.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 561' ' ' MET . . . . . 0.434 ' CE ' ' OE1' ' A' ' 642' ' ' GLN . 0.0 OUTLIER -147.64 157.83 43.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.151 . . . . 1.0 111.0 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 562' ' ' HIS . . . . . 0.576 ' CD2' ' SG ' ' A' ' 559' ' ' CYS . 0.1 OUTLIER -158.89 154.3 25.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 1.0 109.574 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 563' ' ' GLY . . . . . . . . . . . . . . . 169.77 -162.87 36.35 Favored Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.414 1.071 . . . . 1.0 111.051 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 564' ' ' TYR . . . . . 0.459 ' HE1' ' CA ' ' A' ' 579' ' ' ARG . 0.4 OUTLIER -108.42 120.2 41.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 0.777 . . . . 1.0 111.007 179.909 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 565' ' ' MET . . . . . 0.629 ' SD ' ' CE2' ' A' ' 643' ' ' TRP . 1.6 ptm -152.6 154.55 35.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 1.0 111.055 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 566' ' ' SER . . . . . 0.689 ' HG ' ' NE2' ' A' ' 633' ' ' GLN . 0.1 OUTLIER -116.92 172.23 7.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 1.0 109.986 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 567' ' ' LYS . . . . . 0.625 ' O ' ' CE3' ' A' ' 576' ' ' TRP . 0.0 OUTLIER -156.99 139.03 14.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 1.0 109.276 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 568' ' ' MET . . . . . 0.448 ' N ' ' HG2' ' A' ' 567' ' ' LYS . 22.2 mtt -127.92 -169.36 2.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 1.0 111.042 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 569' ' ' GLY . . . . . 0.408 ' H ' ' CD2' ' A' ' 573' ' ' LEU . . . -119.35 -81.52 0.72 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.53 1.144 . . . . 1.0 110.993 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 570' ' ' ASN . . . . . 0.6 ' HB3' ' HD2' ' A' ' 571' ' ' PRO . 0.6 OUTLIER -74.47 173.04 7.26 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.572 0.807 . . . . 1.0 109.35 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 571' ' ' PRO . . . . . 0.6 ' HD2' ' HB3' ' A' ' 570' ' ' ASN . 18.3 Cg_endo -75.07 2.14 7.0 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.541 1.811 . . . . 1.0 110.953 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 572' ' ' PHE . . . . . 0.585 ' CZ ' ' HG2' ' A' ' 571' ' ' PRO . 1.2 m-85 -145.35 52.62 1.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.423 1.077 . . . . 1.0 110.972 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 573' ' ' LEU . . . . . 0.474 ' CD1' ' OD1' ' A' ' 570' ' ' ASN . 5.1 tp -91.47 87.24 6.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 1.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 574' ' ' THR . . . . . . . . . . . . . 7.3 t -90.61 25.59 2.27 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.474 1.109 . . . . 1.0 110.45 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -118.54 26.2 9.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 1.0 110.344 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 576' ' ' TRP . . . . . 0.625 ' CE3' ' O ' ' A' ' 567' ' ' LYS . 0.5 OUTLIER -132.81 175.77 9.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 1.0 108.025 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 577' ' ' GLN . . . . . 0.508 ' O ' ' HB2' ' A' ' 566' ' ' SER . 70.6 mt-30 -158.63 179.15 9.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.428 1.08 . . . . 1.0 110.291 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 578' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -80.51 120.38 24.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.587 1.18 . . . . 1.0 110.306 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 579' ' ' ARG . . . . . 0.522 ' O ' ' O ' ' A' ' 565' ' ' MET . 0.4 OUTLIER -125.97 163.96 21.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.577 1.173 . . . . 1.0 110.272 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 580' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -89.22 128.15 35.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 1.0 111.001 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 581' ' ' PHE . . . . . 0.549 ' CZ ' ' HB2' ' A' ' 590' ' ' TRP . 5.9 m-85 -118.77 159.91 22.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.44 1.087 . . . . 1.0 110.98 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 582' ' ' TYR . . . . . 0.523 ' O ' ' HA ' ' A' ' 588' ' ' LEU . 52.9 m-85 -138.79 121.25 16.11 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.43 1.081 . . . . 1.0 110.967 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 583' ' ' LEU . . . . . 0.7 ' HB2' ' CZ3' ' A' ' 643' ' ' TRP . 6.8 tp -92.41 115.13 27.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 1.0 109.348 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 584' ' ' PHE . . . . . 0.66 ' C ' HD13 ' A' ' 560' ' ' ILE . 5.9 m-85 -106.13 174.25 2.71 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 1.0 111.015 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 585' ' ' PRO . . . . . 0.783 ' HD3' ' O ' ' A' ' 558' ' ' ASP . 18.6 Cg_endo -74.97 0.42 8.91 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.498 1.789 . . . . 1.0 111.02 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 586' ' ' ASN . . . . . 0.627 ' HA ' ' CG ' ' A' ' 603' ' ' MET . 5.7 m120 -165.12 -41.56 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.428 1.08 . . . . 1.0 109.314 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 587' ' ' ARG . . . . . 0.552 ' C ' ' HB2' ' A' ' 584' ' ' PHE . 2.9 mtp180 -88.51 -168.78 2.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 1.0 110.335 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 588' ' ' LEU . . . . . 0.523 ' HA ' ' O ' ' A' ' 582' ' ' TYR . 0.1 OUTLIER -178.98 106.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 1.0 109.379 179.931 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 589' ' ' GLU . . . . . 0.405 ' O ' ' N ' ' A' ' 582' ' ' TYR . 2.0 mt-10 -86.71 143.73 27.43 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.552 1.157 . . . . 1.0 110.274 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 590' ' ' TRP . . . . . 0.556 ' CD1' ' O ' ' A' ' 599' ' ' SER . 1.6 p-90 -150.28 84.62 1.38 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 1.0 107.994 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -122.93 -175.69 3.23 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.454 1.096 . . . . 1.0 110.27 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . 153.63 -133.3 3.91 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.477 1.11 . . . . 1.0 110.922 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -78.55 173.49 12.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.43 0.723 . . . . 1.0 110.26 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . 82.72 -130.92 10.0 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.437 1.086 . . . . 1.0 111.043 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 595' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -176.05 162.52 2.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 0.739 . . . . 1.0 110.257 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . -176.6 155.9 1.38 Allowed Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.479 1.112 . . . . 1.0 109.264 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 597' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -35.01 3.36 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.512 1.796 . . . . 1.0 111.087 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 598' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -155.56 146.36 22.25 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.512 1.133 . . . . 1.0 110.222 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 599' ' ' SER . . . . . 0.556 ' O ' ' CD1' ' A' ' 590' ' ' TRP . 13.6 p -155.46 47.7 0.52 Allowed 'General case' 0 C--N 1.327 -0.397 0 O-C-N 124.432 1.083 . . . . 1.0 109.958 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -138.74 101.51 4.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.391 1.057 . . . . 1.0 109.32 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 601' ' ' LEU . . . . . 0.484 ' CD2' ' OE2' ' A' ' 605' ' ' GLU . 3.3 tp -112.38 178.92 4.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.632 1.208 . . . . 1.0 109.31 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 602' ' ' THR . . . . . 0.541 ' HA ' ' HA ' ' A' ' 587' ' ' ARG . 0.0 OUTLIER -109.92 -163.46 0.86 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 1.0 110.365 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 603' ' ' MET . . . . . 0.627 ' CG ' ' HA ' ' A' ' 586' ' ' ASN . 0.0 OUTLIER -129.4 36.38 4.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 1.0 111.055 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 604' ' ' GLU . . . . . 0.4 ' HA ' ' HB2' ' A' ' 654' ' ' ALA . 5.5 pt-20 -124.91 56.91 1.3 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.509 1.13 . . . . 1.0 110.289 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 605' ' ' GLU . . . . . 0.495 ' O ' ' C ' ' A' ' 606' ' ' ILE . 3.4 pt-20 -159.27 -53.71 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 1.0 110.34 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 606' ' ' ILE . . . . . 0.951 ' CG2' ' CD2' ' A' ' 651' ' ' TYR . 0.9 OUTLIER -33.05 136.43 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 1.0 109.296 179.925 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 607' ' ' GLN . . . . . 0.551 ' HG2' ' CB ' ' A' ' 625' ' ' ARG . 0.0 OUTLIER -87.7 -41.45 13.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 1.0 110.312 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 608' ' ' SER . . . . . 0.5 ' OG ' ' O ' ' A' ' 607' ' ' GLN . 6.8 m -171.68 135.72 0.9 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 1.0 110.02 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 609' ' ' VAL . . . . . 0.5 ' CG2' ' CD ' ' A' ' 644' ' ' LYS . 2.7 p -107.64 139.32 29.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 O-C-N 124.528 1.142 . . . . 1.0 109.306 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 610' ' ' GLU . . . . . 0.47 ' HG3' ' CD2' ' A' ' 621' ' ' LEU . 0.2 OUTLIER -158.96 -166.69 1.91 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.371 1.045 . . . . 1.0 110.303 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 611' ' ' GLU . . . . . 0.574 ' HA ' ' HA ' ' A' ' 620' ' ' LEU . 24.9 tt0 -140.44 148.36 41.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 1.0 110.306 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 612' ' ' THR . . . . . 0.571 ' C ' ' HB3' ' A' ' 618' ' ' LYS . 0.0 OUTLIER -114.01 164.26 14.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 1.0 110.368 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 7.4 mp0 -128.97 161.67 29.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 1.0 110.248 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 614' ' ' ILE . . . . . 0.699 ' O ' ' CG2' ' A' ' 614' ' ' ILE . 0.2 OUTLIER -146.63 84.0 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.56 1.163 . . . . 1.0 109.335 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 615' ' ' LYS . . . . . 0.426 ' HB3' ' O ' ' A' ' 614' ' ' ILE . 20.2 ttpt 82.22 -33.89 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 1.0 109.376 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 616' ' ' GLU . . . . . 0.431 ' H ' ' C ' ' A' ' 614' ' ' ILE . 3.1 tt0 -157.09 -46.95 0.07 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.448 1.092 . . . . 1.0 110.299 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 617' ' ' ARG . . . . . 0.518 ' CZ ' ' OD1' ' A' ' 637' ' ' ASP . 1.7 ttm180 -156.39 138.19 14.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.432 1.082 . . . . 1.0 110.328 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 618' ' ' LYS . . . . . 0.571 ' HB3' ' C ' ' A' ' 612' ' ' THR . 9.1 tptt -117.8 -98.47 0.45 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 1.0 109.284 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 619' ' ' CYS . . . . . 0.472 ' O ' ' CG ' ' A' ' 611' ' ' GLU . 16.2 m -157.45 -172.68 4.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 1.0 108.295 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 620' ' ' LEU . . . . . 0.574 ' HA ' ' HA ' ' A' ' 611' ' ' GLU . 0.1 OUTLIER -99.91 140.94 33.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 1.0 109.293 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 621' ' ' LEU . . . . . 0.47 ' CD2' ' HG3' ' A' ' 610' ' ' GLU . 4.9 tp -94.64 158.37 15.55 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.605 1.191 . . . . 1.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 622' ' ' LEU . . . . . 0.636 ' CD2' HG12 ' A' ' 606' ' ' ILE . 0.9 OUTLIER -160.11 86.15 0.75 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 1.0 109.341 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 623' ' ' LYS . . . . . 0.452 ' HD3' ' HB2' ' A' ' 608' ' ' SER . 0.0 OUTLIER -93.2 136.78 33.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.383 1.052 . . . . 1.0 109.351 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 624' ' ' ILE . . . . . 0.698 ' HA ' ' HA ' ' A' ' 606' ' ' ILE . 79.2 mt -101.58 144.75 12.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.148 . . . . 1.0 109.313 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 625' ' ' ARG . . . . . 0.551 ' CB ' ' HG2' ' A' ' 607' ' ' GLN . 16.7 ptt180 -80.51 3.09 22.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 1.0 110.299 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 626' ' ' GLY . . . . . 0.402 ' H ' ' CG2' ' A' ' 624' ' ' ILE . . . -87.92 -22.15 43.47 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.544 1.153 . . . . 1.0 111.002 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 118.33 38.68 0.78 Allowed Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.055 -0.818 . . . . 1.0 111.055 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 628' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -141.97 167.72 21.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 0.779 . . . . 1.0 109.228 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -139.35 150.06 44.9 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.503 1.127 . . . . 1.0 110.262 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 630' ' ' PHE . . . . . 0.51 ' CG ' ' HE2' ' A' ' 567' ' ' LYS . 1.1 m-85 -142.62 158.19 43.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 1.0 110.975 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 631' ' ' ILE . . . . . 0.44 ' O ' ' HG2' ' A' ' 567' ' ' LYS . 0.1 OUTLIER -140.68 108.2 2.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 1.0 109.33 179.925 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 632' ' ' LEU . . . . . 0.577 HD13 ' CD1' ' A' ' 622' ' ' LEU . 0.4 OUTLIER -83.46 152.28 25.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 1.0 109.302 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 633' ' ' GLN . . . . . 0.689 ' NE2' ' HG ' ' A' ' 566' ' ' SER . 1.7 pp0? -153.26 117.98 5.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.402 1.064 . . . . 1.0 110.254 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 634' ' ' CYS . . . . . 0.498 ' SG ' ' HA ' ' A' ' 565' ' ' MET . 5.7 t -124.31 169.75 11.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.384 1.052 . . . . 1.0 108.349 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 635' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -87.17 -18.38 30.5 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.118 . . . . 1.0 109.346 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 636' ' ' SER . . . . . 0.548 ' HB2' ' HB2' ' A' ' 639' ' ' GLU . 2.4 m -94.85 152.26 18.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 1.0 110.0 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 637' ' ' ASP . . . . . 0.711 ' N ' ' CD ' ' A' ' 638' ' ' PRO . 0.4 OUTLIER -90.07 -39.89 0.41 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 1.0 109.304 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 638' ' ' PRO . . . . . 0.711 ' CD ' ' N ' ' A' ' 637' ' ' ASP . 17.8 Cg_endo -75.11 -55.88 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.48 1.779 . . . . 1.0 110.989 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 639' ' ' GLU . . . . . 0.573 ' C ' ' O ' ' A' ' 638' ' ' PRO . 46.9 mm-40 -24.28 -80.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 1.0 110.292 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 640' ' ' LEU . . . . . 0.551 ' CD1' ' CD1' ' A' ' 620' ' ' LEU . 0.2 OUTLIER -49.21 -46.29 45.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.146 . . . . 1.0 109.293 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 641' ' ' VAL . . . . . 0.52 ' CG1' ' N ' ' A' ' 642' ' ' GLN . 0.8 OUTLIER -46.05 -58.66 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 1.0 109.228 -179.927 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 642' ' ' GLN . . . . . 0.52 ' N ' ' CG1' ' A' ' 641' ' ' VAL . 1.2 mm-40 -62.98 -39.51 94.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 1.0 110.297 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 643' ' ' TRP . . . . . 0.7 ' CZ3' ' HB2' ' A' ' 583' ' ' LEU . 18.9 m95 -56.2 -41.79 76.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 1.0 108.047 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 644' ' ' LYS . . . . . 0.578 ' HA ' ' HB2' ' A' ' 647' ' ' LEU . 0.0 OUTLIER -58.16 -54.71 43.86 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.405 1.065 . . . . 1.0 109.258 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 1.4 tmtt? -44.26 -54.42 5.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 1.0 109.291 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 646' ' ' GLU . . . . . 0.521 ' CB ' HD21 ' A' ' 583' ' ' LEU . 0.1 OUTLIER -70.85 -29.0 65.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 1.0 110.341 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 647' ' ' LEU . . . . . 0.578 ' HB2' ' HA ' ' A' ' 644' ' ' LYS . 0.9 OUTLIER -70.78 -62.57 1.34 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.085 . . . . 1.0 109.253 -179.917 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 648' ' ' ARG . . . . . 0.53 ' N ' ' O ' ' A' ' 644' ' ' LYS . 0.4 OUTLIER -40.23 -50.59 2.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 1.0 110.281 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 649' ' ' ASP . . . . . 0.42 ' O ' ' N ' ' A' ' 653' ' ' GLU . 42.5 t0 -62.93 -50.0 72.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.153 . . . . 1.0 109.348 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 650' ' ' ALA . . . . . 0.41 ' O ' ' HE2' ' A' ' 603' ' ' MET . . . -46.04 -49.43 16.26 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.536 1.148 . . . . 1.0 109.242 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 651' ' ' TYR . . . . . 0.951 ' CD2' ' CG2' ' A' ' 606' ' ' ILE . 16.0 m-30 -73.37 -42.7 61.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.615 1.197 . . . . 1.0 110.995 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 652' ' ' ARG . . . . . 0.488 ' O ' ' HB2' ' A' ' 655' ' ' GLN . 70.3 mtp180 -60.07 -63.0 1.45 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.566 1.166 . . . . 1.0 110.314 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 653' ' ' GLU . . . . . 0.545 ' HA ' ' CG ' ' A' ' 656' ' ' GLN . 4.6 mt-10 -43.48 -51.35 6.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 1.0 110.296 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 654' ' ' ALA . . . . . 0.4 ' HB2' ' HA ' ' A' ' 604' ' ' GLU . . . -50.52 -36.13 32.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 1.0 109.227 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 655' ' ' GLN . . . . . 0.488 ' HB2' ' O ' ' A' ' 652' ' ' ARG . 63.5 mt-30 -71.56 -66.63 0.6 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.514 1.134 . . . . 1.0 110.278 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 656' ' ' GLN . . . . . 0.545 ' CG ' ' HA ' ' A' ' 653' ' ' GLU . 3.2 pt20 -51.46 -22.34 3.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 1.0 110.299 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 657' ' ' LEU . . . . . 0.483 ' HB2' ' O ' ' A' ' 653' ' ' GLU . 8.8 mp -87.28 -24.85 24.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 1.0 109.321 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 658' ' ' VAL . . . . . 0.483 ' N ' ' O ' ' A' ' 655' ' ' GLN . 2.6 p -109.18 14.63 8.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 1.0 109.311 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 659' ' ' GLN . . . . . 0.435 ' N ' ' O ' ' A' ' 655' ' ' GLN . 0.0 OUTLIER -86.05 46.61 1.35 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 1.0 110.301 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 660' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -87.6 15.06 7.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.101 . . . . 1.0 110.294 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 661' ' ' VAL . . . . . . . . . . . . . 11.2 p -56.0 122.08 45.11 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.506 1.129 . . . . 1.0 109.28 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 662' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 177.92 7.96 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.553 1.817 . . . . 1.0 110.955 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.54 87.92 0.33 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 1.0 109.325 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 664' ' ' MET . . . . . . . . . . . . . 1.5 tpt -176.54 111.86 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 1.0 111.008 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 22.2 tptm 72.11 -66.35 0.31 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.568 1.168 . . . . 1.0 109.25 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 666' ' ' ASN . . . . . . . . . . . . . 21.0 m-80 70.73 -60.75 0.49 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 1.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 13.4 tptt 68.55 79.05 0.22 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.542 1.151 . . . . 1.0 109.347 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 668' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.16 56.51 4.36 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.503 1.791 . . . . 1.0 110.933 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -133.84 85.9 2.24 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.485 1.115 . . . . 1.0 110.192 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.126 0 CA-C-O 116.952 -1.499 . . . . 1.0 110.017 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 111.052 -0.819 . . . . 1.0 111.052 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 553' ' ' SER . . . . . . . . . . . . . 5.3 t -178.14 144.32 0.32 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 0.78 . . . . 1.0 109.957 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 554' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 68.83 149.47 0.07 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 1.0 109.621 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 555' ' ' MET . . . . . . . . . . . . . 5.6 ptp -88.0 157.78 18.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 1.0 111.094 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . -85.25 -174.73 50.3 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.447 1.092 . . . . 1.0 111.021 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 25.6 tttt -146.18 63.92 1.22 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.572 0.807 . . . . 1.0 109.262 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 558' ' ' ASP . . . . . 0.543 ' O ' ' HG3' ' A' ' 585' ' ' PRO . 0.7 OUTLIER -155.11 106.65 2.63 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.456 1.098 . . . . 1.0 109.323 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 559' ' ' CYS . . . . . . . . . . . . . 24.2 t -69.8 141.79 53.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 1.0 108.34 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 560' ' ' ILE . . . . . 0.657 HD13 ' O ' ' A' ' 584' ' ' PHE . 12.5 mt -87.32 -55.72 6.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.49 1.119 . . . . 1.0 109.364 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 561' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.15 153.36 41.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.587 1.18 . . . . 1.0 111.046 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 562' ' ' HIS . . . . . . . . . . . . . 14.1 p-80 -151.61 169.81 21.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.086 . . . . 1.0 109.636 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 563' ' ' GLY . . . . . 0.474 ' O ' ' CD1' ' A' ' 580' ' ' TYR . . . 138.31 -158.26 24.8 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.491 1.12 . . . . 1.0 111.019 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 564' ' ' TYR . . . . . 0.402 ' HE1' ' CA ' ' A' ' 579' ' ' ARG . 0.2 OUTLIER -92.57 127.07 37.93 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.403 0.708 . . . . 1.0 111.041 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 565' ' ' MET . . . . . 0.671 ' HE2' ' CD2' ' A' ' 581' ' ' PHE . 0.0 OUTLIER -145.67 133.98 21.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.1 . . . . 1.0 111.022 -179.909 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 566' ' ' SER . . . . . 0.463 ' HB2' ' HA ' ' A' ' 578' ' ' ARG . 0.4 OUTLIER -102.39 138.98 38.6 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.54 1.15 . . . . 1.0 109.992 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 567' ' ' LYS . . . . . 0.553 ' HB3' ' CZ ' ' A' ' 581' ' ' PHE . 0.1 OUTLIER -160.32 140.86 11.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.58 1.175 . . . . 1.0 109.283 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 568' ' ' MET . . . . . 0.478 ' N ' ' HG2' ' A' ' 567' ' ' LYS . 0.0 OUTLIER -154.66 175.2 13.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.433 1.083 . . . . 1.0 110.945 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 569' ' ' GLY . . . . . 0.404 ' C ' ' CG ' ' A' ' 570' ' ' ASN . . . -179.47 120.26 0.68 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.499 1.124 . . . . 1.0 110.977 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 570' ' ' ASN . . . . . 0.569 ' CB ' ' CD ' ' A' ' 571' ' ' PRO . 0.0 OUTLIER -166.1 -178.04 0.67 Allowed Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.571 0.806 . . . . 1.0 109.254 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 571' ' ' PRO . . . . . 0.569 ' CD ' ' CB ' ' A' ' 570' ' ' ASN . 18.5 Cg_endo -74.99 12.16 1.28 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.424 1.749 . . . . 1.0 111.021 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 572' ' ' PHE . . . . . 0.526 ' CE2' ' HG2' ' A' ' 571' ' ' PRO . 15.4 m-85 -139.73 87.51 2.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 1.0 110.978 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.3 86.95 7.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 1.0 109.338 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 574' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -158.33 -29.15 0.08 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.447 1.092 . . . . 1.0 110.354 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 575' ' ' GLN . . . . . 0.467 ' O ' ' CD1' ' A' ' 576' ' ' TRP . 11.6 pt20 -94.54 152.95 18.14 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.611 1.194 . . . . 1.0 110.271 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 576' ' ' TRP . . . . . 0.467 ' CD1' ' O ' ' A' ' 575' ' ' GLN . 4.6 m0 -139.95 136.26 33.64 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.039 -1.097 . . . . 1.0 108.039 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 577' ' ' GLN . . . . . 0.404 ' O ' ' HB2' ' A' ' 566' ' ' SER . 1.1 tt0 -124.6 127.6 47.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 1.0 110.291 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 578' ' ' ARG . . . . . 0.463 ' HA ' ' HB2' ' A' ' 566' ' ' SER . 1.5 mpt_? -90.89 118.16 30.07 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.451 1.094 . . . . 1.0 110.231 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 579' ' ' ARG . . . . . 0.661 ' O ' ' O ' ' A' ' 565' ' ' MET . 3.0 mmm-85 -135.53 166.17 23.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 1.0 110.26 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 580' ' ' TYR . . . . . 0.474 ' CD1' ' O ' ' A' ' 563' ' ' GLY . 0.4 OUTLIER -87.58 122.64 31.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 1.0 111.031 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 581' ' ' PHE . . . . . 0.671 ' CD2' ' HE2' ' A' ' 565' ' ' MET . 8.8 m-85 -116.0 157.56 24.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 1.0 110.951 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 582' ' ' TYR . . . . . 0.726 ' O ' ' CD1' ' A' ' 582' ' ' TYR . 0.2 OUTLIER -142.95 124.16 14.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 1.0 110.998 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 583' ' ' LEU . . . . . 0.807 ' HB2' ' CZ3' ' A' ' 643' ' ' TRP . 6.5 tp -97.48 127.72 43.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.161 . . . . 1.0 109.282 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 584' ' ' PHE . . . . . 0.657 ' O ' HD13 ' A' ' 560' ' ' ILE . 0.3 OUTLIER -115.09 176.95 1.3 Allowed Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.46 1.1 . . . . 1.0 110.954 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 585' ' ' PRO . . . . . 0.638 ' HA ' HD12 ' A' ' 560' ' ' ILE . 18.1 Cg_endo -75.04 0.77 8.52 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.506 1.792 . . . . 1.0 111.011 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 586' ' ' ASN . . . . . 0.696 ' HA ' ' CG ' ' A' ' 603' ' ' MET . 1.1 m120 -166.67 -41.81 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.517 1.136 . . . . 1.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 587' ' ' ARG . . . . . 0.482 ' HA ' ' HA ' ' A' ' 602' ' ' THR . 6.3 mtp180 -87.32 179.52 6.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 1.0 110.3 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 588' ' ' LEU . . . . . 0.474 ' HA ' ' CE1' ' A' ' 582' ' ' TYR . 0.1 OUTLIER 168.49 125.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.643 1.214 . . . . 1.0 109.266 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 589' ' ' GLU . . . . . 0.51 ' HB2' ' O ' ' A' ' 599' ' ' SER . 0.6 OUTLIER -145.41 174.92 10.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 1.0 110.233 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 590' ' ' TRP . . . . . 0.606 ' CB ' ' CE1' ' A' ' 581' ' ' PHE . 11.8 p-90 -138.7 143.75 39.26 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.061 -1.089 . . . . 1.0 108.061 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 4.5 mtt180 -144.54 169.44 17.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.429 1.081 . . . . 1.0 110.315 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . 161.34 -163.03 34.24 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.57 1.169 . . . . 1.0 110.963 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -73.61 173.97 8.98 Favored 'General case' 0 C--N 1.327 -0.371 0 O-C-N 124.381 0.695 . . . . 1.0 110.25 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . 97.53 -124.07 8.03 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.481 1.113 . . . . 1.0 111.043 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 595' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -171.53 153.83 3.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.639 0.847 . . . . 1.0 110.24 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . -177.6 158.24 1.26 Allowed Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.472 1.107 . . . . 1.0 109.358 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 597' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -89.09 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.517 1.798 . . . . 1.0 111.005 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 598' ' ' GLN . . . . . . . . . . . . . 8.1 mp0 -138.67 129.56 26.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 1.0 110.279 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 599' ' ' SER . . . . . 0.51 ' O ' ' HB2' ' A' ' 589' ' ' GLU . 32.0 p -140.22 65.76 1.41 Allowed 'General case' 0 C--N 1.327 -0.384 0 O-C-N 124.469 1.106 . . . . 1.0 109.967 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 600' ' ' LEU . . . . . 0.496 ' HA ' ' HB2' ' A' ' 589' ' ' GLU . 0.1 OUTLIER -136.69 90.82 2.58 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.387 1.054 . . . . 1.0 109.292 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -107.43 -174.83 2.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 1.0 109.297 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 602' ' ' THR . . . . . 0.482 ' HA ' ' HA ' ' A' ' 587' ' ' ARG . 0.0 OUTLIER -105.72 -159.35 0.7 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 1.0 110.375 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 603' ' ' MET . . . . . 0.696 ' CG ' ' HA ' ' A' ' 586' ' ' ASN . 0.0 OUTLIER -128.38 33.99 4.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.546 1.154 . . . . 1.0 111.005 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 604' ' ' GLU . . . . . 0.516 ' HA ' ' HB2' ' A' ' 654' ' ' ALA . 9.9 pt-20 -125.49 61.45 1.22 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 1.0 110.313 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 605' ' ' GLU . . . . . 0.458 ' O ' ' C ' ' A' ' 606' ' ' ILE . 2.7 pt-20 -159.09 -49.45 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 1.0 110.284 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 606' ' ' ILE . . . . . 0.948 ' CG2' ' CD2' ' A' ' 651' ' ' TYR . 1.2 mp -36.25 139.77 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.127 . . . . 1.0 109.258 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 607' ' ' GLN . . . . . 0.563 ' CG ' ' CB ' ' A' ' 625' ' ' ARG . 0.0 OUTLIER -95.96 -35.44 11.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 1.0 110.301 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 1.3 m -172.59 135.38 0.68 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 1.0 109.995 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 609' ' ' VAL . . . . . 0.557 ' CG2' ' CD ' ' A' ' 644' ' ' LYS . 3.7 p -107.73 140.6 25.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.15 . . . . 1.0 109.304 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 610' ' ' GLU . . . . . 0.49 ' HG3' ' CD2' ' A' ' 621' ' ' LEU . 0.1 OUTLIER -156.99 -166.26 2.04 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.408 1.067 . . . . 1.0 110.255 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 611' ' ' GLU . . . . . 0.534 ' HA ' ' HA ' ' A' ' 620' ' ' LEU . 19.2 tt0 -145.39 143.18 29.95 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.34 1.025 . . . . 1.0 110.363 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 612' ' ' THR . . . . . 0.538 ' C ' ' HB3' ' A' ' 618' ' ' LYS . 0.0 OUTLIER -103.83 165.86 10.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.44 1.087 . . . . 1.0 110.412 179.905 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -132.03 161.29 33.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.374 1.046 . . . . 1.0 110.294 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 614' ' ' ILE . . . . . 0.672 ' O ' ' CG2' ' A' ' 614' ' ' ILE . 0.2 OUTLIER -145.98 84.94 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.123 . . . . 1.0 109.291 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 615' ' ' LYS . . . . . 0.43 ' HB2' ' O ' ' A' ' 614' ' ' ILE . 37.6 mmtt 82.07 -34.19 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 1.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 616' ' ' GLU . . . . . 0.422 ' H ' ' C ' ' A' ' 614' ' ' ILE . 3.8 tt0 -155.66 -49.42 0.08 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.556 1.16 . . . . 1.0 110.284 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 10.0 ttt85 -155.35 139.42 16.45 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 1.0 110.295 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 618' ' ' LYS . . . . . 0.538 ' HG2' ' CD1' ' A' ' 614' ' ' ILE . 10.6 tptt -118.46 -96.71 0.47 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.567 1.167 . . . . 1.0 109.279 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 619' ' ' CYS . . . . . 0.51 ' O ' ' CG ' ' A' ' 611' ' ' GLU . 14.7 m -157.86 -176.91 6.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 1.0 108.208 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 620' ' ' LEU . . . . . 0.599 ' CD1' ' CD1' ' A' ' 640' ' ' LEU . 0.2 OUTLIER -95.93 150.5 20.37 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.515 1.135 . . . . 1.0 109.308 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 621' ' ' LEU . . . . . 0.49 ' CD2' ' HG3' ' A' ' 610' ' ' GLU . 0.4 OUTLIER -110.73 160.17 16.95 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.569 1.168 . . . . 1.0 109.265 -179.941 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 622' ' ' LEU . . . . . 0.551 ' CD2' ' HE2' ' A' ' 651' ' ' TYR . 9.0 mt -154.71 85.44 1.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 1.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 623' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.69 137.46 32.81 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 1.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 624' ' ' ILE . . . . . 0.722 ' HA ' ' HA ' ' A' ' 606' ' ' ILE . 67.1 mt -105.92 145.77 13.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 1.0 109.299 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 625' ' ' ARG . . . . . 0.563 ' CB ' ' CG ' ' A' ' 607' ' ' GLN . 13.6 ptt180 -77.46 2.23 16.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 1.0 110.289 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 626' ' ' GLY . . . . . 0.406 ' H ' ' CG2' ' A' ' 624' ' ' ILE . . . -90.15 -19.49 46.15 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.469 1.105 . . . . 1.0 110.981 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 112.68 41.08 1.05 Allowed Glycine 0 CA--C 1.53 1.002 0 N-CA-C 110.991 -0.844 . . . . 1.0 110.991 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 628' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.89 169.96 16.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 0.782 . . . . 1.0 109.34 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 9.2 mp0 -141.46 147.48 37.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.145 . . . . 1.0 110.349 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 630' ' ' PHE . . . . . 0.505 ' CD1' ' HE2' ' A' ' 567' ' ' LYS . 0.6 OUTLIER -133.35 150.0 51.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.529 1.143 . . . . 1.0 110.868 -179.917 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 631' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -128.37 121.8 56.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 1.0 109.343 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 632' ' ' LEU . . . . . 0.515 ' CD2' HD13 ' A' ' 622' ' ' LEU . 0.9 OUTLIER -105.75 154.99 19.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 1.0 109.329 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 633' ' ' GLN . . . . . 0.458 ' HB2' ' SG ' ' A' ' 619' ' ' CYS . 64.1 tt0 -155.48 134.83 12.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.58 1.175 . . . . 1.0 110.29 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 634' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -143.06 155.18 44.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.107 . . . . 1.0 108.307 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 635' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -78.81 -19.73 51.41 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.532 1.145 . . . . 1.0 109.246 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 636' ' ' SER . . . . . 0.515 ' HB2' ' CG ' ' A' ' 639' ' ' GLU . 0.8 OUTLIER -96.4 146.29 24.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.589 1.18 . . . . 1.0 110.021 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 637' ' ' ASP . . . . . 0.723 ' N ' ' CD ' ' A' ' 638' ' ' PRO . 0.5 OUTLIER -79.14 -38.25 1.31 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.088 . . . . 1.0 109.31 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 638' ' ' PRO . . . . . 0.723 ' CD ' ' N ' ' A' ' 637' ' ' ASP . 18.3 Cg_endo -74.97 -61.54 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.403 1.738 . . . . 1.0 110.983 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 639' ' ' GLU . . . . . 0.599 ' C ' ' O ' ' A' ' 638' ' ' PRO . 72.6 mm-40 -21.38 -80.07 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.507 1.129 . . . . 1.0 110.308 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 640' ' ' LEU . . . . . 0.599 ' CD1' ' CD1' ' A' ' 620' ' ' LEU . 0.2 OUTLIER -50.2 -50.71 48.62 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 1.0 109.253 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 641' ' ' VAL . . . . . 0.516 ' N ' ' O ' ' A' ' 638' ' ' PRO . 1.1 t -43.24 -59.88 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 1.0 109.243 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 642' ' ' GLN . . . . . 0.418 ' N ' ' CG1' ' A' ' 641' ' ' VAL . 0.0 OUTLIER -58.91 -40.65 85.15 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.541 1.151 . . . . 1.0 110.292 -179.923 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 643' ' ' TRP . . . . . 0.807 ' CZ3' ' HB2' ' A' ' 583' ' ' LEU . 15.3 m95 -51.76 -50.3 60.95 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 107.979 -1.119 . . . . 1.0 107.979 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 644' ' ' LYS . . . . . 0.559 ' O ' ' N ' ' A' ' 648' ' ' ARG . 0.3 OUTLIER -52.63 -60.14 3.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 1.0 109.256 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 645' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 644' ' ' LYS . 0.0 OUTLIER -38.61 -49.25 1.52 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.608 1.193 . . . . 1.0 109.236 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 646' ' ' GLU . . . . . 0.603 ' CB ' HD21 ' A' ' 583' ' ' LEU . 1.8 mt-10 -73.38 -37.39 66.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 1.0 110.333 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 647' ' ' LEU . . . . . 0.549 ' CD2' ' OH ' ' A' ' 651' ' ' TYR . 0.4 OUTLIER -67.45 -62.77 1.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.103 . . . . 1.0 109.198 -179.874 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 648' ' ' ARG . . . . . 0.559 ' N ' ' O ' ' A' ' 644' ' ' LYS . 0.1 OUTLIER -39.12 -50.64 1.88 Allowed 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.478 1.111 . . . . 1.0 110.288 -179.932 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 649' ' ' ASP . . . . . 0.527 ' HA ' ' CD ' ' A' ' 652' ' ' ARG . 13.6 t70 -65.95 -55.15 18.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 1.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 650' ' ' ALA . . . . . 0.444 ' HB2' ' CB ' ' A' ' 603' ' ' MET . . . -37.67 -40.16 0.39 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.649 1.218 . . . . 1.0 109.453 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 651' ' ' TYR . . . . . 0.948 ' CD2' ' CG2' ' A' ' 606' ' ' ILE . 14.6 m-30 -80.24 -40.71 26.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 1.0 110.986 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 652' ' ' ARG . . . . . 0.527 ' CD ' ' HA ' ' A' ' 649' ' ' ASP . 0.1 OUTLIER -69.63 -35.16 74.98 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.559 1.162 . . . . 1.0 110.259 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 653' ' ' GLU . . . . . 0.512 ' O ' ' CG ' ' A' ' 656' ' ' GLN . 0.9 OUTLIER -70.99 -35.7 72.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 1.0 110.322 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 654' ' ' ALA . . . . . 0.516 ' HB2' ' HA ' ' A' ' 604' ' ' GLU . . . -78.73 -53.54 7.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 1.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 655' ' ' GLN . . . . . 0.547 ' HG3' ' N ' ' A' ' 656' ' ' GLN . 2.8 pt20 -46.13 -48.34 17.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 1.0 110.352 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 656' ' ' GLN . . . . . 0.547 ' N ' ' HG3' ' A' ' 655' ' ' GLN . 1.5 pt20 -53.98 -18.97 4.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 1.0 110.292 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 657' ' ' LEU . . . . . 0.505 ' HG ' ' O ' ' A' ' 653' ' ' GLU . 5.3 mt -86.43 -33.68 20.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 1.0 109.286 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 658' ' ' VAL . . . . . 0.459 HG12 HH22 ' A' ' 625' ' ' ARG . 0.5 OUTLIER -104.0 16.88 5.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.59 1.181 . . . . 1.0 109.176 -179.937 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 659' ' ' GLN . . . . . 0.421 ' N ' ' O ' ' A' ' 655' ' ' GLN . 1.4 mt-30 -82.17 50.53 1.6 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.565 1.166 . . . . 1.0 110.287 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 660' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.48 15.15 9.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 1.0 110.265 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 661' ' ' VAL . . . . . . . . . . . . . 4.0 m -43.29 154.16 0.33 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.162 . . . . 1.0 109.252 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 662' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 173.13 15.04 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.432 1.754 . . . . 1.0 111.038 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 663' ' ' LYS . . . . . 0.494 ' O ' ' CG ' ' A' ' 664' ' ' MET . 0.0 OUTLIER -74.94 -39.62 61.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 1.0 109.316 -179.931 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 664' ' ' MET . . . . . 0.494 ' CG ' ' O ' ' A' ' 663' ' ' LYS . 1.6 mtm -176.74 -175.35 0.62 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 1.0 110.978 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 75.17 -69.78 0.17 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 1.0 109.317 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 666' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -77.28 66.24 3.01 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.51 1.131 . . . . 1.0 109.22 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 11.1 tptt -131.5 131.81 23.12 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 1.0 109.294 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 668' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -38.0 1.79 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.54 1.811 . . . . 1.0 111.034 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 6.8 ttt180 -174.25 168.18 4.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 1.0 110.316 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 87.8 p . . . . . 0 C--O 1.249 1.071 0 CA-C-O 117.039 -1.457 . . . . 1.0 109.987 -179.952 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.065 0 N-CA-C 111.016 -0.834 . . . . 1.0 111.016 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 553' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -176.95 169.25 2.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 0.765 . . . . 1.0 109.955 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 554' ' ' HIS . . . . . . . . . . . . . 36.4 p-80 -172.87 74.19 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.434 1.084 . . . . 1.0 109.588 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 555' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -159.43 146.23 16.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 1.0 110.969 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . -133.17 -176.81 14.57 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.521 1.138 . . . . 1.0 110.995 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 30.1 tttt -145.07 63.84 1.28 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.436 0.727 . . . . 1.0 109.355 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 558' ' ' ASP . . . . . 0.693 ' O ' ' CZ ' ' A' ' 584' ' ' PHE . 7.2 m-20 -113.08 -99.04 0.43 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 1.0 109.267 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 559' ' ' CYS . . . . . . . . . . . . . 8.3 t -155.04 146.88 23.42 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.115 . . . . 1.0 108.257 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 560' ' ' ILE . . . . . 0.736 ' HB ' ' CD2' ' A' ' 583' ' ' LEU . 10.6 mt -96.54 -52.75 8.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 1.0 109.258 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 561' ' ' MET . . . . . 0.485 ' CE ' ' OE2' ' A' ' 646' ' ' GLU . 0.4 OUTLIER -150.3 154.45 37.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.394 1.059 . . . . 1.0 111.018 -179.909 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 562' ' ' HIS . . . . . . . . . . . . . 4.3 p80 -147.51 155.84 42.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 1.0 109.637 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 563' ' ' GLY . . . . . 0.47 ' N ' ' HZ2' ' A' ' 643' ' ' TRP . . . 168.03 -168.64 40.91 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.456 1.097 . . . . 1.0 111.012 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 564' ' ' TYR . . . . . 0.465 ' O ' ' SG ' ' A' ' 634' ' ' CYS . 0.3 OUTLIER -94.72 124.17 38.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 0.776 . . . . 1.0 111.11 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 565' ' ' MET . . . . . 0.537 ' O ' ' O ' ' A' ' 579' ' ' ARG . 5.4 mtm -143.92 151.44 39.8 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.516 1.135 . . . . 1.0 111.027 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.72 148.43 44.63 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.464 1.103 . . . . 1.0 109.929 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 567' ' ' LYS . . . . . 0.538 ' HA ' ' HA ' ' A' ' 632' ' ' LEU . 35.5 ttpt -103.61 156.1 18.04 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.561 1.163 . . . . 1.0 109.306 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 568' ' ' MET . . . . . 0.601 ' N ' ' O ' ' A' ' 631' ' ' ILE . 15.2 mtt -140.62 175.62 9.46 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.375 1.047 . . . . 1.0 111.11 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 569' ' ' GLY . . . . . . . . . . . . . . . -143.97 -69.62 0.02 OUTLIER Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.531 1.144 . . . . 1.0 110.981 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 570' ' ' ASN . . . . . 0.598 ' CB ' ' CD ' ' A' ' 571' ' ' PRO . 0.0 OUTLIER -116.03 -176.82 0.4 Allowed Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.543 0.79 . . . . 1.0 109.354 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 571' ' ' PRO . . . . . 0.598 ' CD ' ' CB ' ' A' ' 570' ' ' ASN . 18.4 Cg_endo -75.0 9.02 2.16 Favored 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.461 1.769 . . . . 1.0 110.964 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 572' ' ' PHE . . . . . 0.482 ' CZ ' ' HG2' ' A' ' 571' ' ' PRO . 2.5 m-85 -129.25 84.22 2.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.604 1.19 . . . . 1.0 111.038 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 573' ' ' LEU . . . . . 0.455 ' CD2' ' HB2' ' A' ' 576' ' ' TRP . 0.2 OUTLIER -86.7 95.09 9.68 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 1.0 109.324 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 574' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -117.55 -8.45 10.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 1.0 110.384 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 575' ' ' GLN . . . . . 0.535 ' O ' ' CD2' ' A' ' 576' ' ' TRP . 15.6 pt20 -130.72 43.05 3.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.164 . . . . 1.0 110.334 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 576' ' ' TRP . . . . . 0.535 ' CD2' ' O ' ' A' ' 575' ' ' GLN . 65.5 m95 -155.34 156.82 36.13 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 107.951 -1.129 . . . . 1.0 107.951 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -157.56 -170.33 3.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 1.0 110.33 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 578' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -82.32 109.18 16.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.423 1.077 . . . . 1.0 110.262 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 579' ' ' ARG . . . . . 0.537 ' O ' ' O ' ' A' ' 565' ' ' MET . 13.6 mtp85 -118.39 163.63 16.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 1.0 110.32 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 580' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -87.65 120.73 29.26 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.14 . . . . 1.0 111.036 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 581' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -108.04 161.23 15.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.137 . . . . 1.0 110.974 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 582' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -147.53 110.23 4.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.411 1.069 . . . . 1.0 110.985 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 583' ' ' LEU . . . . . 0.736 ' CD2' ' HB ' ' A' ' 560' ' ' ILE . 0.5 OUTLIER -89.32 113.74 25.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 1.0 109.304 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 584' ' ' PHE . . . . . 0.693 ' CZ ' ' O ' ' A' ' 558' ' ' ASP . 0.2 OUTLIER -97.35 179.96 1.0 Allowed Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.524 1.14 . . . . 1.0 111.109 179.916 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 585' ' ' PRO . . . . . 0.593 ' HD2' ' CD2' ' A' ' 584' ' ' PHE . 18.3 Cg_endo -74.99 9.08 2.14 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.516 1.798 . . . . 1.0 111.025 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 586' ' ' ASN . . . . . 0.564 ' O ' ' N ' ' A' ' 603' ' ' MET . 20.8 m-20 179.95 -41.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 1.0 109.366 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 587' ' ' ARG . . . . . 0.471 ' O ' ' HB2' ' A' ' 584' ' ' PHE . 0.0 OUTLIER -89.98 -172.93 3.69 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.506 1.129 . . . . 1.0 110.273 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 588' ' ' LEU . . . . . 0.554 ' CD1' ' C ' ' A' ' 588' ' ' LEU . 0.0 OUTLIER -173.88 129.38 0.4 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 1.0 109.252 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 589' ' ' GLU . . . . . 0.415 ' N ' ' CD1' ' A' ' 588' ' ' LEU . 4.4 mt-10 -112.36 144.37 41.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.445 1.09 . . . . 1.0 110.321 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 590' ' ' TRP . . . . . 0.507 ' CD1' ' O ' ' A' ' 599' ' ' SER . 0.2 OUTLIER -140.4 90.95 2.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.558 1.161 . . . . 1.0 107.972 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.53 -175.27 3.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.123 . . . . 1.0 110.303 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . 137.3 -140.92 11.75 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.472 1.107 . . . . 1.0 111.027 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 593' ' ' GLU . . . . . 0.445 ' O ' ' NH1' ' A' ' 579' ' ' ARG . 1.7 pt-20 -95.51 134.86 37.88 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.465 0.744 . . . . 1.0 110.29 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . 174.59 -147.87 9.41 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.577 1.173 . . . . 1.0 110.959 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 595' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -147.52 18.41 1.18 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 0.783 . . . . 1.0 110.288 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . -90.66 154.81 46.01 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.572 1.17 . . . . 1.0 109.302 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 597' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -90.13 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.561 1.822 . . . . 1.0 111.012 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 598' ' ' GLN . . . . . . . . . . . . . 9.3 mp0 -96.26 155.75 16.63 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.41 1.069 . . . . 1.0 110.258 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 599' ' ' SER . . . . . 0.507 ' O ' ' CD1' ' A' ' 590' ' ' TRP . 22.6 p -153.42 53.28 0.73 Allowed 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.478 1.111 . . . . 1.0 109.915 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 600' ' ' LEU . . . . . 0.47 ' O ' ' CD2' ' A' ' 601' ' ' LEU . 0.5 OUTLIER -125.02 135.7 53.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 1.0 109.328 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 601' ' ' LEU . . . . . 0.47 ' CD2' ' O ' ' A' ' 600' ' ' LEU . 0.3 OUTLIER -156.02 -179.76 8.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.433 1.083 . . . . 1.0 109.231 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 602' ' ' THR . . . . . 0.441 ' HA ' ' HA ' ' A' ' 587' ' ' ARG . 0.2 OUTLIER -113.8 -177.39 3.12 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.552 1.158 . . . . 1.0 110.424 179.93 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 603' ' ' MET . . . . . 0.608 ' O ' ' HA ' ' A' ' 651' ' ' TYR . 0.0 OUTLIER -128.36 42.5 3.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 1.0 111.035 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 604' ' ' GLU . . . . . 0.585 ' HB3' ' HB3' ' A' ' 654' ' ' ALA . 12.5 pt-20 -124.3 57.26 1.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.421 1.076 . . . . 1.0 110.273 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 605' ' ' GLU . . . . . 0.475 ' O ' ' C ' ' A' ' 606' ' ' ILE . 1.5 pt-20 -156.76 -42.08 0.07 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.603 1.189 . . . . 1.0 110.232 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 606' ' ' ILE . . . . . 0.788 ' CG2' ' CD2' ' A' ' 651' ' ' TYR . 1.1 mp -34.56 135.89 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 1.0 109.281 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 607' ' ' GLN . . . . . 0.441 ' HG2' ' CB ' ' A' ' 625' ' ' ARG . 1.0 OUTLIER -90.89 -37.46 13.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 1.0 110.304 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -174.42 134.98 0.42 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.574 1.171 . . . . 1.0 110.001 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 609' ' ' VAL . . . . . 0.646 ' CG2' ' CD ' ' A' ' 644' ' ' LYS . 5.8 p -108.08 142.87 19.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.57 1.169 . . . . 1.0 109.343 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 610' ' ' GLU . . . . . 0.447 ' CG ' HD22 ' A' ' 621' ' ' LEU . 0.1 OUTLIER -162.71 -171.23 2.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 1.0 110.322 179.93 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 611' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -115.24 177.65 4.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.452 1.095 . . . . 1.0 110.305 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 612' ' ' THR . . . . . 0.673 ' O ' ' CB ' ' A' ' 618' ' ' LYS . 3.8 t -156.94 153.12 27.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.583 1.177 . . . . 1.0 110.455 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -116.25 174.24 6.16 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.415 1.072 . . . . 1.0 110.276 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 614' ' ' ILE . . . . . 0.644 ' O ' ' CG2' ' A' ' 614' ' ' ILE . 0.0 OUTLIER -152.13 41.13 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.113 . . . . 1.0 109.325 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 615' ' ' LYS . . . . . 0.432 ' HB2' ' O ' ' A' ' 614' ' ' ILE . 27.3 mmtt 82.75 -21.02 0.31 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.434 1.084 . . . . 1.0 109.284 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 616' ' ' GLU . . . . . 0.443 ' O ' ' CD ' ' A' ' 618' ' ' LYS . 1.1 tt0 -160.07 -54.52 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 1.0 110.304 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 617' ' ' ARG . . . . . 0.511 ' C ' ' CD ' ' A' ' 618' ' ' LYS . 1.4 ttt180 -85.35 152.0 23.59 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.399 1.062 . . . . 1.0 110.229 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 618' ' ' LYS . . . . . 0.673 ' CB ' ' O ' ' A' ' 612' ' ' THR . 0.0 OUTLIER -136.27 165.35 25.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.582 1.176 . . . . 1.0 109.293 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 619' ' ' CYS . . . . . 0.447 ' SG ' ' C ' ' A' ' 618' ' ' LYS . 6.6 m -151.58 151.96 32.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 1.0 108.263 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 620' ' ' LEU . . . . . 0.525 ' CD2' HD13 ' A' ' 640' ' ' LEU . 0.3 OUTLIER -85.34 122.54 29.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 1.0 109.288 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 621' ' ' LEU . . . . . 0.447 HD22 ' CG ' ' A' ' 610' ' ' GLU . 0.7 OUTLIER -84.32 158.2 21.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 1.0 109.288 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 622' ' ' LEU . . . . . 0.655 HD22 ' CE2' ' A' ' 651' ' ' TYR . 0.1 OUTLIER -155.5 77.65 0.99 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 1.0 109.342 -179.936 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 623' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.25 137.37 38.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 1.0 109.204 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 624' ' ' ILE . . . . . 0.547 ' HA ' ' HA ' ' A' ' 606' ' ' ILE . 5.0 mt -102.45 149.48 6.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.567 1.167 . . . . 1.0 109.271 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 625' ' ' ARG . . . . . 0.452 ' N ' HG21 ' A' ' 624' ' ' ILE . 13.9 ptt180 -77.96 3.5 14.49 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.46 1.1 . . . . 1.0 110.315 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 626' ' ' GLY . . . . . . . . . . . . . . . -96.56 -19.98 25.95 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.547 1.154 . . . . 1.0 110.987 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 112.56 33.5 2.07 Favored Glycine 0 CA--C 1.529 0.959 0 N-CA-C 111.053 -0.819 . . . . 1.0 111.053 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 628' ' ' LYS . . . . . . . . . . . . . 2.7 mttt -128.69 133.22 48.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 0.762 . . . . 1.0 109.313 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -110.85 136.77 49.4 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.46 1.1 . . . . 1.0 110.279 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 630' ' ' PHE . . . . . 0.49 ' O ' ' N ' ' A' ' 622' ' ' LEU . 4.8 m-85 -131.67 141.62 49.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.586 1.179 . . . . 1.0 111.019 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 631' ' ' ILE . . . . . 0.601 ' O ' ' N ' ' A' ' 568' ' ' MET . 0.6 OUTLIER -135.39 103.72 4.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 1.0 109.267 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 632' ' ' LEU . . . . . 0.576 ' N ' ' CD2' ' A' ' 632' ' ' LEU . 0.1 OUTLIER -106.76 153.6 22.21 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.533 1.146 . . . . 1.0 109.264 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 633' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.73 152.48 41.32 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.574 1.171 . . . . 1.0 110.29 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 634' ' ' CYS . . . . . 0.514 ' SG ' ' HA ' ' A' ' 565' ' ' MET . 2.0 t -134.65 178.56 6.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 1.0 108.253 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 635' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.03 -21.39 23.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 1.0 109.3 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 636' ' ' SER . . . . . 0.614 ' CB ' ' CG ' ' A' ' 639' ' ' GLU . 0.8 OUTLIER -86.98 145.32 26.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.559 1.162 . . . . 1.0 109.981 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 637' ' ' ASP . . . . . 0.603 ' N ' ' CD ' ' A' ' 638' ' ' PRO . 0.2 OUTLIER -85.17 -46.81 0.63 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 1.0 109.29 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 638' ' ' PRO . . . . . 0.603 ' CD ' ' N ' ' A' ' 637' ' ' ASP . 18.3 Cg_endo -74.98 -48.94 0.16 Allowed 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.43 1.753 . . . . 1.0 111.051 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 639' ' ' GLU . . . . . 0.614 ' CG ' ' CB ' ' A' ' 636' ' ' SER . 43.0 mm-40 -27.71 -81.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.421 1.076 . . . . 1.0 110.245 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 640' ' ' LEU . . . . . 0.526 ' HA ' ' HB2' ' A' ' 643' ' ' TRP . 0.2 OUTLIER -47.34 -45.5 24.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.15 . . . . 1.0 109.328 179.951 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 641' ' ' VAL . . . . . 0.489 ' CG1' ' N ' ' A' ' 642' ' ' GLN . 0.7 OUTLIER -47.59 -56.21 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.586 1.179 . . . . 1.0 109.293 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 642' ' ' GLN . . . . . 0.489 ' N ' ' CG1' ' A' ' 641' ' ' VAL . 1.1 mt-30 -65.74 -38.46 89.19 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.585 1.178 . . . . 1.0 110.315 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 643' ' ' TRP . . . . . 0.539 ' CZ3' ' CB ' ' A' ' 583' ' ' LEU . 14.7 m95 -56.74 -44.43 81.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 1.0 108.006 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 644' ' ' LYS . . . . . 0.646 ' CD ' ' CG2' ' A' ' 609' ' ' VAL . 4.7 ttpp -54.64 -57.42 11.52 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 1.0 109.338 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 645' ' ' LYS . . . . . 0.407 ' HB3' ' OE1' ' A' ' 646' ' ' GLU . 5.9 tmtt? -41.11 -53.02 3.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.441 1.088 . . . . 1.0 109.326 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 646' ' ' GLU . . . . . 0.681 ' HB2' HD12 ' A' ' 583' ' ' LEU . 0.7 OUTLIER -69.34 -34.83 75.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.417 1.073 . . . . 1.0 110.377 179.928 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 647' ' ' LEU . . . . . 0.555 ' HB2' ' HA ' ' A' ' 644' ' ' LYS . 33.7 mt -65.32 -63.78 1.02 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 1.0 109.303 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 648' ' ' ARG . . . . . 0.612 ' HG3' ' CG1' ' A' ' 609' ' ' VAL . 0.0 OUTLIER -38.18 -50.98 1.44 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.461 1.1 . . . . 1.0 110.347 -179.933 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 649' ' ' ASP . . . . . 0.494 ' O ' ' N ' ' A' ' 652' ' ' ARG . 13.8 t70 -68.0 -54.8 15.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 1.0 109.336 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 650' ' ' ALA . . . . . 0.425 ' O ' ' HB1' ' A' ' 654' ' ' ALA . . . -39.44 -39.29 0.66 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 1.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 651' ' ' TYR . . . . . 0.788 ' CD2' ' CG2' ' A' ' 606' ' ' ILE . 4.6 m-30 -79.33 -38.67 34.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.426 1.079 . . . . 1.0 111.083 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 652' ' ' ARG . . . . . 0.543 ' HA ' ' HG2' ' A' ' 655' ' ' GLN . 0.8 OUTLIER -72.35 -40.83 67.08 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.537 1.148 . . . . 1.0 110.392 179.877 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 653' ' ' GLU . . . . . 0.48 ' N ' ' CG ' ' A' ' 652' ' ' ARG . 0.1 OUTLIER -66.66 -35.01 79.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 1.0 110.323 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 654' ' ' ALA . . . . . 0.585 ' HB3' ' HB3' ' A' ' 604' ' ' GLU . . . -78.25 -55.36 5.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.16 . . . . 1.0 109.422 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 655' ' ' GLN . . . . . 0.543 ' HG2' ' HA ' ' A' ' 652' ' ' ARG . 4.7 pt20 -48.68 -42.83 36.02 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.566 1.167 . . . . 1.0 110.211 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 656' ' ' GLN . . . . . 0.436 ' N ' ' HG3' ' A' ' 655' ' ' GLN . 0.0 OUTLIER -58.85 -13.66 6.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 1.0 110.418 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 657' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' A' ' 654' ' ' ALA . 13.2 mt -85.41 -28.1 25.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 1.0 109.3 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 658' ' ' VAL . . . . . 0.412 HG12 HH22 ' A' ' 625' ' ' ARG . 0.7 OUTLIER -117.2 13.72 7.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.132 . . . . 1.0 109.314 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 659' ' ' GLN . . . . . 0.453 ' N ' ' O ' ' A' ' 655' ' ' GLN . 0.4 OUTLIER -59.04 -59.28 5.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 1.0 110.291 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 660' ' ' ARG . . . . . . . . . . . . . 9.1 mtp180 -68.09 65.77 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.601 1.188 . . . . 1.0 110.291 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 661' ' ' VAL . . . . . 0.424 ' N ' ' O ' ' A' ' 659' ' ' GLN . 4.3 p -111.16 124.94 31.58 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 1.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 662' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.9 55.74 3.99 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.456 1.767 . . . . 1.0 111.027 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 1.4 ptmm? 40.85 62.56 1.38 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 1.0 109.323 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 664' ' ' MET . . . . . 0.492 ' CG ' ' N ' ' A' ' 665' ' ' LYS . 1.4 ttm 60.17 -100.74 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 1.0 111.007 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 665' ' ' LYS . . . . . 0.492 ' N ' ' CG ' ' A' ' 664' ' ' MET . 2.8 ttpt 76.32 -70.27 0.14 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.444 1.09 . . . . 1.0 109.323 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 666' ' ' ASN . . . . . . . . . . . . . 31.2 m-20 40.41 41.98 1.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.398 1.061 . . . . 1.0 109.251 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.43 77.49 0.39 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 1.0 109.342 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 668' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 56.27 4.25 Favored 'Trans proline' 0 C--N 1.361 1.225 0 O-C-N 124.481 1.78 . . . . 1.0 111.035 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 52.74 93.53 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.562 1.164 . . . . 1.0 110.285 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.25 1.106 0 CA-C-O 117.036 -1.459 . . . . 1.0 109.979 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.953 0 N-CA-C 111.029 -0.829 . . . . 1.0 111.029 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 553' ' ' SER . . . . . 0.452 ' O ' ' NH2' ' A' ' 587' ' ' ARG . 91.9 p -179.86 160.84 0.93 Allowed 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.455 0.739 . . . . 1.0 109.937 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 554' ' ' HIS . . . . . . . . . . . . . 13.8 m-70 -114.7 171.95 7.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.564 1.165 . . . . 1.0 109.58 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 555' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -159.45 163.48 35.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.122 . . . . 1.0 110.988 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . 132.9 179.81 16.63 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.433 1.083 . . . . 1.0 110.966 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 33.6 tttt -154.04 -41.98 0.09 Allowed 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.503 0.766 . . . . 1.0 109.268 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 558' ' ' ASP . . . . . 0.455 ' O ' ' HG3' ' A' ' 585' ' ' PRO . 0.5 OUTLIER -129.62 102.56 6.41 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.509 1.13 . . . . 1.0 109.235 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 559' ' ' CYS . . . . . 0.461 ' SG ' ' O ' ' A' ' 583' ' ' LEU . 53.8 t -65.62 136.9 56.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 1.0 108.337 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 560' ' ' ILE . . . . . 0.915 HG21 ' CG ' ' A' ' 646' ' ' GLU . 55.2 mt -69.25 -60.11 2.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.582 1.177 . . . . 1.0 109.329 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 561' ' ' MET . . . . . 0.566 ' HB2' ' HG2' ' A' ' 646' ' ' GLU . 0.0 OUTLIER -149.23 161.35 42.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.434 1.084 . . . . 1.0 111.003 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 562' ' ' HIS . . . . . 0.415 ' HA ' ' CZ2' ' A' ' 643' ' ' TRP . 0.8 OUTLIER -160.23 151.48 19.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 1.0 109.592 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 563' ' ' GLY . . . . . . . . . . . . . . . 167.86 -164.15 37.73 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.478 1.111 . . . . 1.0 111.004 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 564' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -104.55 123.57 47.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 0.772 . . . . 1.0 111.021 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 565' ' ' MET . . . . . 0.573 ' SD ' ' CD2' ' A' ' 643' ' ' TRP . 10.9 ptm -151.17 142.67 23.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 1.0 111.011 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 566' ' ' SER . . . . . 0.543 ' OG ' ' CG ' ' A' ' 633' ' ' GLN . 1.0 OUTLIER -86.02 155.89 20.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.43 1.081 . . . . 1.0 109.999 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 567' ' ' LYS . . . . . 0.549 ' CG ' ' HB3' ' A' ' 632' ' ' LEU . 3.0 tttp -159.9 148.17 17.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.387 1.054 . . . . 1.0 109.334 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 568' ' ' MET . . . . . 0.432 ' O ' ' O ' ' A' ' 631' ' ' ILE . 0.0 OUTLIER -164.43 175.82 9.61 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.371 1.044 . . . . 1.0 110.94 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 569' ' ' GLY . . . . . 0.41 ' C ' ' CG ' ' A' ' 570' ' ' ASN . . . 161.42 110.55 0.26 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.527 1.142 . . . . 1.0 111.013 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 570' ' ' ASN . . . . . 0.577 ' CB ' ' CD ' ' A' ' 571' ' ' PRO . 0.0 OUTLIER -165.9 -178.19 0.69 Allowed Pre-proline 0 C--N 1.324 -0.537 0 O-C-N 124.514 0.773 . . . . 1.0 109.35 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 571' ' ' PRO . . . . . 0.577 ' CD ' ' CB ' ' A' ' 570' ' ' ASN . 18.6 Cg_endo -74.97 8.92 2.19 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.518 1.799 . . . . 1.0 110.976 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 572' ' ' PHE . . . . . 0.55 ' CE2' ' HG2' ' A' ' 571' ' ' PRO . 8.6 m-85 -137.62 86.46 2.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 1.0 111.034 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.64 84.4 7.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 1.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 574' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -150.39 -30.18 0.21 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.55 1.156 . . . . 1.0 110.347 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 575' ' ' GLN . . . . . 0.601 ' O ' ' CD1' ' A' ' 576' ' ' TRP . 18.4 pt20 -86.4 148.54 25.53 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.522 1.138 . . . . 1.0 110.346 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 576' ' ' TRP . . . . . 0.601 ' CD1' ' O ' ' A' ' 575' ' ' GLN . 12.5 m0 -145.19 115.76 7.65 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.554 1.159 . . . . 1.0 108.066 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -134.8 129.55 34.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.451 1.095 . . . . 1.0 110.35 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 578' ' ' ARG . . . . . 0.432 ' HA ' ' HB2' ' A' ' 566' ' ' SER . 0.0 OUTLIER -86.67 139.02 31.19 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.43 1.081 . . . . 1.0 110.349 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 579' ' ' ARG . . . . . 0.525 ' O ' ' O ' ' A' ' 565' ' ' MET . 0.6 OUTLIER -140.78 164.78 29.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 1.0 110.276 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 580' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -89.15 125.93 35.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.555 1.159 . . . . 1.0 111.044 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 581' ' ' PHE . . . . . 0.578 ' CE2' ' CB ' ' A' ' 590' ' ' TRP . 25.7 m-85 -120.33 163.76 17.34 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.449 1.093 . . . . 1.0 110.987 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 582' ' ' TYR . . . . . 0.631 ' CA ' ' HH2' ' A' ' 643' ' ' TRP . 14.4 m-85 -139.36 121.18 15.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 1.0 110.951 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 583' ' ' LEU . . . . . 0.8 ' HB2' ' CZ3' ' A' ' 643' ' ' TRP . 7.7 tp -88.31 102.74 15.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.566 1.166 . . . . 1.0 109.252 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 584' ' ' PHE . . . . . 0.436 ' HB2' ' O ' ' A' ' 587' ' ' ARG . 0.3 OUTLIER -104.31 152.71 39.29 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 1.0 111.009 179.91 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 585' ' ' PRO . . . . . 0.644 ' O ' ' CB ' ' A' ' 586' ' ' ASN . 18.4 Cg_endo -75.04 66.83 6.04 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.386 1.729 . . . . 1.0 110.983 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 586' ' ' ASN . . . . . 0.771 ' CA ' ' HG2' ' A' ' 603' ' ' MET . 24.2 m-20 142.24 -40.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.085 . . . . 1.0 109.317 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 587' ' ' ARG . . . . . 0.575 ' HA ' ' HA ' ' A' ' 602' ' ' THR . 0.1 OUTLIER -122.53 -175.94 3.26 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.482 1.114 . . . . 1.0 110.261 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 588' ' ' LEU . . . . . 0.421 ' HA ' ' O ' ' A' ' 582' ' ' TYR . 0.1 OUTLIER -167.11 123.81 1.18 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 1.0 109.294 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 589' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -93.9 153.05 18.44 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.54 1.15 . . . . 1.0 110.3 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 590' ' ' TRP . . . . . 0.578 ' CB ' ' CE2' ' A' ' 581' ' ' PHE . 33.5 p-90 -158.1 102.63 1.8 Allowed 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.937 -1.134 . . . . 1.0 107.937 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 6.7 mmt180 -139.99 -177.36 4.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.59 1.181 . . . . 1.0 110.204 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . 169.31 -137.03 4.31 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.549 1.156 . . . . 1.0 110.972 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -77.93 173.18 12.43 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 0.74 . . . . 1.0 110.359 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . 83.37 -125.74 7.17 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.485 1.115 . . . . 1.0 110.965 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 595' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -169.77 161.34 9.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 0.748 . . . . 1.0 110.27 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . 179.14 156.99 0.65 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.117 . . . . 1.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 597' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -89.88 0.01 OUTLIER 'Trans proline' 0 C--N 1.362 1.249 0 O-C-N 124.471 1.774 . . . . 1.0 110.996 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 598' ' ' GLN . . . . . . . . . . . . . 5.2 mp0 -110.76 134.65 52.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 1.0 110.33 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 599' ' ' SER . . . . . 0.436 ' HB3' ' CE2' ' A' ' 590' ' ' TRP . 19.4 m -136.75 52.17 1.96 Allowed 'General case' 0 N--CA 1.451 -0.417 0 O-C-N 124.449 1.093 . . . . 1.0 109.988 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -140.53 116.07 10.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.393 1.058 . . . . 1.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -113.84 -176.16 2.84 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.481 1.113 . . . . 1.0 109.36 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 602' ' ' THR . . . . . 0.575 ' HA ' ' HA ' ' A' ' 587' ' ' ARG . 0.0 OUTLIER -104.63 -172.85 2.18 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.445 1.09 . . . . 1.0 110.395 -179.937 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 603' ' ' MET . . . . . 0.771 ' HG2' ' CA ' ' A' ' 586' ' ' ASN . 0.0 OUTLIER -129.31 30.11 5.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 1.0 110.976 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -123.82 58.43 1.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 1.0 110.271 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 605' ' ' GLU . . . . . 0.456 ' O ' ' C ' ' A' ' 606' ' ' ILE . 3.3 pt-20 -157.76 -51.49 0.07 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.527 1.142 . . . . 1.0 110.321 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 606' ' ' ILE . . . . . 0.967 ' CG2' ' CD2' ' A' ' 651' ' ' TYR . 0.9 OUTLIER -35.36 135.01 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.57 1.169 . . . . 1.0 109.322 179.945 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 607' ' ' GLN . . . . . 0.549 ' HG2' ' CB ' ' A' ' 625' ' ' ARG . 0.0 OUTLIER -87.42 -37.21 17.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.424 1.078 . . . . 1.0 110.367 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 608' ' ' SER . . . . . 0.428 ' HB2' ' HD3' ' A' ' 623' ' ' LYS . 3.5 m -174.9 134.18 0.35 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 1.0 109.98 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 609' ' ' VAL . . . . . 0.607 ' CG2' ' CD ' ' A' ' 644' ' ' LYS . 3.3 p -104.12 127.99 57.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 1.0 109.363 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 610' ' ' GLU . . . . . 0.514 ' HG3' ' CD2' ' A' ' 621' ' ' LEU . 3.1 pt-20 -150.39 -170.27 3.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 1.0 110.317 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 611' ' ' GLU . . . . . 0.51 ' HA ' ' HA ' ' A' ' 620' ' ' LEU . 18.7 tt0 -140.39 142.39 35.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 1.0 110.32 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 612' ' ' THR . . . . . 0.562 ' C ' ' HB3' ' A' ' 618' ' ' LYS . 0.0 OUTLIER -102.95 164.49 11.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 1.0 110.393 -179.919 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 60.5 mt-30 -129.89 160.86 32.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 1.0 110.337 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 614' ' ' ILE . . . . . 0.69 ' O ' ' CG2' ' A' ' 614' ' ' ILE . 0.1 OUTLIER -145.55 84.33 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.422 1.076 . . . . 1.0 109.379 179.934 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 615' ' ' LYS . . . . . 0.414 ' HB2' ' O ' ' A' ' 614' ' ' ILE . 2.8 mmmt 81.89 -33.18 0.1 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.456 1.097 . . . . 1.0 109.273 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 616' ' ' GLU . . . . . 0.433 ' H ' ' C ' ' A' ' 614' ' ' ILE . 3.5 tt0 -156.23 -48.41 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.596 1.185 . . . . 1.0 110.294 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -157.18 138.23 13.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.59 1.181 . . . . 1.0 110.27 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 618' ' ' LYS . . . . . 0.562 ' HB3' ' C ' ' A' ' 612' ' ' THR . 11.4 tptt -116.33 -97.16 0.46 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.418 1.074 . . . . 1.0 109.323 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 619' ' ' CYS . . . . . 0.473 ' O ' ' CG ' ' A' ' 611' ' ' GLU . 52.9 m -157.29 -178.91 7.7 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.564 1.165 . . . . 1.0 108.326 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 620' ' ' LEU . . . . . 0.52 ' CD1' ' CD1' ' A' ' 640' ' ' LEU . 0.2 OUTLIER -96.39 141.19 30.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 1.0 109.314 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 621' ' ' LEU . . . . . 0.514 ' CD2' ' HG3' ' A' ' 610' ' ' GLU . 1.0 OUTLIER -105.28 162.89 13.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 1.0 109.376 179.94 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 622' ' ' LEU . . . . . 0.474 HD11 ' CD2' ' A' ' 632' ' ' LEU . 0.1 OUTLIER -160.57 78.09 0.62 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 1.0 109.298 -179.919 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 623' ' ' LYS . . . . . 0.428 ' HD3' ' HB2' ' A' ' 608' ' ' SER . 0.0 OUTLIER -76.38 141.03 41.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.393 1.058 . . . . 1.0 109.292 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 624' ' ' ILE . . . . . 0.747 ' HA ' ' HA ' ' A' ' 606' ' ' ILE . 56.3 mt -106.24 145.64 13.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 1.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 625' ' ' ARG . . . . . 0.549 ' CB ' ' HG2' ' A' ' 607' ' ' GLN . 20.5 ptt180 -77.65 2.88 15.33 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.524 1.14 . . . . 1.0 110.252 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 626' ' ' GLY . . . . . . . . . . . . . . . -93.6 -22.9 25.13 Favored Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.517 1.136 . . . . 1.0 110.942 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 114.2 41.42 0.9 Allowed Glycine 0 CA--C 1.529 0.956 0 N-CA-C 111.058 -0.817 . . . . 1.0 111.058 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 628' ' ' LYS . . . . . . . . . . . . . 4.5 mtmt -147.21 120.79 9.13 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.469 0.747 . . . . 1.0 109.257 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -99.54 148.51 24.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.578 1.174 . . . . 1.0 110.379 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 630' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -127.21 157.46 39.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 1.0 111.053 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 631' ' ' ILE . . . . . 0.432 ' O ' ' O ' ' A' ' 568' ' ' MET . 0.5 OUTLIER -144.35 103.72 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 1.0 109.264 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 632' ' ' LEU . . . . . 0.549 ' HB3' ' CG ' ' A' ' 567' ' ' LYS . 0.2 OUTLIER -116.89 166.2 12.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.155 . . . . 1.0 109.294 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 633' ' ' GLN . . . . . 0.543 ' CG ' ' OG ' ' A' ' 566' ' ' SER . 12.1 pt20 -146.42 174.15 11.65 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.432 1.082 . . . . 1.0 110.296 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 634' ' ' CYS . . . . . 0.553 ' SG ' ' HA ' ' A' ' 565' ' ' MET . 0.5 OUTLIER -155.32 160.51 40.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 1.0 108.238 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 635' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.21 -14.38 33.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.41 1.069 . . . . 1.0 109.247 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 636' ' ' SER . . . . . 0.58 ' CB ' ' CG ' ' A' ' 639' ' ' GLU . 2.4 m -95.35 161.72 13.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 1.0 110.067 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 637' ' ' ASP . . . . . 0.554 ' N ' ' CD ' ' A' ' 638' ' ' PRO . 0.4 OUTLIER -92.26 -49.57 0.3 Allowed Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.46 1.1 . . . . 1.0 109.284 -179.941 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 638' ' ' PRO . . . . . 0.566 ' O ' ' C ' ' A' ' 639' ' ' GLU . 18.5 Cg_endo -74.99 -52.25 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.474 1.776 . . . . 1.0 111.029 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 639' ' ' GLU . . . . . 0.58 ' CG ' ' CB ' ' A' ' 636' ' ' SER . 20.3 mm-40 -23.66 -80.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 1.0 110.306 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 640' ' ' LEU . . . . . 0.52 ' CD1' ' CD1' ' A' ' 620' ' ' LEU . 0.2 OUTLIER -52.34 -47.57 65.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 1.0 109.243 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 641' ' ' VAL . . . . . 0.507 ' CG1' ' N ' ' A' ' 642' ' ' GLN . 0.8 OUTLIER -44.22 -57.52 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.164 . . . . 1.0 109.234 -179.943 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 642' ' ' GLN . . . . . 0.507 ' N ' ' CG1' ' A' ' 641' ' ' VAL . 0.1 OUTLIER -63.12 -40.95 99.08 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.403 1.064 . . . . 1.0 110.302 -179.94 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 643' ' ' TRP . . . . . 0.8 ' CZ3' ' HB2' ' A' ' 583' ' ' LEU . 24.1 m95 -54.62 -42.27 70.98 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 107.95 -1.13 . . . . 1.0 107.95 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 644' ' ' LYS . . . . . 0.607 ' CD ' ' CG2' ' A' ' 609' ' ' VAL . 0.0 OUTLIER -62.56 -55.94 22.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 1.0 109.273 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 11.3 tmtt? -44.12 -53.05 6.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.556 1.16 . . . . 1.0 109.278 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 646' ' ' GLU . . . . . 0.915 ' CG ' HG21 ' A' ' 560' ' ' ILE . 0.3 OUTLIER -68.38 -32.58 72.76 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.521 1.138 . . . . 1.0 110.294 -179.892 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 647' ' ' LEU . . . . . 0.668 ' CD2' HD13 ' A' ' 583' ' ' LEU . 1.7 mt -68.15 -61.77 1.7 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.503 1.127 . . . . 1.0 109.245 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 648' ' ' ARG . . . . . 0.474 ' HB3' ' CZ ' ' A' ' 648' ' ' ARG . 1.2 ttp-105 -39.28 -55.13 1.75 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.475 1.109 . . . . 1.0 110.234 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 649' ' ' ASP . . . . . 0.415 ' O ' ' N ' ' A' ' 653' ' ' GLU . 30.0 t0 -61.3 -49.66 76.14 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.484 1.115 . . . . 1.0 109.3 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 650' ' ' ALA . . . . . 0.464 ' O ' ' SD ' ' A' ' 603' ' ' MET . . . -46.45 -50.44 16.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.162 . . . . 1.0 109.267 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 651' ' ' TYR . . . . . 0.967 ' CD2' ' CG2' ' A' ' 606' ' ' ILE . 19.9 m-30 -71.81 -36.74 70.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.416 1.073 . . . . 1.0 111.027 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 652' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 655' ' ' GLN . 4.9 mmm180 -65.97 -66.34 0.56 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 1.0 110.288 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 653' ' ' GLU . . . . . 0.538 ' O ' ' N ' ' A' ' 657' ' ' LEU . 5.8 mt-10 -40.44 -55.01 2.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.434 1.084 . . . . 1.0 110.258 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -49.56 -41.65 42.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 1.0 109.311 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 655' ' ' GLN . . . . . 0.473 ' O ' ' N ' ' A' ' 659' ' ' GLN . 72.0 mt-30 -76.04 -61.63 1.87 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 1.0 110.274 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 656' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -53.64 -23.12 10.21 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.516 1.135 . . . . 1.0 110.251 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 657' ' ' LEU . . . . . 0.538 ' N ' ' O ' ' A' ' 653' ' ' GLU . 18.4 mt -87.66 -19.47 27.65 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.503 1.127 . . . . 1.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 658' ' ' VAL . . . . . 0.437 ' N ' ' O ' ' A' ' 655' ' ' GLN . 2.7 p -116.17 15.92 7.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.534 1.146 . . . . 1.0 109.329 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 659' ' ' GLN . . . . . 0.473 ' N ' ' O ' ' A' ' 655' ' ' GLN . 0.0 OUTLIER -85.37 46.86 1.34 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 1.0 110.318 179.94 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 660' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.87 15.72 5.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 1.0 110.301 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 661' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -91.64 161.82 33.07 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 1.0 109.307 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 662' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 -179.17 4.7 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.521 1.801 . . . . 1.0 111.093 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 15.4 ttmm -65.52 93.97 0.17 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.462 1.101 . . . . 1.0 109.281 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 664' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 61.7 157.45 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 1.0 110.946 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.24 92.72 6.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 1.0 109.336 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 666' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -83.3 58.06 4.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 1.0 109.311 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -168.25 108.22 0.55 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.596 1.185 . . . . 1.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 668' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.05 -30.7 6.81 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.512 1.796 . . . . 1.0 111.056 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 175.6 166.48 0.36 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.564 1.165 . . . . 1.0 110.233 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 7.4 t . . . . . 0 C--O 1.251 1.144 0 CA-C-O 116.988 -1.482 . . . . 1.0 110.0 179.967 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.957 0 N-CA-C 111.033 -0.827 . . . . 1.0 111.033 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 553' ' ' SER . . . . . . . . . . . . . 1.6 m 64.1 140.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 0.758 . . . . 1.0 109.985 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 554' ' ' HIS . . . . . . . . . . . . . 7.8 t60 -151.55 63.05 0.87 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 1.0 109.546 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 555' ' ' MET . . . . . . . . . . . . . 7.2 mtt -127.5 81.69 2.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 1.0 111.033 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . 55.41 171.82 0.09 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.482 1.114 . . . . 1.0 110.993 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 17.5 tttt -150.4 63.21 0.95 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.486 0.757 . . . . 1.0 109.332 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 558' ' ' ASP . . . . . 0.517 ' O ' ' HG3' ' A' ' 585' ' ' PRO . 69.0 m-20 -154.77 109.23 2.98 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.109 . . . . 1.0 109.353 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 559' ' ' CYS . . . . . 0.685 ' SG ' ' CD1' ' A' ' 584' ' ' PHE . 0.5 OUTLIER -69.69 143.55 53.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.432 1.083 . . . . 1.0 108.35 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 560' ' ' ILE . . . . . 0.709 HG23 ' CG ' ' A' ' 646' ' ' GLU . 19.3 mt -86.16 -56.8 4.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.546 1.153 . . . . 1.0 109.241 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 561' ' ' MET . . . . . 0.459 ' SD ' ' CD1' ' A' ' 643' ' ' TRP . 0.0 OUTLIER -144.77 138.17 26.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 1.0 110.992 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 562' ' ' HIS . . . . . . . . . . . . . 2.4 p80 -137.2 147.0 45.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 1.0 109.522 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 563' ' ' GLY . . . . . 0.476 ' N ' ' HZ2' ' A' ' 643' ' ' TRP . . . 174.59 -162.64 32.83 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.533 1.146 . . . . 1.0 110.991 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 564' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -103.71 124.23 48.48 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.537 0.786 . . . . 1.0 111.051 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 565' ' ' MET . . . . . 0.536 ' SD ' HD23 ' A' ' 640' ' ' LEU . 11.6 mtm -128.41 -171.27 2.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 1.0 111.021 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 566' ' ' SER . . . . . 0.584 ' OG ' ' CG ' ' A' ' 633' ' ' GLN . 0.9 OUTLIER -149.31 134.78 18.47 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.497 1.123 . . . . 1.0 110.028 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 567' ' ' LYS . . . . . 0.614 ' HE2' ' CD2' ' A' ' 630' ' ' PHE . 9.4 ttmt -128.72 159.7 34.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 1.0 109.281 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 568' ' ' MET . . . . . 0.433 ' N ' ' HG2' ' A' ' 567' ' ' LYS . 0.0 OUTLIER 178.76 170.74 0.84 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 1.0 111.012 179.882 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 569' ' ' GLY . . . . . 0.411 ' C ' ' CG ' ' A' ' 570' ' ' ASN . . . 159.11 118.16 0.51 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.485 1.116 . . . . 1.0 111.019 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 570' ' ' ASN . . . . . 0.569 ' CB ' ' CD ' ' A' ' 571' ' ' PRO . 0.0 OUTLIER -166.12 -178.56 0.73 Allowed Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.459 0.74 . . . . 1.0 109.308 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 571' ' ' PRO . . . . . 0.569 ' CD ' ' CB ' ' A' ' 570' ' ' ASN . 18.2 Cg_endo -75.01 8.29 2.48 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.531 1.806 . . . . 1.0 110.994 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 572' ' ' PHE . . . . . 0.562 ' CE2' ' HG2' ' A' ' 571' ' ' PRO . 21.5 m-85 -140.41 86.84 2.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 1.0 111.005 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.08 84.85 7.45 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.516 1.135 . . . . 1.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 574' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -149.96 -8.48 0.3 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.6 1.187 . . . . 1.0 110.369 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 575' ' ' GLN . . . . . 0.613 ' O ' ' CD1' ' A' ' 576' ' ' TRP . 18.5 pt20 -117.25 164.1 15.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 1.0 110.289 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 576' ' ' TRP . . . . . 0.613 ' CD1' ' O ' ' A' ' 575' ' ' GLN . 2.1 m-90 -146.44 140.66 26.44 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 107.94 -1.133 . . . . 1.0 107.94 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 577' ' ' GLN . . . . . 0.449 ' OE1' ' NH1' ' A' ' 579' ' ' ARG . 0.0 OUTLIER -127.11 120.44 28.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 1.0 110.319 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 578' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -92.26 119.23 31.66 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.529 1.143 . . . . 1.0 110.268 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 579' ' ' ARG . . . . . 0.62 ' HE ' ' N ' ' A' ' 592' ' ' GLY . 11.4 mmm-85 -134.38 167.1 21.36 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.436 1.085 . . . . 1.0 110.312 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 580' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -85.97 130.93 34.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.45 1.094 . . . . 1.0 110.986 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 581' ' ' PHE . . . . . 0.511 ' O ' ' CD1' ' A' ' 582' ' ' TYR . 1.4 m-85 -114.4 172.79 6.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.349 1.03 . . . . 1.0 110.977 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 582' ' ' TYR . . . . . 0.574 ' O ' ' HA ' ' A' ' 588' ' ' LEU . 5.3 m-85 -157.72 103.72 1.92 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.512 1.133 . . . . 1.0 110.933 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 583' ' ' LEU . . . . . 0.66 HD11 ' HG ' ' A' ' 647' ' ' LEU . 1.4 tt -86.11 110.26 19.42 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.515 1.134 . . . . 1.0 109.348 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 584' ' ' PHE . . . . . 0.685 ' CD1' ' SG ' ' A' ' 559' ' ' CYS . 1.7 m-85 -102.14 174.28 2.98 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 1.0 111.002 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 585' ' ' PRO . . . . . 0.517 ' HG3' ' O ' ' A' ' 558' ' ' ASP . 18.0 Cg_endo -75.09 2.06 7.1 Favored 'Trans proline' 0 C--N 1.361 1.232 0 O-C-N 124.398 1.736 . . . . 1.0 110.983 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 586' ' ' ASN . . . . . 0.728 ' HA ' ' CG ' ' A' ' 603' ' ' MET . 68.3 m-80 -165.16 -41.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 1.0 109.31 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 587' ' ' ARG . . . . . 0.596 ' HA ' ' HA ' ' A' ' 602' ' ' THR . 0.1 OUTLIER -87.26 -174.81 5.03 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.494 1.122 . . . . 1.0 110.247 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 588' ' ' LEU . . . . . 0.574 ' HA ' ' O ' ' A' ' 582' ' ' TYR . 0.2 OUTLIER 177.79 106.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.406 1.066 . . . . 1.0 109.343 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 589' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -100.43 148.34 24.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 1.0 110.329 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 590' ' ' TRP . . . . . 0.52 ' CE2' ' HB3' ' A' ' 599' ' ' SER . 1.6 p-90 -145.82 88.86 1.85 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 1.0 107.961 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.54 171.11 12.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 1.0 110.366 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 592' ' ' GLY . . . . . 0.62 ' N ' ' HE ' ' A' ' 579' ' ' ARG . . . -95.33 -138.41 9.59 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.527 1.142 . . . . 1.0 110.97 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 593' ' ' GLU . . . . . 0.471 ' O ' ' C ' ' A' ' 594' ' ' GLY . 0.0 OUTLIER -83.37 -174.08 5.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 0.778 . . . . 1.0 110.318 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 594' ' ' GLY . . . . . 0.471 ' C ' ' O ' ' A' ' 593' ' ' GLU . . . -32.24 130.35 0.25 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.503 1.127 . . . . 1.0 111.04 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 595' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 70.79 142.7 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 0.766 . . . . 1.0 110.22 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . 174.37 164.1 0.34 Allowed Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.511 1.132 . . . . 1.0 109.284 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 597' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 -172.08 1.16 Allowed 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.539 1.81 . . . . 1.0 110.997 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 598' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -89.78 114.67 26.41 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.553 1.158 . . . . 1.0 110.306 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 599' ' ' SER . . . . . 0.52 ' HB3' ' CE2' ' A' ' 590' ' ' TRP . 8.9 m -149.41 72.11 1.14 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.427 1.079 . . . . 1.0 109.984 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -139.98 116.81 10.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.565 1.166 . . . . 1.0 109.378 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -129.74 -169.11 2.06 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.512 1.133 . . . . 1.0 109.273 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 602' ' ' THR . . . . . 0.596 ' HA ' ' HA ' ' A' ' 587' ' ' ARG . 0.0 OUTLIER -112.01 -162.59 0.8 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 1.0 110.456 179.925 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 603' ' ' MET . . . . . 0.728 ' CG ' ' HA ' ' A' ' 586' ' ' ASN . 0.0 OUTLIER -124.55 39.05 4.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 1.0 110.961 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 604' ' ' GLU . . . . . 0.419 ' HA ' ' HB2' ' A' ' 654' ' ' ALA . 6.4 pt-20 -125.84 57.95 1.35 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.51 1.131 . . . . 1.0 110.262 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 605' ' ' GLU . . . . . 0.519 ' O ' ' C ' ' A' ' 606' ' ' ILE . 3.4 pt-20 -158.91 -52.77 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 1.0 110.313 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 606' ' ' ILE . . . . . 0.857 ' CG2' ' CD2' ' A' ' 651' ' ' TYR . 1.0 OUTLIER -31.64 137.09 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 1.0 109.332 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 607' ' ' GLN . . . . . 0.58 ' HG2' ' CB ' ' A' ' 625' ' ' ARG . 0.0 OUTLIER -91.35 -36.32 13.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.43 1.082 . . . . 1.0 110.414 179.932 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 608' ' ' SER . . . . . 0.417 ' HB2' ' HD3' ' A' ' 623' ' ' LYS . 3.1 m -173.51 135.18 0.53 Allowed 'General case' 0 C--N 1.327 -0.383 0 O-C-N 124.45 1.093 . . . . 1.0 109.934 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 609' ' ' VAL . . . . . 0.575 HG21 ' CD ' ' A' ' 644' ' ' LYS . 6.7 p -104.86 127.42 59.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 1.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 610' ' ' GLU . . . . . 0.618 ' O ' ' N ' ' A' ' 621' ' ' LEU . 0.3 OUTLIER -150.77 175.43 12.0 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.394 1.059 . . . . 1.0 110.382 179.923 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 611' ' ' GLU . . . . . 0.442 ' HA ' ' H ' ' A' ' 621' ' ' LEU . 23.0 tt0 -137.98 138.26 38.74 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.495 1.122 . . . . 1.0 110.285 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 612' ' ' THR . . . . . 0.524 ' C ' ' HB3' ' A' ' 618' ' ' LYS . 0.1 OUTLIER -96.1 162.45 13.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.388 1.055 . . . . 1.0 110.382 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -130.1 153.86 48.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 1.0 110.297 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 614' ' ' ILE . . . . . 0.722 ' O ' ' CG2' ' A' ' 614' ' ' ILE . 0.5 OUTLIER -142.01 85.71 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.55 1.156 . . . . 1.0 109.269 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 615' ' ' LYS . . . . . 0.422 ' CB ' ' O ' ' A' ' 614' ' ' ILE . 10.4 ttpt 82.9 -35.06 0.08 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.542 1.151 . . . . 1.0 109.259 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 616' ' ' GLU . . . . . 0.418 ' H ' ' C ' ' A' ' 614' ' ' ILE . 2.7 tt0 -156.48 -48.0 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 1.0 110.324 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -156.67 143.15 18.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.093 . . . . 1.0 110.327 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 618' ' ' LYS . . . . . 0.524 ' HB3' ' C ' ' A' ' 612' ' ' THR . 9.5 tptt -119.96 -93.91 0.51 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.581 1.175 . . . . 1.0 109.354 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 619' ' ' CYS . . . . . 0.462 ' SG ' ' N ' ' A' ' 620' ' ' LEU . 42.0 t -159.26 161.75 36.01 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.521 1.138 . . . . 1.0 108.282 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 620' ' ' LEU . . . . . 0.601 ' CB ' HD13 ' A' ' 640' ' ' LEU . 0.3 OUTLIER -84.22 130.09 34.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.393 1.058 . . . . 1.0 109.317 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 621' ' ' LEU . . . . . 0.618 ' N ' ' O ' ' A' ' 610' ' ' GLU . 0.8 OUTLIER -92.86 157.07 16.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.459 1.099 . . . . 1.0 109.389 179.89 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 622' ' ' LEU . . . . . 0.636 ' CD2' HG12 ' A' ' 606' ' ' ILE . 0.3 OUTLIER -155.93 86.78 1.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 1.0 109.368 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 623' ' ' LYS . . . . . 0.417 ' HD3' ' HB2' ' A' ' 608' ' ' SER . 0.0 OUTLIER -87.91 138.87 31.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 1.0 109.322 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 624' ' ' ILE . . . . . 0.729 ' HA ' ' HA ' ' A' ' 606' ' ' ILE . 79.1 mt -105.01 145.38 13.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.445 1.091 . . . . 1.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 625' ' ' ARG . . . . . 0.58 ' CB ' ' HG2' ' A' ' 607' ' ' GLN . 4.9 ptm180 -77.36 2.52 15.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 1.0 110.306 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 626' ' ' GLY . . . . . 0.408 ' H ' ' CG2' ' A' ' 624' ' ' ILE . . . -91.45 -16.59 52.42 Favored Glycine 0 CA--C 1.532 1.13 0 O-C-N 124.537 1.148 . . . . 1.0 110.975 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 106.51 42.13 1.64 Allowed Glycine 0 CA--C 1.53 1.012 0 N-CA-C 110.935 -0.866 . . . . 1.0 110.935 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 628' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -149.8 122.27 8.51 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.557 0.798 . . . . 1.0 109.325 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -101.87 147.55 26.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.573 1.171 . . . . 1.0 110.335 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 630' ' ' PHE . . . . . 0.614 ' CD2' ' HE2' ' A' ' 567' ' ' LYS . 12.1 m-85 -135.34 149.73 49.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.583 1.177 . . . . 1.0 111.009 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 631' ' ' ILE . . . . . 0.565 ' CG2' ' O ' ' A' ' 631' ' ' ILE . 0.1 OUTLIER -132.28 106.27 10.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.5 1.125 . . . . 1.0 109.309 179.952 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 632' ' ' LEU . . . . . 0.488 ' N ' ' CD2' ' A' ' 632' ' ' LEU . 0.3 OUTLIER -114.13 143.69 44.38 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.441 1.088 . . . . 1.0 109.295 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 633' ' ' GLN . . . . . 0.584 ' CG ' ' OG ' ' A' ' 566' ' ' SER . 17.6 pt20 -122.85 178.52 5.0 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.46 1.1 . . . . 1.0 110.322 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 634' ' ' CYS . . . . . 0.501 ' SG ' ' HB2' ' A' ' 640' ' ' LEU . 23.9 p -152.6 165.33 35.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 1.0 108.289 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 635' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -99.05 -10.69 22.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.559 1.162 . . . . 1.0 109.274 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 636' ' ' SER . . . . . 0.519 ' CB ' ' HG3' ' A' ' 639' ' ' GLU . 0.4 OUTLIER -95.16 179.58 5.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.565 1.166 . . . . 1.0 110.026 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 637' ' ' ASP . . . . . 0.595 ' CB ' ' HD3' ' A' ' 638' ' ' PRO . 0.4 OUTLIER -106.12 -57.13 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 1.0 109.251 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 638' ' ' PRO . . . . . 0.595 ' HD3' ' CB ' ' A' ' 637' ' ' ASP . 18.4 Cg_endo -74.96 -40.83 0.79 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.562 1.822 . . . . 1.0 111.049 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 639' ' ' GLU . . . . . 0.55 ' C ' ' O ' ' A' ' 638' ' ' PRO . 10.8 mt-10 -25.79 -83.06 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.53 1.143 . . . . 1.0 110.326 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 640' ' ' LEU . . . . . 0.601 HD13 ' CB ' ' A' ' 620' ' ' LEU . 0.2 OUTLIER -48.41 -48.61 37.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 1.0 109.291 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 641' ' ' VAL . . . . . 0.436 ' CG1' ' N ' ' A' ' 642' ' ' GLN . 0.7 OUTLIER -43.08 -52.9 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 1.0 109.263 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 642' ' ' GLN . . . . . 0.436 ' N ' ' CG1' ' A' ' 641' ' ' VAL . 0.0 OUTLIER -68.17 -40.07 82.4 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.556 1.16 . . . . 1.0 110.33 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 643' ' ' TRP . . . . . 0.648 ' CZ3' ' CB ' ' A' ' 583' ' ' LEU . 45.7 m95 -58.47 -41.58 85.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.574 1.171 . . . . 1.0 108.018 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 644' ' ' LYS . . . . . 0.575 ' CD ' HG21 ' A' ' 609' ' ' VAL . 0.1 OUTLIER -62.22 -56.58 17.25 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 1.0 109.306 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 645' ' ' LYS . . . . . 0.442 ' CD ' ' OE1' ' A' ' 646' ' ' GLU . 2.6 tmtt? -41.63 -55.47 2.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 1.0 109.328 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 646' ' ' GLU . . . . . 0.709 ' CG ' HG23 ' A' ' 560' ' ' ILE . 0.3 OUTLIER -67.87 -34.61 77.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.571 1.169 . . . . 1.0 110.332 179.914 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 647' ' ' LEU . . . . . 0.66 ' HG ' HD11 ' A' ' 583' ' ' LEU . 6.8 mt -63.93 -63.68 1.09 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.507 1.129 . . . . 1.0 109.324 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 648' ' ' ARG . . . . . 0.526 ' HG3' ' CG1' ' A' ' 609' ' ' VAL . 6.3 ttm180 -38.94 -52.8 1.78 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 1.0 110.304 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 649' ' ' ASP . . . . . 0.41 ' O ' ' HB2' ' A' ' 653' ' ' GLU . 24.4 t70 -62.97 -40.18 96.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 1.0 109.258 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 650' ' ' ALA . . . . . 0.482 ' CA ' ' SD ' ' A' ' 603' ' ' MET . . . -54.23 -49.16 70.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 1.0 109.255 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 651' ' ' TYR . . . . . 0.857 ' CD2' ' CG2' ' A' ' 606' ' ' ILE . 3.6 m-30 -75.5 -39.56 58.37 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.524 1.14 . . . . 1.0 111.002 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 652' ' ' ARG . . . . . 0.512 ' O ' ' HB2' ' A' ' 655' ' ' GLN . 0.0 OUTLIER -62.52 -61.28 2.54 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.597 1.186 . . . . 1.0 110.37 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 653' ' ' GLU . . . . . 0.573 ' HA ' ' CG ' ' A' ' 656' ' ' GLN . 28.6 mt-10 -46.55 -57.25 4.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 1.0 110.269 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 654' ' ' ALA . . . . . 0.419 ' HB2' ' HA ' ' A' ' 604' ' ' GLU . . . -44.98 -37.38 3.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.569 1.168 . . . . 1.0 109.218 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 655' ' ' GLN . . . . . 0.512 ' HB2' ' O ' ' A' ' 652' ' ' ARG . 57.7 mt-30 -72.1 -67.89 0.51 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.578 1.174 . . . . 1.0 110.27 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 656' ' ' GLN . . . . . 0.573 ' CG ' ' HA ' ' A' ' 653' ' ' GLU . 5.6 pt20 -51.62 -21.19 2.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 1.0 110.237 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 657' ' ' LEU . . . . . 0.485 ' HB2' ' O ' ' A' ' 653' ' ' GLU . 9.4 mp -87.16 -25.95 23.83 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.43 1.081 . . . . 1.0 109.367 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 658' ' ' VAL . . . . . 0.47 ' N ' ' O ' ' A' ' 655' ' ' GLN . 2.6 p -108.79 14.48 8.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.554 1.159 . . . . 1.0 109.329 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 659' ' ' GLN . . . . . 0.429 ' N ' ' O ' ' A' ' 655' ' ' GLN . 1.3 mt-30 -85.92 46.78 1.36 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.499 1.124 . . . . 1.0 110.313 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 660' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.74 14.88 7.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 1.0 110.26 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 661' ' ' VAL . . . . . . . . . . . . . 11.1 p -48.39 124.42 11.55 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 1.0 109.295 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 662' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 56.84 4.33 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.48 1.779 . . . . 1.0 111.012 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 42.88 62.83 1.65 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 1.0 109.344 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 664' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 38.43 83.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.419 1.074 . . . . 1.0 110.976 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 7.0 ttmt -100.78 -46.91 5.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 1.0 109.231 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 666' ' ' ASN . . . . . 0.421 ' O ' ' OG ' ' A' ' 670' ' ' SER . 1.7 m120 -65.01 -26.54 68.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 1.0 109.252 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.43 139.66 0.05 OUTLIER Pre-proline 0 C--N 1.323 -0.546 0 O-C-N 124.51 1.131 . . . . 1.0 109.33 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 668' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -38.35 1.6 Allowed 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.561 1.822 . . . . 1.0 110.978 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 1.2 tpt85 -88.87 -56.31 3.34 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.414 1.072 . . . . 1.0 110.287 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 670' ' ' SER . . . . . 0.421 ' OG ' ' O ' ' A' ' 666' ' ' ASN . 67.0 m . . . . . 0 C--O 1.25 1.117 0 CA-C-O 117.004 -1.474 . . . . 1.0 110.015 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.06 0 N-CA-C 111.01 -0.836 . . . . 1.0 111.01 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 553' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.44 163.79 31.03 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.55 0.794 . . . . 1.0 110.038 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 554' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -103.17 174.79 5.71 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 1.0 109.573 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 555' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -113.97 -167.86 1.27 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.39 1.056 . . . . 1.0 111.005 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . -52.93 -171.54 0.03 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.55 1.156 . . . . 1.0 110.995 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 5.9 tttp -141.15 69.46 1.34 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 0.766 . . . . 1.0 109.308 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 558' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -155.19 110.3 3.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.566 1.166 . . . . 1.0 109.328 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 559' ' ' CYS . . . . . 0.418 ' SG ' ' O ' ' A' ' 583' ' ' LEU . 40.1 t -69.35 144.48 53.46 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.502 1.126 . . . . 1.0 108.306 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 560' ' ' ILE . . . . . 0.649 HG23 ' CG ' ' A' ' 646' ' ' GLU . 12.1 mt -84.04 -62.18 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.425 1.078 . . . . 1.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 561' ' ' MET . . . . . 0.49 ' SD ' ' NE1' ' A' ' 643' ' ' TRP . 0.0 OUTLIER -131.12 135.96 47.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.551 1.157 . . . . 1.0 110.951 -179.905 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 562' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -135.74 142.91 45.06 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.498 1.124 . . . . 1.0 109.523 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 563' ' ' GLY . . . . . 0.516 ' O ' ' CD1' ' A' ' 580' ' ' TYR . . . 167.53 -161.9 35.69 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.492 1.12 . . . . 1.0 111.05 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 564' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -93.37 127.03 38.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.457 0.74 . . . . 1.0 111.002 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 565' ' ' MET . . . . . 0.497 ' O ' ' O ' ' A' ' 579' ' ' ARG . 0.0 OUTLIER -137.57 124.15 20.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.533 1.146 . . . . 1.0 110.969 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 566' ' ' SER . . . . . 0.474 ' O ' ' N ' ' A' ' 633' ' ' GLN . 0.5 OUTLIER -100.79 100.12 10.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 1.0 110.008 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 567' ' ' LYS . . . . . 0.596 ' NZ ' ' CD2' ' A' ' 630' ' ' PHE . 0.0 OUTLIER -136.96 165.15 26.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 1.0 109.277 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 568' ' ' MET . . . . . 0.498 ' N ' ' CG ' ' A' ' 567' ' ' LYS . 0.0 OUTLIER -171.16 168.28 6.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 1.0 111.002 179.933 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 569' ' ' GLY . . . . . 0.419 ' C ' ' CG ' ' A' ' 570' ' ' ASN . . . -156.03 119.5 0.92 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.528 1.143 . . . . 1.0 110.991 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 570' ' ' ASN . . . . . 0.571 ' CB ' ' CD ' ' A' ' 571' ' ' PRO . 0.0 OUTLIER -166.06 -178.51 0.72 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.504 0.767 . . . . 1.0 109.336 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 571' ' ' PRO . . . . . 0.571 ' CD ' ' CB ' ' A' ' 570' ' ' ASN . 18.8 Cg_endo -74.93 21.96 0.42 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.402 1.738 . . . . 1.0 111.056 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 572' ' ' PHE . . . . . 0.495 ' H ' ' C ' ' A' ' 570' ' ' ASN . 16.0 m-85 -143.96 88.25 1.96 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.398 1.061 . . . . 1.0 110.948 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -84.86 84.62 7.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 1.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 574' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -161.61 -36.19 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.165 . . . . 1.0 110.433 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 575' ' ' GLN . . . . . 0.571 ' O ' ' CD1' ' A' ' 576' ' ' TRP . 29.4 pt20 -87.35 163.81 16.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.103 . . . . 1.0 110.221 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 576' ' ' TRP . . . . . 0.571 ' CD1' ' O ' ' A' ' 575' ' ' GLN . 3.2 m-90 -153.63 125.17 7.61 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 107.938 -1.134 . . . . 1.0 107.938 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 577' ' ' GLN . . . . . 0.448 ' OE1' ' NH2' ' A' ' 579' ' ' ARG . 3.9 tt0 -100.78 140.45 35.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.438 1.086 . . . . 1.0 110.333 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 578' ' ' ARG . . . . . 0.43 ' HA ' ' HB2' ' A' ' 566' ' ' SER . 5.5 mtt180 -96.05 104.43 16.38 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 1.0 110.26 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 579' ' ' ARG . . . . . 0.497 ' O ' ' O ' ' A' ' 565' ' ' MET . 1.1 mtt180 -134.31 160.56 37.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 1.0 110.296 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 580' ' ' TYR . . . . . 0.516 ' CD1' ' O ' ' A' ' 563' ' ' GLY . 0.8 OUTLIER -89.57 125.74 35.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 1.0 111.078 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 581' ' ' PHE . . . . . 0.573 ' CD2' ' HB3' ' A' ' 590' ' ' TRP . 16.8 m-85 -114.13 171.17 7.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.408 1.067 . . . . 1.0 110.919 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 582' ' ' TYR . . . . . 0.467 ' CA ' ' HH2' ' A' ' 643' ' ' TRP . 41.1 m-85 -143.83 118.96 10.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 1.0 111.06 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 583' ' ' LEU . . . . . 0.778 ' HB2' ' CZ3' ' A' ' 643' ' ' TRP . 6.3 tp -88.84 109.82 20.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 1.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 584' ' ' PHE . . . . . 0.548 ' O ' HD13 ' A' ' 560' ' ' ILE . 0.6 OUTLIER -100.24 174.76 2.77 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.443 1.089 . . . . 1.0 111.019 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 585' ' ' PRO . . . . . 0.578 ' O ' ' HE3' ' A' ' 603' ' ' MET . 18.1 Cg_endo -75.07 9.97 1.88 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.486 1.782 . . . . 1.0 110.968 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 586' ' ' ASN . . . . . 0.717 ' HA ' ' CG ' ' A' ' 603' ' ' MET . 6.9 m-20 179.17 -38.99 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 1.0 109.314 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 587' ' ' ARG . . . . . 0.568 ' HA ' ' HA ' ' A' ' 602' ' ' THR . 0.5 OUTLIER -87.52 -170.49 3.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 1.0 110.278 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 588' ' ' LEU . . . . . 0.44 ' HA ' ' O ' ' A' ' 582' ' ' TYR . 0.1 OUTLIER -175.99 112.97 0.12 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.43 1.081 . . . . 1.0 109.232 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 589' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -102.57 147.38 26.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.429 1.081 . . . . 1.0 110.221 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 590' ' ' TRP . . . . . 0.573 ' HB3' ' CD2' ' A' ' 581' ' ' PHE . 1.2 p-90 -153.51 119.17 5.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 1.0 108.064 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 591' ' ' ARG . . . . . 0.491 ' NH1' ' O ' ' A' ' 597' ' ' PRO . 3.1 mmt180 -140.11 -174.27 3.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 1.0 110.234 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . -176.74 173.79 46.55 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.5 1.125 . . . . 1.0 111.017 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.02 142.78 54.51 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.583 0.814 . . . . 1.0 110.337 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . 123.24 -135.8 10.15 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.525 1.141 . . . . 1.0 111.02 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 595' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -137.83 139.48 39.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 0.729 . . . . 1.0 110.232 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . 175.62 160.62 0.41 Allowed Pre-proline 0 C--N 1.326 -0.419 0 O-C-N 124.551 1.157 . . . . 1.0 109.308 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 597' ' ' PRO . . . . . 0.491 ' O ' ' NH1' ' A' ' 591' ' ' ARG . 18.3 Cg_endo -74.96 -173.36 1.53 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.394 1.734 . . . . 1.0 111.03 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 598' ' ' GLN . . . . . 0.452 ' HA ' ' CZ ' ' A' ' 591' ' ' ARG . 11.2 pt20 -84.74 131.24 34.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 1.0 110.315 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 599' ' ' SER . . . . . 0.531 ' OG ' ' CZ2' ' A' ' 590' ' ' TRP . 0.1 OUTLIER -124.38 100.22 6.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 1.0 109.985 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -136.66 82.82 1.96 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.612 1.195 . . . . 1.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -84.3 -172.17 4.02 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.476 1.11 . . . . 1.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 602' ' ' THR . . . . . 0.568 ' HA ' ' HA ' ' A' ' 587' ' ' ARG . 0.1 OUTLIER -118.93 -170.85 1.99 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 1.0 110.463 179.933 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 603' ' ' MET . . . . . 0.717 ' CG ' ' HA ' ' A' ' 586' ' ' ASN . 0.2 OUTLIER -125.96 37.36 4.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 1.0 110.961 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 604' ' ' GLU . . . . . 0.512 ' HA ' ' HB2' ' A' ' 654' ' ' ALA . 8.1 pt-20 -124.59 59.64 1.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.568 1.168 . . . . 1.0 110.312 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 605' ' ' GLU . . . . . 0.459 ' O ' ' CG ' ' A' ' 625' ' ' ARG . 2.5 pt-20 -158.9 -48.9 0.06 Allowed 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.499 1.125 . . . . 1.0 110.37 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 606' ' ' ILE . . . . . 0.991 ' CG2' ' CD2' ' A' ' 651' ' ' TYR . 0.9 OUTLIER -39.7 140.6 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.564 1.165 . . . . 1.0 109.323 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 607' ' ' GLN . . . . . 0.602 ' HG2' ' CB ' ' A' ' 625' ' ' ARG . 0.5 OUTLIER -91.01 -38.79 12.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 1.0 110.346 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 608' ' ' SER . . . . . 0.43 ' HB2' ' HD3' ' A' ' 623' ' ' LYS . 1.1 m -175.1 132.96 0.31 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 1.0 109.969 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 609' ' ' VAL . . . . . 0.502 ' CG2' ' CD ' ' A' ' 644' ' ' LYS . 6.3 p -104.47 139.7 24.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.486 1.116 . . . . 1.0 109.349 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 610' ' ' GLU . . . . . 0.552 ' CD ' ' CD2' ' A' ' 621' ' ' LEU . 0.7 OUTLIER -159.43 -171.87 3.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.115 . . . . 1.0 110.236 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 611' ' ' GLU . . . . . 0.604 ' HA ' ' HA ' ' A' ' 620' ' ' LEU . 25.2 tt0 -138.75 143.73 39.14 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.488 1.118 . . . . 1.0 110.283 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 612' ' ' THR . . . . . 0.569 ' C ' ' HB3' ' A' ' 618' ' ' LYS . 0.0 OUTLIER -107.31 165.26 11.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 1.0 110.364 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -129.58 159.17 37.18 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.394 1.058 . . . . 1.0 110.314 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 614' ' ' ILE . . . . . 0.688 ' O ' ' CG2' ' A' ' 614' ' ' ILE . 0.1 OUTLIER -145.97 84.19 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 1.0 109.288 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 615' ' ' LYS . . . . . 0.417 ' HB2' ' O ' ' A' ' 614' ' ' ILE . 35.5 mmtt 81.8 -33.59 0.1 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.498 1.124 . . . . 1.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 616' ' ' GLU . . . . . 0.431 ' H ' ' C ' ' A' ' 614' ' ' ILE . 2.3 tt0 -156.0 -48.63 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.159 . . . . 1.0 110.311 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -157.5 137.74 12.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 1.0 110.276 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 618' ' ' LYS . . . . . 0.569 ' HB3' ' C ' ' A' ' 612' ' ' THR . 0.4 OUTLIER -115.09 -95.98 0.46 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 1.0 109.266 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 619' ' ' CYS . . . . . 0.501 ' O ' ' CG ' ' A' ' 611' ' ' GLU . 17.2 m -158.39 -175.97 5.63 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.547 1.154 . . . . 1.0 108.289 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 620' ' ' LEU . . . . . 0.604 ' HA ' ' HA ' ' A' ' 611' ' ' GLU . 0.2 OUTLIER -101.61 130.12 47.87 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.323 1.015 . . . . 1.0 109.248 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 621' ' ' LEU . . . . . 0.552 ' CD2' ' CD ' ' A' ' 610' ' ' GLU . 2.8 tp -86.13 161.0 19.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.095 . . . . 1.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 622' ' ' LEU . . . . . 0.596 ' CD2' HG12 ' A' ' 606' ' ' ILE . 0.9 OUTLIER -158.98 83.05 0.79 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 1.0 109.28 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 623' ' ' LYS . . . . . 0.43 ' HD3' ' HB2' ' A' ' 608' ' ' SER . 0.0 OUTLIER -85.78 140.11 30.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 1.0 109.242 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 624' ' ' ILE . . . . . 0.745 ' HA ' ' HA ' ' A' ' 606' ' ' ILE . 92.1 mt -105.53 145.13 14.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.088 . . . . 1.0 109.343 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 625' ' ' ARG . . . . . 0.602 ' CB ' ' HG2' ' A' ' 607' ' ' GLN . 3.1 ptm180 -78.37 3.02 16.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 1.0 110.263 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 626' ' ' GLY . . . . . 0.421 ' H ' ' CG2' ' A' ' 624' ' ' ILE . . . -90.23 -13.43 60.27 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.534 1.146 . . . . 1.0 111.027 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 106.69 43.21 1.46 Allowed Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.999 -0.84 . . . . 1.0 110.999 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 628' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -147.45 164.37 33.57 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 0.788 . . . . 1.0 109.247 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 63.5 mt-30 -135.0 147.44 49.7 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.554 1.159 . . . . 1.0 110.34 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 630' ' ' PHE . . . . . 0.596 ' CD2' ' NZ ' ' A' ' 567' ' ' LYS . 1.3 m-85 -136.04 161.94 34.29 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.546 1.154 . . . . 1.0 110.964 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 631' ' ' ILE . . . . . . . . . . . . . 2.2 mm -134.01 140.03 47.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 O-C-N 124.612 1.195 . . . . 1.0 109.344 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 632' ' ' LEU . . . . . 0.548 HD12 ' CD1' ' A' ' 622' ' ' LEU . 0.4 OUTLIER -124.29 157.38 35.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 1.0 109.313 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 633' ' ' GLN . . . . . 0.474 ' N ' ' O ' ' A' ' 566' ' ' SER . 30.3 tp60 -155.82 140.17 16.7 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 1.0 110.303 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 634' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -149.35 169.25 21.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 1.0 108.213 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 635' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -94.66 -18.67 21.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.568 1.167 . . . . 1.0 109.283 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 636' ' ' SER . . . . . 0.575 ' CB ' ' CG ' ' A' ' 639' ' ' GLU . 0.6 OUTLIER -87.74 139.97 29.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.602 1.189 . . . . 1.0 110.018 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 637' ' ' ASP . . . . . 0.63 ' N ' ' CD ' ' A' ' 638' ' ' PRO . 0.2 OUTLIER -79.94 -44.55 1.5 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.15 . . . . 1.0 109.179 -179.918 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 638' ' ' PRO . . . . . 0.63 ' CD ' ' N ' ' A' ' 637' ' ' ASP . 18.4 Cg_endo -74.99 -52.35 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.392 1.733 . . . . 1.0 111.044 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 639' ' ' GLU . . . . . 0.575 ' CG ' ' CB ' ' A' ' 636' ' ' SER . 32.9 mm-40 -26.02 -76.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 1.0 110.232 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 640' ' ' LEU . . . . . 0.553 ' CD1' ' CD1' ' A' ' 620' ' ' LEU . 0.3 OUTLIER -53.4 -48.33 68.77 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.41 1.069 . . . . 1.0 109.283 -179.897 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 641' ' ' VAL . . . . . 0.495 ' CG1' ' N ' ' A' ' 642' ' ' GLN . 0.7 OUTLIER -45.39 -56.67 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 124.426 1.079 . . . . 1.0 109.296 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 642' ' ' GLN . . . . . 0.495 ' N ' ' CG1' ' A' ' 641' ' ' VAL . 0.0 OUTLIER -64.34 -40.23 95.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 1.0 110.302 -179.921 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 643' ' ' TRP . . . . . 0.778 ' CZ3' ' HB2' ' A' ' 583' ' ' LEU . 18.7 m95 -56.33 -48.03 77.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 1.0 108.029 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 644' ' ' LYS . . . . . 0.568 ' HA ' ' HB2' ' A' ' 647' ' ' LEU . 0.0 OUTLIER -57.72 -57.68 11.68 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.478 1.111 . . . . 1.0 109.299 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 645' ' ' LYS . . . . . 0.404 ' CD ' ' OE1' ' A' ' 646' ' ' GLU . 0.0 OUTLIER -41.38 -54.88 2.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.653 1.221 . . . . 1.0 109.344 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 646' ' ' GLU . . . . . 0.649 ' CG ' HG23 ' A' ' 560' ' ' ILE . 0.1 OUTLIER -70.35 -30.13 66.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 1.0 110.322 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 647' ' ' LEU . . . . . 0.609 ' HG ' ' CD1' ' A' ' 583' ' ' LEU . 0.7 OUTLIER -70.0 -62.93 1.19 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.543 1.152 . . . . 1.0 109.316 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 648' ' ' ARG . . . . . 0.555 ' N ' ' O ' ' A' ' 644' ' ' LYS . 4.9 ttt85 -39.12 -54.6 1.73 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 1.0 110.243 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 649' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -61.52 -47.89 83.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 1.0 109.362 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 650' ' ' ALA . . . . . 0.533 ' CB ' ' SD ' ' A' ' 603' ' ' MET . . . -46.97 -47.24 21.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 1.0 109.354 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 651' ' ' TYR . . . . . 0.991 ' CD2' ' CG2' ' A' ' 606' ' ' ILE . 22.2 m-30 -76.42 -39.04 54.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.441 1.088 . . . . 1.0 110.985 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 652' ' ' ARG . . . . . 0.497 ' O ' ' HB2' ' A' ' 655' ' ' GLN . 2.8 mtt180 -62.97 -61.11 2.62 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.578 1.174 . . . . 1.0 110.306 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 653' ' ' GLU . . . . . 0.588 ' HA ' ' CG ' ' A' ' 656' ' ' GLN . 6.3 mt-10 -47.68 -57.67 5.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.572 1.17 . . . . 1.0 110.324 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 654' ' ' ALA . . . . . 0.512 ' HB2' ' HA ' ' A' ' 604' ' ' GLU . . . -44.45 -37.59 3.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.426 1.079 . . . . 1.0 109.311 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 655' ' ' GLN . . . . . 0.497 ' HB2' ' O ' ' A' ' 652' ' ' ARG . 52.1 mt-30 -71.6 -67.59 0.51 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.434 1.084 . . . . 1.0 110.297 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 656' ' ' GLN . . . . . 0.588 ' CG ' ' HA ' ' A' ' 653' ' ' GLU . 4.3 pt20 -52.07 -19.73 2.07 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 1.0 110.28 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 657' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 653' ' ' GLU . 9.7 mp -86.49 -26.76 24.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.408 1.068 . . . . 1.0 109.325 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 658' ' ' VAL . . . . . 0.465 ' N ' ' O ' ' A' ' 655' ' ' GLN . 4.4 p -109.99 12.94 8.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 1.0 109.373 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 659' ' ' GLN . . . . . 0.441 ' N ' ' O ' ' A' ' 655' ' ' GLN . 0.0 OUTLIER -65.69 -53.05 46.32 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.437 1.085 . . . . 1.0 110.387 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 660' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.6 66.51 0.13 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.468 1.105 . . . . 1.0 110.339 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 661' ' ' VAL . . . . . 0.403 ' N ' ' O ' ' A' ' 659' ' ' GLN . 2.3 m -77.02 160.56 75.97 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 1.0 109.311 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 662' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -178.64 4.31 Favored 'Trans proline' 0 C--N 1.359 1.089 0 O-C-N 124.486 1.782 . . . . 1.0 110.942 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.7 -62.13 1.6 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.509 1.131 . . . . 1.0 109.329 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 664' ' ' MET . . . . . . . . . . . . . 1.1 ttp -159.69 82.7 0.74 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 1.0 110.946 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.87 62.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 1.0 109.355 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 666' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -97.12 -51.99 4.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 1.0 109.317 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.42 132.45 24.0 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 1.0 109.365 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 668' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -37.31 2.14 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.478 1.778 . . . . 1.0 110.986 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 65.73 161.14 0.14 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.504 1.128 . . . . 1.0 110.328 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 31.2 p . . . . . 0 C--O 1.251 1.147 0 CA-C-O 117.021 -1.466 . . . . 1.0 110.047 179.928 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.07 0 N-CA-C 110.97 -0.852 . . . . 1.0 110.97 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 553' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -178.76 152.28 0.6 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 0.741 . . . . 1.0 110.0 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 554' ' ' HIS . . . . . . . . . . . . . 2.9 p-80 -175.87 110.66 0.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.55 1.156 . . . . 1.0 109.57 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 555' ' ' MET . . . . . 0.549 ' HG3' ' CZ ' ' A' ' 587' ' ' ARG . 0.0 OUTLIER -159.14 142.03 14.31 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.474 1.108 . . . . 1.0 110.989 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . -108.6 177.63 20.7 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.483 1.115 . . . . 1.0 110.974 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.83 48.93 0.79 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 0.776 . . . . 1.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 558' ' ' ASP . . . . . 0.426 ' O ' ' HG3' ' A' ' 585' ' ' PRO . 1.6 t70 -154.99 99.97 2.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.574 1.171 . . . . 1.0 109.216 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 559' ' ' CYS . . . . . . . . . . . . . 36.5 t -69.38 139.95 54.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.601 1.188 . . . . 1.0 108.297 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 560' ' ' ILE . . . . . 0.721 ' HB ' ' CD2' ' A' ' 583' ' ' LEU . 10.6 mt -85.75 -61.11 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.607 1.192 . . . . 1.0 109.242 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 561' ' ' MET . . . . . 0.452 ' SD ' ' CD1' ' A' ' 643' ' ' TRP . 0.0 OUTLIER -139.65 137.01 34.91 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.598 1.186 . . . . 1.0 110.989 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 562' ' ' HIS . . . . . 0.478 ' HB2' ' CE1' ' A' ' 582' ' ' TYR . 9.6 p-80 -140.65 162.03 36.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 1.0 109.551 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 563' ' ' GLY . . . . . 0.541 ' HA2' ' CZ ' ' A' ' 580' ' ' TYR . . . 146.97 -159.78 28.1 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.427 1.08 . . . . 1.0 111.104 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 564' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -85.3 126.51 33.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 0.779 . . . . 1.0 111.08 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 565' ' ' MET . . . . . 0.641 ' O ' ' O ' ' A' ' 579' ' ' ARG . 0.0 OUTLIER -140.88 122.12 14.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 1.0 111.025 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 566' ' ' SER . . . . . 0.437 ' HB2' ' HA ' ' A' ' 578' ' ' ARG . 0.9 OUTLIER -85.26 130.67 34.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 1.0 110.03 -179.949 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 567' ' ' LYS . . . . . 0.553 ' HE2' ' CZ ' ' A' ' 581' ' ' PHE . 7.3 ttpt -146.55 157.33 43.71 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 1.0 109.326 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 568' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 174.62 167.33 0.26 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 1.0 111.013 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 569' ' ' GLY . . . . . . . . . . . . . . . -178.34 123.1 0.85 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.482 1.114 . . . . 1.0 110.931 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 570' ' ' ASN . . . . . 0.579 ' CB ' ' CD ' ' A' ' 571' ' ' PRO . 0.0 OUTLIER -165.2 -178.06 0.71 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.511 0.771 . . . . 1.0 109.34 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 571' ' ' PRO . . . . . 0.579 ' CD ' ' CB ' ' A' ' 570' ' ' ASN . 18.2 Cg_endo -75.01 22.85 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.547 1.814 . . . . 1.0 111.053 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 572' ' ' PHE . . . . . 0.493 ' H ' ' C ' ' A' ' 570' ' ' ASN . 28.2 m-85 -143.92 85.11 1.8 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.607 1.192 . . . . 1.0 110.981 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -87.87 86.75 7.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 1.0 109.252 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 574' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -159.96 -21.95 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 1.0 110.353 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 575' ' ' GLN . . . . . 0.594 ' O ' ' CD1' ' A' ' 576' ' ' TRP . 14.8 pt20 -99.51 178.98 4.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 1.0 110.266 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 576' ' ' TRP . . . . . 0.594 ' CD1' ' O ' ' A' ' 575' ' ' GLN . 27.3 m0 -145.96 136.33 23.96 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.011 -1.107 . . . . 1.0 108.011 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.21 114.82 24.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.414 1.071 . . . . 1.0 110.334 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 578' ' ' ARG . . . . . 0.437 ' HA ' ' HB2' ' A' ' 566' ' ' SER . 0.0 OUTLIER -93.96 117.69 30.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 1.0 110.322 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 579' ' ' ARG . . . . . 0.641 ' O ' ' O ' ' A' ' 565' ' ' MET . 16.1 mtp180 -141.77 165.64 26.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.341 1.025 . . . . 1.0 110.255 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 580' ' ' TYR . . . . . 0.541 ' CZ ' ' HA2' ' A' ' 563' ' ' GLY . 1.0 OUTLIER -96.45 126.03 41.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.409 1.068 . . . . 1.0 111.035 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 581' ' ' PHE . . . . . 0.553 ' CZ ' ' HE2' ' A' ' 567' ' ' LYS . 10.8 m-85 -118.64 176.39 5.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.15 . . . . 1.0 110.985 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 582' ' ' TYR . . . . . 0.478 ' CE1' ' HB2' ' A' ' 562' ' ' HIS . 0.4 OUTLIER -150.56 107.89 3.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 1.0 111.039 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 583' ' ' LEU . . . . . 0.721 ' CD2' ' HB ' ' A' ' 560' ' ' ILE . 0.4 OUTLIER -87.88 113.7 23.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 1.0 109.282 -179.928 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 584' ' ' PHE . . . . . 0.672 ' CD2' ' HD2' ' A' ' 585' ' ' PRO . 0.1 OUTLIER -94.98 -177.02 0.61 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.425 1.078 . . . . 1.0 111.031 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 585' ' ' PRO . . . . . 0.672 ' HD2' ' CD2' ' A' ' 584' ' ' PHE . 18.2 Cg_endo -74.95 14.55 0.83 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.509 1.794 . . . . 1.0 111.077 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 586' ' ' ASN . . . . . 1.044 ' O ' ' HG3' ' A' ' 603' ' ' MET . 19.2 m-20 171.95 -44.97 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.442 1.089 . . . . 1.0 109.361 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 587' ' ' ARG . . . . . 0.63 ' O ' ' HB2' ' A' ' 584' ' ' PHE . 0.0 OUTLIER -93.41 -173.19 3.14 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.483 1.114 . . . . 1.0 110.295 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 588' ' ' LEU . . . . . 0.444 ' O ' ' HA ' ' A' ' 600' ' ' LEU . 0.1 OUTLIER -166.99 142.5 4.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 1.0 109.303 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 589' ' ' GLU . . . . . 0.433 ' N ' HD11 ' A' ' 588' ' ' LEU . 33.5 tt0 -124.23 133.67 53.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 1.0 110.329 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 590' ' ' TRP . . . . . 0.554 ' CE3' ' HB2' ' A' ' 598' ' ' GLN . 2.9 p-90 -80.75 147.27 30.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 1.0 108.028 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 591' ' ' ARG . . . . . 0.481 ' N ' ' O ' ' A' ' 580' ' ' TYR . 0.1 OUTLIER -144.73 154.69 43.01 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.523 1.139 . . . . 1.0 110.303 -179.894 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . 144.22 171.05 13.98 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.536 1.147 . . . . 1.0 110.973 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 593' ' ' GLU . . . . . 0.47 ' O ' ' NH2' ' A' ' 579' ' ' ARG . 0.6 OUTLIER -88.23 175.39 7.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.563 0.802 . . . . 1.0 110.336 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . 65.3 -122.47 23.39 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.493 1.12 . . . . 1.0 110.987 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 595' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -170.4 163.72 8.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.555 0.797 . . . . 1.0 110.303 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 596' ' ' ALA . . . . . 0.465 ' HB1' ' NH1' ' A' ' 579' ' ' ARG . . . -177.27 168.55 1.16 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.435 1.085 . . . . 1.0 109.303 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 597' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 82.49 1.99 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.536 1.808 . . . . 1.0 111.025 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 598' ' ' GLN . . . . . 0.554 ' HB2' ' CE3' ' A' ' 590' ' ' TRP . 4.8 mt-30 -145.51 164.61 31.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 1.0 110.281 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 599' ' ' SER . . . . . 0.529 ' O ' ' CD1' ' A' ' 590' ' ' TRP . 6.0 m -155.51 -146.38 0.18 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.48 1.112 . . . . 1.0 109.923 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 600' ' ' LEU . . . . . 0.444 ' HA ' ' O ' ' A' ' 588' ' ' LEU . 0.9 OUTLIER -130.84 80.67 1.96 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 1.0 109.268 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 4.1 mt -82.41 -171.13 3.29 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.128 . . . . 1.0 109.219 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 602' ' ' THR . . . . . 0.462 ' HA ' ' HA ' ' A' ' 587' ' ' ARG . 0.2 OUTLIER -117.89 -147.93 0.42 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 1.0 110.461 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 603' ' ' MET . . . . . 1.044 ' HG3' ' O ' ' A' ' 586' ' ' ASN . 0.0 OUTLIER -135.99 41.7 2.65 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.545 1.153 . . . . 1.0 110.999 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 604' ' ' GLU . . . . . 0.406 ' O ' ' HG3' ' A' ' 604' ' ' GLU . 14.2 pt-20 -124.8 55.84 1.33 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.542 1.151 . . . . 1.0 110.382 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 605' ' ' GLU . . . . . 0.466 ' HB2' ' CG2' ' A' ' 624' ' ' ILE . 3.2 pt-20 -158.22 -55.62 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 1.0 110.29 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 606' ' ' ILE . . . . . 0.847 ' CG2' ' CD2' ' A' ' 651' ' ' TYR . 1.3 mp -35.82 130.38 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.426 1.079 . . . . 1.0 109.309 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 607' ' ' GLN . . . . . 0.551 ' CG ' ' CB ' ' A' ' 625' ' ' ARG . 0.0 OUTLIER -87.64 -36.07 17.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 1.0 110.391 179.91 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 2.7 m -173.29 139.27 0.77 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.563 1.164 . . . . 1.0 110.023 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 609' ' ' VAL . . . . . 0.552 ' CG2' ' CD ' ' A' ' 644' ' ' LYS . 2.7 p -108.75 135.55 47.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.454 1.096 . . . . 1.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 610' ' ' GLU . . . . . 0.518 ' HG3' ' CD2' ' A' ' 621' ' ' LEU . 0.5 OUTLIER -152.54 -170.17 3.56 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.48 1.112 . . . . 1.0 110.301 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 611' ' ' GLU . . . . . 0.467 ' HA ' ' HA ' ' A' ' 620' ' ' LEU . 22.2 tt0 -141.01 144.67 35.15 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.498 1.123 . . . . 1.0 110.291 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 612' ' ' THR . . . . . 0.6 ' C ' ' HB3' ' A' ' 618' ' ' LYS . 0.0 OUTLIER -108.21 165.44 11.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 1.0 110.394 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 7.6 mp0 -128.32 160.22 32.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 1.0 110.323 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 614' ' ' ILE . . . . . 0.741 ' O ' ' CG2' ' A' ' 614' ' ' ILE . 0.1 OUTLIER -144.57 81.37 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.574 1.172 . . . . 1.0 109.24 -179.921 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 615' ' ' LYS . . . . . 0.447 ' HB2' ' O ' ' A' ' 614' ' ' ILE . 7.1 mmtt 80.76 -30.23 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 1.0 109.374 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 616' ' ' GLU . . . . . 0.453 ' H ' ' C ' ' A' ' 614' ' ' ILE . 1.0 OUTLIER -157.12 -48.83 0.07 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.502 1.126 . . . . 1.0 110.257 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 617' ' ' ARG . . . . . 0.446 ' NH2' ' OD1' ' A' ' 637' ' ' ASP . 0.0 OUTLIER -157.97 136.76 11.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.115 . . . . 1.0 110.335 179.945 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 618' ' ' LYS . . . . . 0.604 ' CG ' HD11 ' A' ' 614' ' ' ILE . 11.0 tptt -113.72 -98.96 0.43 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.577 1.173 . . . . 1.0 109.325 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 619' ' ' CYS . . . . . 0.506 ' SG ' ' O ' ' A' ' 618' ' ' LYS . 96.3 m -156.04 -176.78 6.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.443 1.089 . . . . 1.0 108.227 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 620' ' ' LEU . . . . . 0.578 ' CD1' ' CD1' ' A' ' 640' ' ' LEU . 0.3 OUTLIER -97.24 135.47 39.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.152 . . . . 1.0 109.306 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 621' ' ' LEU . . . . . 0.518 ' CD2' ' HG3' ' A' ' 610' ' ' GLU . 2.3 tp -93.98 160.17 14.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.408 1.067 . . . . 1.0 109.17 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 622' ' ' LEU . . . . . 0.512 HD22 ' OH ' ' A' ' 651' ' ' TYR . 0.0 OUTLIER -158.03 79.92 0.84 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.396 1.06 . . . . 1.0 109.277 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 623' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.82 138.07 37.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 1.0 109.212 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 624' ' ' ILE . . . . . 0.737 ' HA ' ' HA ' ' A' ' 606' ' ' ILE . 45.3 mt -104.22 144.17 14.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 1.0 109.312 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 625' ' ' ARG . . . . . 0.551 ' CB ' ' CG ' ' A' ' 607' ' ' GLN . 4.1 ptm180 -79.07 3.56 17.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 1.0 110.221 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 626' ' ' GLY . . . . . 0.427 ' H ' ' CG2' ' A' ' 624' ' ' ILE . . . -88.98 -19.54 50.55 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.457 1.098 . . . . 1.0 111.039 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 115.02 38.62 1.02 Allowed Glycine 0 CA--C 1.53 0.993 0 N-CA-C 111.024 -0.831 . . . . 1.0 111.024 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 628' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -142.94 170.9 14.83 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 0.772 . . . . 1.0 109.25 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -142.89 136.48 28.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 1.0 110.322 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 630' ' ' PHE . . . . . 0.448 ' O ' ' N ' ' A' ' 622' ' ' LEU . 0.4 OUTLIER -122.49 148.37 45.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.147 . . . . 1.0 110.992 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 631' ' ' ILE . . . . . 0.428 ' O ' ' CG2' ' A' ' 631' ' ' ILE . 0.0 OUTLIER -134.8 111.02 13.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 1.0 109.363 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 632' ' ' LEU . . . . . 0.608 ' N ' ' CD2' ' A' ' 632' ' ' LEU . 0.2 OUTLIER -121.41 157.96 29.37 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.495 1.122 . . . . 1.0 109.316 -179.945 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 633' ' ' GLN . . . . . 0.533 ' HG3' ' N ' ' A' ' 634' ' ' CYS . 25.3 tp60 -149.47 162.11 40.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 1.0 110.302 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 634' ' ' CYS . . . . . 0.533 ' N ' ' HG3' ' A' ' 633' ' ' GLN . 0.8 OUTLIER -143.04 144.34 32.24 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 1.0 108.316 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 635' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.49 -21.22 66.61 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.541 1.151 . . . . 1.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 636' ' ' SER . . . . . 0.519 ' HB2' ' CB ' ' A' ' 639' ' ' GLU . 4.1 m -89.62 160.09 16.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.091 . . . . 1.0 110.024 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 637' ' ' ASP . . . . . 0.626 ' N ' ' CD ' ' A' ' 638' ' ' PRO . 0.2 OUTLIER -89.54 -44.93 0.42 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 1.0 109.298 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 638' ' ' PRO . . . . . 0.626 ' CD ' ' N ' ' A' ' 637' ' ' ASP . 18.4 Cg_endo -74.98 -56.23 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.428 1.752 . . . . 1.0 111.022 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 639' ' ' GLU . . . . . 0.595 ' C ' ' O ' ' A' ' 638' ' ' PRO . 4.7 tt0 -20.7 -82.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.596 1.185 . . . . 1.0 110.342 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 640' ' ' LEU . . . . . 0.578 ' CD1' ' CD1' ' A' ' 620' ' ' LEU . 0.1 OUTLIER -49.74 -48.49 50.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.156 . . . . 1.0 109.275 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 641' ' ' VAL . . . . . 0.547 ' N ' ' O ' ' A' ' 638' ' ' PRO . 0.8 OUTLIER -45.19 -55.59 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 1.0 109.345 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 642' ' ' GLN . . . . . 0.474 ' N ' ' CG1' ' A' ' 641' ' ' VAL . 0.0 OUTLIER -63.79 -40.41 96.59 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.486 1.117 . . . . 1.0 110.282 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 643' ' ' TRP . . . . . 0.544 ' CZ3' ' CB ' ' A' ' 583' ' ' LEU . 34.8 m95 -55.76 -44.28 77.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 1.0 107.934 -179.858 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 644' ' ' LYS . . . . . 0.624 ' HA ' ' HB2' ' A' ' 647' ' ' LEU . 12.5 ttpt -61.28 -60.91 3.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.563 1.164 . . . . 1.0 109.355 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 645' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 644' ' ' LYS . 0.0 OUTLIER -38.38 -53.46 1.51 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 1.0 109.312 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 646' ' ' GLU . . . . . 0.557 ' CB ' HD12 ' A' ' 583' ' ' LEU . 0.4 OUTLIER -72.46 -30.53 64.64 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.426 1.079 . . . . 1.0 110.238 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 647' ' ' LEU . . . . . 0.624 ' HB2' ' HA ' ' A' ' 644' ' ' LYS . 11.4 mt -70.52 -60.16 2.42 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.459 1.099 . . . . 1.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 648' ' ' ARG . . . . . 0.569 ' N ' ' O ' ' A' ' 644' ' ' LYS . 11.1 ttm180 -40.81 -55.06 2.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 1.0 110.355 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 649' ' ' ASP . . . . . 0.415 ' OD1' ' CD ' ' A' ' 653' ' ' GLU . 33.7 t0 -57.71 -46.48 84.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.46 1.1 . . . . 1.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 650' ' ' ALA . . . . . 0.519 ' O ' ' SD ' ' A' ' 603' ' ' MET . . . -48.89 -50.36 35.36 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.512 1.133 . . . . 1.0 109.234 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 651' ' ' TYR . . . . . 0.847 ' CD2' ' CG2' ' A' ' 606' ' ' ILE . 2.7 m-30 -72.36 -37.21 68.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 1.0 110.954 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 652' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 655' ' ' GLN . 17.3 mtt180 -64.02 -64.99 0.74 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.417 1.073 . . . . 1.0 110.255 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 653' ' ' GLU . . . . . 0.529 ' O ' ' N ' ' A' ' 657' ' ' LEU . 0.1 OUTLIER -41.16 -55.45 2.63 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.456 1.098 . . . . 1.0 110.284 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 654' ' ' ALA . . . . . 0.489 ' HB1' ' O ' ' A' ' 603' ' ' MET . . . -47.82 -39.88 19.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 1.0 109.255 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 655' ' ' GLN . . . . . 0.479 ' O ' ' N ' ' A' ' 659' ' ' GLN . 91.2 mt-30 -70.36 -69.52 0.35 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.496 1.122 . . . . 1.0 110.249 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 656' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -52.81 -20.63 3.39 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.541 1.15 . . . . 1.0 110.301 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 657' ' ' LEU . . . . . 0.529 ' N ' ' O ' ' A' ' 653' ' ' GLU . 39.5 mt -88.14 -22.02 24.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 1.0 109.346 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 658' ' ' VAL . . . . . 0.476 ' N ' ' O ' ' A' ' 655' ' ' GLN . 0.6 OUTLIER -115.78 15.49 7.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.407 1.067 . . . . 1.0 109.384 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 659' ' ' GLN . . . . . 0.479 ' N ' ' O ' ' A' ' 655' ' ' GLN . 0.0 OUTLIER -75.43 -59.18 2.86 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.44 1.087 . . . . 1.0 110.322 179.949 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 660' ' ' ARG . . . . . . . . . . . . . 68.4 mtt180 -67.81 65.75 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 1.0 110.337 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 661' ' ' VAL . . . . . 0.437 ' N ' ' O ' ' A' ' 659' ' ' GLN . 68.0 t -71.51 127.64 90.88 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 1.0 109.358 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 662' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 661' ' ' VAL . 18.1 Cg_endo -75.0 111.46 3.33 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.501 1.79 . . . . 1.0 110.983 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 15.0 tttt -82.24 -61.63 1.85 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.158 . . . . 1.0 109.348 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 664' ' ' MET . . . . . . . . . . . . . 27.0 mmt -71.9 -9.74 58.77 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 1.0 110.977 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 665' ' ' LYS . . . . . 0.465 ' HD2' ' CG ' ' A' ' 668' ' ' PRO . 2.2 mmtm 67.73 83.09 0.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 1.0 109.238 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 666' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -90.93 62.86 5.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 1.0 109.316 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . 0.602 ' CB ' ' HD3' ' A' ' 668' ' ' PRO . 0.0 OUTLIER -158.0 -64.95 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.15 . . . . 1.0 109.262 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 668' ' ' PRO . . . . . 0.602 ' HD3' ' CB ' ' A' ' 667' ' ' LYS . 18.1 Cg_endo -74.99 41.41 0.74 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.503 1.791 . . . . 1.0 110.993 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . 0.444 ' H ' ' C ' ' A' ' 667' ' ' LYS . 0.6 OUTLIER -69.19 125.72 27.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 1.0 110.295 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 33.4 t . . . . . 0 C--O 1.25 1.105 0 CA-C-O 117.06 -1.447 . . . . 1.0 109.992 179.959 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 110.982 -0.847 . . . . 1.0 110.982 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 553' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.67 -58.56 1.82 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.416 0.715 . . . . 1.0 109.999 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 554' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -171.39 62.89 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 1.0 109.6 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 555' ' ' MET . . . . . . . . . . . . . 10.1 mtt -157.2 144.92 18.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 1.0 110.98 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . -101.77 -177.9 28.19 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.495 1.122 . . . . 1.0 111.001 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.95 71.04 1.39 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.472 0.748 . . . . 1.0 109.259 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 558' ' ' ASP . . . . . 0.494 ' O ' ' HD3' ' A' ' 585' ' ' PRO . 14.0 t0 -154.67 107.08 2.76 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.115 . . . . 1.0 109.281 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 559' ' ' CYS . . . . . 0.495 ' SG ' ' CD2' ' A' ' 582' ' ' TYR . 42.4 t -69.12 145.7 53.14 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.491 1.119 . . . . 1.0 108.245 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 560' ' ' ILE . . . . . 0.611 HD13 ' C ' ' A' ' 584' ' ' PHE . 10.7 mt -92.5 -58.03 3.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 1.0 109.309 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 561' ' ' MET . . . . . 0.55 ' CG ' ' OE1' ' A' ' 646' ' ' GLU . 0.0 OUTLIER -117.29 142.61 46.86 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.503 1.127 . . . . 1.0 110.992 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 562' ' ' HIS . . . . . . . . . . . . . 13.7 p-80 -146.02 163.13 36.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 1.0 109.581 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 563' ' ' GLY . . . . . 0.435 ' O ' ' CD1' ' A' ' 580' ' ' TYR . . . 128.7 -159.5 22.11 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.493 1.121 . . . . 1.0 110.981 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 564' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -91.34 127.69 36.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 0.792 . . . . 1.0 110.966 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 565' ' ' MET . . . . . 0.612 ' O ' ' O ' ' A' ' 579' ' ' ARG . 0.0 OUTLIER -143.29 125.86 15.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 1.0 111.083 179.939 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 566' ' ' SER . . . . . 0.54 ' OG ' ' O ' ' A' ' 633' ' ' GLN . 0.1 OUTLIER -100.3 142.99 31.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.123 . . . . 1.0 110.012 -179.944 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 567' ' ' LYS . . . . . 0.519 ' HG2' ' O ' ' A' ' 631' ' ' ILE . 0.6 OUTLIER -160.86 164.13 31.53 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.377 1.048 . . . . 1.0 109.242 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 568' ' ' MET . . . . . 0.504 ' N ' ' CD ' ' A' ' 567' ' ' LYS . 0.0 OUTLIER 174.11 172.0 0.2 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.437 1.086 . . . . 1.0 110.955 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 569' ' ' GLY . . . . . . . . . . . . . . . -175.09 133.06 2.33 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.496 1.123 . . . . 1.0 110.958 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 570' ' ' ASN . . . . . 0.541 ' CB ' ' CD ' ' A' ' 571' ' ' PRO . 1.2 m-20 -168.97 -179.67 0.72 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.565 0.803 . . . . 1.0 109.276 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 571' ' ' PRO . . . . . 0.561 ' O ' ' CD1' ' A' ' 572' ' ' PHE . 18.5 Cg_endo -74.87 4.71 4.43 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.412 1.743 . . . . 1.0 111.07 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 572' ' ' PHE . . . . . 0.561 ' CD1' ' O ' ' A' ' 571' ' ' PRO . 11.0 m-85 -152.43 78.2 1.21 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 1.0 111.063 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 2.8 tp -81.58 88.16 6.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 1.0 109.332 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 574' ' ' THR . . . . . 0.518 ' O ' ' CG2' ' A' ' 574' ' ' THR . 0.3 OUTLIER -136.95 10.02 3.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 1.0 110.385 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 575' ' ' GLN . . . . . 0.59 ' O ' ' CD1' ' A' ' 576' ' ' TRP . 28.7 pt20 -120.99 -179.25 3.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 1.0 110.296 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 576' ' ' TRP . . . . . 0.59 ' CD1' ' O ' ' A' ' 575' ' ' GLN . 12.6 m0 -156.51 125.69 6.08 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.514 1.134 . . . . 1.0 107.979 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 577' ' ' GLN . . . . . 0.423 ' O ' ' HB2' ' A' ' 566' ' ' SER . 19.0 pt20 -128.47 118.25 22.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 1.0 110.242 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 578' ' ' ARG . . . . . 0.503 ' HA ' ' HB2' ' A' ' 566' ' ' SER . 0.0 OUTLIER -85.3 120.44 26.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 1.0 110.341 179.916 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 579' ' ' ARG . . . . . 0.612 ' O ' ' O ' ' A' ' 565' ' ' MET . 0.7 OUTLIER -136.26 161.94 34.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.393 1.058 . . . . 1.0 110.35 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 580' ' ' TYR . . . . . 0.435 ' CD1' ' O ' ' A' ' 563' ' ' GLY . 0.3 OUTLIER -88.71 131.78 34.87 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.471 1.107 . . . . 1.0 111.065 179.94 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 581' ' ' PHE . . . . . 0.506 ' CG ' ' HB3' ' A' ' 590' ' ' TRP . 2.5 m-85 -124.09 160.09 28.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.425 1.078 . . . . 1.0 111.019 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 582' ' ' TYR . . . . . 0.495 ' CD2' ' SG ' ' A' ' 559' ' ' CYS . 0.1 OUTLIER -138.97 115.45 10.52 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.614 1.196 . . . . 1.0 110.993 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 583' ' ' LEU . . . . . 0.754 ' HB2' ' CZ3' ' A' ' 643' ' ' TRP . 7.9 tp -88.93 110.38 21.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 1.0 109.262 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 584' ' ' PHE . . . . . 0.616 ' HB2' ' C ' ' A' ' 587' ' ' ARG . 6.7 m-85 -96.43 171.7 5.93 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.439 1.087 . . . . 1.0 110.959 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 585' ' ' PRO . . . . . 0.494 ' HD3' ' O ' ' A' ' 558' ' ' ASP . 18.3 Cg_endo -75.02 7.32 2.92 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.509 1.794 . . . . 1.0 111.016 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 586' ' ' ASN . . . . . 0.713 ' HA ' ' CG ' ' A' ' 603' ' ' MET . 37.2 m-20 -174.29 -38.45 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 1.0 109.349 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 587' ' ' ARG . . . . . 0.644 ' HA ' ' HA ' ' A' ' 602' ' ' THR . 0.8 OUTLIER -91.07 -162.64 0.93 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 1.0 110.236 -179.942 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 588' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 171.45 112.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 1.0 109.321 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 589' ' ' GLU . . . . . 0.463 ' HG2' ' N ' ' A' ' 590' ' ' TRP . 30.5 tt0 -123.31 149.57 44.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 1.0 110.222 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 590' ' ' TRP . . . . . 0.506 ' HB3' ' CG ' ' A' ' 581' ' ' PHE . 0.4 OUTLIER -133.94 147.46 51.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 1.0 108.037 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.78 176.54 7.19 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 1.0 110.269 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . 168.69 -123.26 1.08 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.492 1.12 . . . . 1.0 111.097 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -61.24 175.47 0.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 0.769 . . . . 1.0 110.289 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . -111.17 -170.28 19.11 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.455 1.097 . . . . 1.0 111.042 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 595' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 62.94 15.53 8.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.441 0.73 . . . . 1.0 110.312 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . -123.21 159.47 54.33 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.483 1.114 . . . . 1.0 109.302 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 597' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 179.75 5.77 Favored 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.471 1.774 . . . . 1.0 111.063 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 598' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -87.55 154.1 20.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 1.0 110.277 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 599' ' ' SER . . . . . 0.41 ' CB ' ' CE2' ' A' ' 590' ' ' TRP . 16.4 m -136.61 98.4 3.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 1.0 109.996 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 8.7 tt -134.61 102.58 5.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.437 1.085 . . . . 1.0 109.31 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -107.16 -172.89 2.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.592 1.182 . . . . 1.0 109.239 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 602' ' ' THR . . . . . 0.644 ' HA ' ' HA ' ' A' ' 587' ' ' ARG . 0.0 OUTLIER -116.28 -166.33 1.14 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.416 1.072 . . . . 1.0 110.444 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 603' ' ' MET . . . . . 0.713 ' CG ' ' HA ' ' A' ' 586' ' ' ASN . 0.1 OUTLIER -127.0 38.54 4.08 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.543 1.152 . . . . 1.0 111.043 -179.934 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 604' ' ' GLU . . . . . 0.449 ' HA ' ' HB2' ' A' ' 654' ' ' ALA . 9.7 pt-20 -126.72 59.56 1.37 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.425 1.078 . . . . 1.0 110.348 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 605' ' ' GLU . . . . . 0.477 ' O ' ' C ' ' A' ' 606' ' ' ILE . 3.5 pt-20 -159.01 -57.17 0.07 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.144 . . . . 1.0 110.306 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 606' ' ' ILE . . . . . 0.994 ' CG2' ' CD2' ' A' ' 651' ' ' TYR . 1.2 mp -34.58 136.49 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 1.0 109.317 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 607' ' ' GLN . . . . . 0.519 ' HG3' ' HA ' ' A' ' 625' ' ' ARG . 0.0 OUTLIER -88.84 -37.94 14.98 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.57 1.169 . . . . 1.0 110.296 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 1.9 m -175.1 134.81 0.34 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 1.0 110.063 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 609' ' ' VAL . . . . . 0.525 ' CG2' ' HD3' ' A' ' 644' ' ' LYS . 3.9 p -107.6 141.68 22.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.097 . . . . 1.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 610' ' ' GLU . . . . . 0.5 ' HG3' ' CD2' ' A' ' 621' ' ' LEU . 0.3 OUTLIER -157.77 -167.29 2.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 1.0 110.297 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 611' ' ' GLU . . . . . 0.62 ' HA ' ' HA ' ' A' ' 620' ' ' LEU . 28.6 tt0 -138.28 147.12 43.28 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.489 1.118 . . . . 1.0 110.294 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 612' ' ' THR . . . . . 0.497 ' C ' ' HB3' ' A' ' 618' ' ' LYS . 0.0 OUTLIER -112.27 163.09 14.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.415 1.072 . . . . 1.0 110.419 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 5.9 mp0 -127.42 163.79 23.27 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 1.0 110.322 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 614' ' ' ILE . . . . . 0.697 ' O ' ' CG2' ' A' ' 614' ' ' ILE . 0.2 OUTLIER -147.53 82.97 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 1.0 109.325 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 615' ' ' LYS . . . . . 0.427 ' HB2' ' O ' ' A' ' 614' ' ' ILE . 13.7 mttt 81.32 -31.36 0.11 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.437 1.086 . . . . 1.0 109.297 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 616' ' ' GLU . . . . . 0.454 ' H ' ' C ' ' A' ' 614' ' ' ILE . 0.7 OUTLIER -156.86 -49.6 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 1.0 110.366 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 37.7 ttm-85 -157.83 138.15 12.68 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.588 1.18 . . . . 1.0 110.387 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 618' ' ' LYS . . . . . 0.497 ' HB3' ' C ' ' A' ' 612' ' ' THR . 0.0 OUTLIER -117.49 -98.64 0.45 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 1.0 109.299 -179.948 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 619' ' ' CYS . . . . . 0.484 ' O ' ' CG ' ' A' ' 611' ' ' GLU . 1.6 m -157.12 -170.22 3.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 1.0 108.198 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 620' ' ' LEU . . . . . 0.62 ' HA ' ' HA ' ' A' ' 611' ' ' GLU . 0.1 OUTLIER -99.67 154.47 18.27 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.521 1.138 . . . . 1.0 109.359 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 621' ' ' LEU . . . . . 0.5 ' CD2' ' HG3' ' A' ' 610' ' ' GLU . 0.6 OUTLIER -112.26 159.08 18.97 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.498 1.124 . . . . 1.0 109.357 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 622' ' ' LEU . . . . . 0.597 ' CD2' ' HE2' ' A' ' 651' ' ' TYR . 6.6 mt -153.83 87.25 1.21 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.561 1.163 . . . . 1.0 109.366 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 623' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.26 135.07 33.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 1.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 624' ' ' ILE . . . . . 0.736 ' HA ' ' HA ' ' A' ' 606' ' ' ILE . 65.2 mt -103.24 143.88 14.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.097 . . . . 1.0 109.272 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 625' ' ' ARG . . . . . 0.519 ' HA ' ' HG3' ' A' ' 607' ' ' GLN . 0.0 OUTLIER -78.89 3.45 16.92 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.5 1.125 . . . . 1.0 110.317 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 626' ' ' GLY . . . . . 0.401 ' H ' ' CG2' ' A' ' 624' ' ' ILE . . . -91.55 -27.58 17.07 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.563 1.164 . . . . 1.0 110.957 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 123.24 46.5 0.27 Allowed Glycine 0 CA--C 1.529 0.94 0 N-CA-C 111.003 -0.839 . . . . 1.0 111.003 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 628' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.64 169.57 18.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 0.755 . . . . 1.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 11.5 mp0 -145.34 142.83 29.75 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.532 1.145 . . . . 1.0 110.319 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 630' ' ' PHE . . . . . 0.504 ' CG ' ' HE2' ' A' ' 567' ' ' LYS . 0.8 OUTLIER -131.74 164.31 26.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 1.0 111.044 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 631' ' ' ILE . . . . . 0.519 ' O ' ' HG2' ' A' ' 567' ' ' LYS . 0.3 OUTLIER -143.74 111.05 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 1.0 109.32 -179.926 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 632' ' ' LEU . . . . . 0.54 HD12 ' CD1' ' A' ' 622' ' ' LEU . 0.7 OUTLIER -85.81 163.14 18.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.565 1.166 . . . . 1.0 109.256 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 633' ' ' GLN . . . . . 0.54 ' O ' ' OG ' ' A' ' 566' ' ' SER . 2.5 tm0? -156.31 120.6 4.49 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.451 1.094 . . . . 1.0 110.344 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 634' ' ' CYS . . . . . 0.451 ' SG ' ' HB2' ' A' ' 640' ' ' LEU . 2.7 p -127.0 154.18 44.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 1.0 108.283 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 635' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.72 -10.46 53.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 1.0 109.356 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 636' ' ' SER . . . . . 0.541 ' HB2' ' HB2' ' A' ' 639' ' ' GLU . 17.1 m -96.32 -174.56 3.1 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.546 1.154 . . . . 1.0 110.036 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 637' ' ' ASP . . . . . 0.716 ' H ' ' HD2' ' A' ' 638' ' ' PRO . 0.4 OUTLIER -110.76 -49.61 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.16 . . . . 1.0 109.341 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 638' ' ' PRO . . . . . 0.716 ' HD2' ' H ' ' A' ' 637' ' ' ASP . 18.3 Cg_endo -74.98 -50.34 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.557 1.819 . . . . 1.0 111.009 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 639' ' ' GLU . . . . . 0.58 ' C ' ' O ' ' A' ' 638' ' ' PRO . 38.6 mm-40 -21.93 -81.09 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.576 1.172 . . . . 1.0 110.332 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 640' ' ' LEU . . . . . 0.565 ' CD1' HD12 ' A' ' 620' ' ' LEU . 0.1 OUTLIER -52.89 -47.86 67.6 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 1.0 109.269 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 641' ' ' VAL . . . . . 0.505 ' N ' ' O ' ' A' ' 638' ' ' PRO . 0.5 OUTLIER -43.98 -55.53 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.592 1.182 . . . . 1.0 109.347 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 642' ' ' GLN . . . . . 0.503 ' N ' ' CG1' ' A' ' 641' ' ' VAL . 0.0 OUTLIER -65.72 -39.57 91.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.602 1.189 . . . . 1.0 110.293 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 643' ' ' TRP . . . . . 0.754 ' CZ3' ' HB2' ' A' ' 583' ' ' LEU . 22.6 m95 -56.03 -43.14 77.53 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.968 -1.123 . . . . 1.0 107.968 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 644' ' ' LYS . . . . . 0.561 ' HA ' ' HB2' ' A' ' 647' ' ' LEU . 0.1 OUTLIER -62.8 -61.03 2.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 1.0 109.315 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 645' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 644' ' ' LYS . 7.4 tmtt? -38.17 -51.13 1.44 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.426 1.079 . . . . 1.0 109.337 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 646' ' ' GLU . . . . . 0.55 ' OE1' ' CG ' ' A' ' 561' ' ' MET . 22.3 mt-10 -73.05 -34.21 66.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 1.0 110.342 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 647' ' ' LEU . . . . . 0.561 ' HB2' ' HA ' ' A' ' 644' ' ' LYS . 0.5 OUTLIER -67.54 -60.39 2.6 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.553 1.158 . . . . 1.0 109.337 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 648' ' ' ARG . . . . . 0.533 ' N ' ' O ' ' A' ' 644' ' ' LYS . 0.3 OUTLIER -40.83 -55.13 2.53 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.539 1.15 . . . . 1.0 110.277 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 649' ' ' ASP . . . . . 0.423 ' O ' ' N ' ' A' ' 653' ' ' GLU . 37.5 t0 -63.13 -46.55 86.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 1.0 109.354 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 650' ' ' ALA . . . . . 0.418 ' HB1' ' O ' ' A' ' 647' ' ' LEU . . . -47.6 -46.71 28.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.086 . . . . 1.0 109.204 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 651' ' ' TYR . . . . . 0.994 ' CD2' ' CG2' ' A' ' 606' ' ' ILE . 21.5 m-30 -75.61 -41.73 53.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.122 . . . . 1.0 111.037 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 652' ' ' ARG . . . . . 0.518 ' O ' ' HB2' ' A' ' 655' ' ' GLN . 0.2 OUTLIER -61.13 -62.13 2.06 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.545 1.153 . . . . 1.0 110.285 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 653' ' ' GLU . . . . . 0.544 ' O ' ' HB2' ' A' ' 657' ' ' LEU . 2.3 mt-10 -45.42 -56.81 4.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.614 1.196 . . . . 1.0 110.217 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 654' ' ' ALA . . . . . 0.495 ' HB1' ' O ' ' A' ' 603' ' ' MET . . . -46.17 -35.35 5.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.572 1.17 . . . . 1.0 109.315 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 655' ' ' GLN . . . . . 0.518 ' HB2' ' O ' ' A' ' 652' ' ' ARG . 57.6 mt-30 -74.76 -67.5 0.63 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.501 1.125 . . . . 1.0 110.267 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 656' ' ' GLN . . . . . 0.534 ' CG ' ' HA ' ' A' ' 653' ' ' GLU . 2.4 pt20 -52.17 -20.05 2.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 1.0 110.257 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 657' ' ' LEU . . . . . 0.544 ' HB2' ' O ' ' A' ' 653' ' ' GLU . 10.8 mp -86.94 -25.95 24.11 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.503 1.127 . . . . 1.0 109.272 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 658' ' ' VAL . . . . . 0.466 ' N ' ' O ' ' A' ' 655' ' ' GLN . 4.0 p -110.16 13.45 8.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 1.0 109.372 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 659' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 655' ' ' GLN . 0.2 OUTLIER -65.63 -58.37 5.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.571 1.169 . . . . 1.0 110.286 -179.922 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 660' ' ' ARG . . . . . . . . . . . . . 1.7 ttt-85 -72.62 65.82 0.69 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.631 1.207 . . . . 1.0 110.314 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 661' ' ' VAL . . . . . 0.462 ' CG1' HG21 ' A' ' 658' ' ' VAL . 0.1 OUTLIER -85.1 163.45 45.59 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 1.0 109.269 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 662' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -174.83 2.08 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.566 1.824 . . . . 1.0 111.031 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.66 124.89 23.09 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.479 1.112 . . . . 1.0 109.266 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 664' ' ' MET . . . . . 0.425 ' HA ' ' CE ' ' A' ' 664' ' ' MET . 0.0 OUTLIER 66.46 114.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 1.0 110.941 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 665' ' ' LYS . . . . . 0.478 ' O ' ' CB ' ' A' ' 666' ' ' ASN . 5.7 pttt -93.57 88.01 5.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 1.0 109.26 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 666' ' ' ASN . . . . . 0.478 ' CB ' ' O ' ' A' ' 665' ' ' LYS . 34.2 t30 80.25 -49.52 0.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 1.0 109.348 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.56 143.5 0.6 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 1.0 109.423 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 668' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -38.94 1.37 Allowed 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.53 1.805 . . . . 1.0 110.967 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 6.9 ttt-85 177.27 162.12 0.48 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 1.0 110.302 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.085 0 CA-C-O 117.074 -1.441 . . . . 1.0 110.006 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.048 0 N-CA-C 110.948 -0.861 . . . . 1.0 110.948 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 553' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -172.29 161.12 5.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.589 0.817 . . . . 1.0 110.046 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 554' ' ' HIS . . . . . . . . . . . . . 12.5 m170 -118.45 137.06 53.42 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.55 1.156 . . . . 1.0 109.656 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 555' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -125.44 105.29 8.95 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.454 1.096 . . . . 1.0 110.962 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . 58.31 -152.01 30.42 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.388 1.055 . . . . 1.0 110.977 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 75.8 tttt -122.94 -105.11 0.37 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 0.784 . . . . 1.0 109.269 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 558' ' ' ASP . . . . . 0.647 ' O ' ' CE2' ' A' ' 584' ' ' PHE . 0.3 OUTLIER -151.09 22.3 0.76 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.559 1.162 . . . . 1.0 109.346 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 559' ' ' CYS . . . . . 0.516 ' HA ' ' HD3' ' A' ' 585' ' ' PRO . 2.0 t -169.52 131.13 1.12 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.455 1.097 . . . . 1.0 108.238 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 560' ' ' ILE . . . . . 0.726 HG23 ' CG ' ' A' ' 646' ' ' GLU . 6.4 mt -100.51 -55.93 5.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.599 1.187 . . . . 1.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 561' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -150.51 150.6 31.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 1.0 111.026 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 562' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -150.9 156.87 42.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.115 . . . . 1.0 109.632 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 563' ' ' GLY . . . . . . . . . . . . . . . 165.34 -167.35 38.83 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.564 1.165 . . . . 1.0 111.017 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 564' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -98.26 121.39 40.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 0.785 . . . . 1.0 110.953 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 565' ' ' MET . . . . . 0.599 ' HA ' ' SG ' ' A' ' 634' ' ' CYS . 3.2 mtm -125.05 -156.15 0.71 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 1.0 110.979 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -154.35 133.35 12.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 1.0 110.044 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 567' ' ' LYS . . . . . 0.473 ' HE2' ' CD1' ' A' ' 630' ' ' PHE . 6.7 ttmt -132.57 148.37 52.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.421 1.076 . . . . 1.0 109.246 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 568' ' ' MET . . . . . 0.457 ' N ' ' HG2' ' A' ' 567' ' ' LYS . 0.0 OUTLIER -164.41 168.93 17.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 1.0 111.022 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 569' ' ' GLY . . . . . 0.416 ' C ' ' CG ' ' A' ' 570' ' ' ASN . . . 160.83 114.11 0.33 Allowed Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.444 1.09 . . . . 1.0 111.063 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 570' ' ' ASN . . . . . 0.585 ' CB ' ' CD ' ' A' ' 571' ' ' PRO . 0.0 OUTLIER -165.73 -177.01 0.56 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.485 0.756 . . . . 1.0 109.334 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 571' ' ' PRO . . . . . 0.585 ' CD ' ' CB ' ' A' ' 570' ' ' ASN . 18.1 Cg_endo -75.05 6.68 3.27 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.468 1.773 . . . . 1.0 110.966 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 572' ' ' PHE . . . . . 0.564 ' CE2' ' HG2' ' A' ' 571' ' ' PRO . 11.9 m-85 -138.19 85.79 2.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 1.0 110.967 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.09 79.83 9.38 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.486 1.116 . . . . 1.0 109.26 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 574' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -147.52 2.28 0.73 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.565 1.166 . . . . 1.0 110.431 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 575' ' ' GLN . . . . . 0.586 ' O ' ' CD1' ' A' ' 576' ' ' TRP . 26.5 pt20 -126.56 168.32 14.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 1.0 110.291 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 576' ' ' TRP . . . . . 0.586 ' CD1' ' O ' ' A' ' 575' ' ' GLN . 1.9 m-90 -145.77 124.42 12.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 1.0 108.09 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 577' ' ' GLN . . . . . 0.467 ' NE2' HH22 ' A' ' 579' ' ' ARG . 5.7 mt-30 -107.76 120.19 41.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 1.0 110.346 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 578' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.76 109.41 20.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 1.0 110.328 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 579' ' ' ARG . . . . . 0.472 ' O ' ' O ' ' A' ' 565' ' ' MET . 1.7 mtt-85 -126.52 165.1 19.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 1.0 110.283 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 580' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -87.86 125.86 34.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 1.0 111.034 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 581' ' ' PHE . . . . . 0.596 ' CE1' ' CB ' ' A' ' 590' ' ' TRP . 0.2 OUTLIER -113.12 160.3 18.35 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.454 1.096 . . . . 1.0 111.045 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 582' ' ' TYR . . . . . 0.512 ' O ' ' HA ' ' A' ' 588' ' ' LEU . 1.7 m-85 -146.74 107.6 4.15 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.564 1.165 . . . . 1.0 110.905 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 583' ' ' LEU . . . . . 0.717 HD12 ' HB2' ' A' ' 646' ' ' GLU . 0.7 OUTLIER -89.99 112.06 23.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.532 1.145 . . . . 1.0 109.341 179.874 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 584' ' ' PHE . . . . . 0.647 ' CE2' ' O ' ' A' ' 558' ' ' ASP . 0.8 OUTLIER -101.59 176.0 2.07 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 1.0 110.971 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 585' ' ' PRO . . . . . 0.516 ' HD3' ' HA ' ' A' ' 559' ' ' CYS . 18.3 Cg_endo -74.93 3.09 5.88 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.508 1.794 . . . . 1.0 111.031 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 586' ' ' ASN . . . . . 0.647 ' HA ' ' CG ' ' A' ' 603' ' ' MET . 56.8 m-80 -168.96 -42.2 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.443 1.089 . . . . 1.0 109.239 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 587' ' ' ARG . . . . . 0.489 ' O ' ' CB ' ' A' ' 588' ' ' LEU . 1.3 mtp85 -88.39 -171.67 3.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 1.0 110.26 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 588' ' ' LEU . . . . . 0.512 ' HA ' ' O ' ' A' ' 582' ' ' TYR . 0.1 OUTLIER 165.04 133.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 1.0 109.219 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 589' ' ' GLU . . . . . 0.476 ' N ' ' CD1' ' A' ' 588' ' ' LEU . 6.6 pt-20 -131.98 169.52 16.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 1.0 110.327 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 590' ' ' TRP . . . . . 0.596 ' CB ' ' CE1' ' A' ' 581' ' ' PHE . 17.3 p-90 -153.13 93.71 1.76 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 1.0 108.013 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 9.3 mmt180 -152.81 -93.0 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.563 1.164 . . . . 1.0 110.326 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . -175.62 -178.84 45.76 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.406 1.066 . . . . 1.0 111.008 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 593' ' ' GLU . . . . . 0.422 ' O ' ' CD ' ' A' ' 593' ' ' GLU . 0.0 OUTLIER -89.73 158.13 17.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 0.785 . . . . 1.0 110.269 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . 75.26 142.44 0.94 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.428 1.08 . . . . 1.0 111.009 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 595' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 77.47 176.65 0.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 0.742 . . . . 1.0 110.252 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . -84.23 156.6 63.05 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.094 . . . . 1.0 109.281 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 597' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 171.97 17.28 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.557 1.82 . . . . 1.0 111.022 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 598' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -144.09 -53.27 0.33 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 1.0 110.279 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 599' ' ' SER . . . . . . . . . . . . . 2.8 m -105.29 90.92 3.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 1.0 110.022 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 1.2 pp -136.61 138.58 41.33 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.538 1.149 . . . . 1.0 109.346 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 1.6 mp -140.56 -167.59 2.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.577 1.173 . . . . 1.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 602' ' ' THR . . . . . 0.472 ' HA ' ' HA ' ' A' ' 587' ' ' ARG . 0.0 OUTLIER -118.23 -169.71 1.75 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 1.0 110.387 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 603' ' ' MET . . . . . 0.647 ' CG ' ' HA ' ' A' ' 586' ' ' ASN . 0.3 OUTLIER -113.96 39.74 2.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 1.0 110.984 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 604' ' ' GLU . . . . . 0.4 ' HA ' ' HB2' ' A' ' 654' ' ' ALA . 12.5 pt-20 -124.95 54.52 1.41 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.402 1.064 . . . . 1.0 110.323 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 605' ' ' GLU . . . . . 0.486 ' O ' ' C ' ' A' ' 606' ' ' ILE . 2.9 pt-20 -157.93 -50.47 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 1.0 110.308 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 606' ' ' ILE . . . . . 0.936 ' CG2' ' CD2' ' A' ' 651' ' ' TYR . 0.9 OUTLIER -33.49 133.69 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.558 1.161 . . . . 1.0 109.372 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 607' ' ' GLN . . . . . 0.632 ' HG2' ' CB ' ' A' ' 625' ' ' ARG . 0.5 OUTLIER -90.69 -37.7 13.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 1.0 110.312 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 4.7 m -172.45 128.07 0.54 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.437 1.085 . . . . 1.0 109.977 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 609' ' ' VAL . . . . . 0.608 HG21 ' CD ' ' A' ' 644' ' ' LYS . 7.6 p -93.71 130.53 42.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 1.0 109.326 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 610' ' ' GLU . . . . . 0.572 ' CA ' ' HZ3' ' A' ' 644' ' ' LYS . 0.9 OUTLIER -150.45 -176.14 5.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 1.0 110.261 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 611' ' ' GLU . . . . . 0.481 ' HA ' ' HA ' ' A' ' 620' ' ' LEU . 14.5 tt0 -143.2 133.95 25.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 1.0 110.356 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 612' ' ' THR . . . . . 0.524 ' C ' ' HB3' ' A' ' 618' ' ' LYS . 0.0 OUTLIER -90.16 161.61 15.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.564 1.165 . . . . 1.0 110.35 -179.937 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 8.0 mp0 -128.36 155.35 44.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 1.0 110.324 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 614' ' ' ILE . . . . . 0.668 ' O ' ' CG2' ' A' ' 614' ' ' ILE . 0.2 OUTLIER -142.51 83.59 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.559 1.162 . . . . 1.0 109.331 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 615' ' ' LYS . . . . . 0.429 ' HB2' ' O ' ' A' ' 614' ' ' ILE . 9.8 mmtt 83.24 -32.45 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 1.0 109.263 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 616' ' ' GLU . . . . . 0.425 ' H ' ' C ' ' A' ' 614' ' ' ILE . 1.0 OUTLIER -156.97 -50.25 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 1.0 110.358 -179.929 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 1.8 ttt85 -157.71 138.43 13.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.564 1.165 . . . . 1.0 110.245 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 618' ' ' LYS . . . . . 0.524 ' HB3' ' C ' ' A' ' 612' ' ' THR . 7.5 tptt -115.24 -95.69 0.46 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.4 1.063 . . . . 1.0 109.347 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 619' ' ' CYS . . . . . 0.457 ' SG ' ' O ' ' A' ' 618' ' ' LYS . 85.9 m -154.01 173.66 15.7 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.496 1.122 . . . . 1.0 108.268 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 620' ' ' LEU . . . . . 0.575 ' CD1' ' CD1' ' A' ' 640' ' ' LEU . 0.3 OUTLIER -93.11 132.1 37.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 1.0 109.266 -179.952 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 621' ' ' LEU . . . . . 0.543 ' N ' ' O ' ' A' ' 610' ' ' GLU . 1.3 tp -95.61 161.39 14.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 1.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 622' ' ' LEU . . . . . 0.768 HD22 ' CE2' ' A' ' 651' ' ' TYR . 0.0 OUTLIER -148.23 75.68 1.34 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 1.0 109.302 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 623' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.15 141.62 57.32 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.533 1.146 . . . . 1.0 109.315 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 624' ' ' ILE . . . . . 0.649 ' HA ' ' HA ' ' A' ' 606' ' ' ILE . 11.6 mt -113.7 148.2 16.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.107 . . . . 1.0 109.313 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 625' ' ' ARG . . . . . 0.632 ' CB ' ' HG2' ' A' ' 607' ' ' GLN . 9.1 ptp180 -77.68 3.57 13.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.574 1.171 . . . . 1.0 110.376 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 626' ' ' GLY . . . . . . . . . . . . . . . -95.92 -5.45 59.74 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.521 1.138 . . . . 1.0 111.02 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 93.51 35.69 6.13 Favored Glycine 0 CA--C 1.531 1.046 0 N-CA-C 110.987 -0.845 . . . . 1.0 110.987 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 628' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.42 121.6 16.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 0.789 . . . . 1.0 109.324 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 15.7 mp0 -98.96 144.98 27.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 1.0 110.355 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 630' ' ' PHE . . . . . 0.473 ' CD1' ' HE2' ' A' ' 567' ' ' LYS . 0.8 OUTLIER -127.62 144.5 51.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 1.0 110.989 -179.887 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 631' ' ' ILE . . . . . 0.534 ' CG2' ' O ' ' A' ' 631' ' ' ILE . 0.3 OUTLIER -128.96 107.27 15.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.347 1.03 . . . . 1.0 109.292 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 632' ' ' LEU . . . . . 0.486 ' N ' ' CD2' ' A' ' 632' ' ' LEU . 0.4 OUTLIER -121.76 166.75 13.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 1.0 109.267 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 633' ' ' GLN . . . . . 0.452 ' HG3' ' SG ' ' A' ' 619' ' ' CYS . 2.2 tm0? -151.09 -178.48 6.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.427 1.079 . . . . 1.0 110.351 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 634' ' ' CYS . . . . . 0.599 ' SG ' ' HA ' ' A' ' 565' ' ' MET . 0.5 OUTLIER -154.39 163.54 40.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 1.0 108.365 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 635' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -85.13 -23.04 28.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 1.0 109.312 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 636' ' ' SER . . . . . 0.504 ' CB ' ' HG3' ' A' ' 639' ' ' GLU . 0.5 OUTLIER -91.33 150.08 21.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.438 1.086 . . . . 1.0 110.037 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 637' ' ' ASP . . . . . 0.595 ' N ' ' CD ' ' A' ' 638' ' ' PRO . 0.7 OUTLIER -81.08 -47.0 1.14 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 1.0 109.282 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 638' ' ' PRO . . . . . 0.595 ' CD ' ' N ' ' A' ' 637' ' ' ASP . 18.1 Cg_endo -74.96 -51.99 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.522 1.801 . . . . 1.0 111.053 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 639' ' ' GLU . . . . . 0.558 ' C ' ' O ' ' A' ' 638' ' ' PRO . 20.5 mt-10 -25.89 -82.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.565 1.166 . . . . 1.0 110.325 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 640' ' ' LEU . . . . . 0.575 ' CD1' ' CD1' ' A' ' 620' ' ' LEU . 0.2 OUTLIER -46.39 -47.58 18.76 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.466 1.104 . . . . 1.0 109.324 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 641' ' ' VAL . . . . . 0.472 ' CG1' ' N ' ' A' ' 642' ' ' GLN . 0.7 OUTLIER -46.67 -54.62 2.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 1.0 109.279 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 642' ' ' GLN . . . . . 0.472 ' N ' ' CG1' ' A' ' 641' ' ' VAL . 0.0 OUTLIER -64.34 -39.19 93.4 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.545 1.153 . . . . 1.0 110.273 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 643' ' ' TRP . . . . . 0.622 ' CZ3' ' CB ' ' A' ' 583' ' ' LEU . 24.2 m95 -55.04 -45.87 75.26 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.002 -1.11 . . . . 1.0 108.002 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 644' ' ' LYS . . . . . 0.608 ' CD ' HG21 ' A' ' 609' ' ' VAL . 0.1 OUTLIER -55.27 -58.35 8.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.625 1.203 . . . . 1.0 109.427 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 645' ' ' LYS . . . . . 0.401 ' HB3' ' OE1' ' A' ' 646' ' ' GLU . 2.5 tmtm? -41.42 -54.68 3.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.438 1.087 . . . . 1.0 109.236 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 646' ' ' GLU . . . . . 0.726 ' CG ' HG23 ' A' ' 560' ' ' ILE . 0.8 OUTLIER -66.8 -33.6 75.98 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.456 1.098 . . . . 1.0 110.318 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 647' ' ' LEU . . . . . 0.609 HD21 ' CE1' ' A' ' 651' ' ' TYR . 23.2 mt -65.03 -62.35 1.6 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 1.0 109.276 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 648' ' ' ARG . . . . . 0.46 ' HG3' ' CG1' ' A' ' 609' ' ' VAL . 2.6 ttp180 -38.55 -59.77 0.88 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 1.0 110.289 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 649' ' ' ASP . . . . . 0.456 ' O ' ' N ' ' A' ' 653' ' ' GLU . 42.4 t0 -57.3 -44.53 84.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 1.0 109.332 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 650' ' ' ALA . . . . . 0.638 ' CB ' ' SD ' ' A' ' 603' ' ' MET . . . -51.77 -54.11 32.23 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.126 . . . . 1.0 109.207 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 651' ' ' TYR . . . . . 0.936 ' CD2' ' CG2' ' A' ' 606' ' ' ILE . 4.1 m-30 -67.09 -23.03 65.81 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.468 1.105 . . . . 1.0 110.976 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 652' ' ' ARG . . . . . 0.561 ' O ' ' HG2' ' A' ' 655' ' ' GLN . 15.2 mtp-105 -82.28 -71.5 0.48 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.46 1.1 . . . . 1.0 110.339 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 653' ' ' GLU . . . . . 0.462 ' O ' ' HG ' ' A' ' 657' ' ' LEU . 0.1 OUTLIER -37.22 -31.59 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.553 1.158 . . . . 1.0 110.27 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 654' ' ' ALA . . . . . 0.492 ' HA ' ' CD1' ' A' ' 657' ' ' LEU . . . -77.36 -51.77 10.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.11 . . . . 1.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 655' ' ' GLN . . . . . 0.561 ' HG2' ' O ' ' A' ' 652' ' ' ARG . 1.5 pt20 -51.62 -36.23 45.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 1.0 110.297 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 656' ' ' GLN . . . . . 0.485 ' N ' ' HG3' ' A' ' 655' ' ' GLN . 1.2 tp60 -65.62 -14.31 60.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 1.0 110.28 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 657' ' ' LEU . . . . . 0.492 ' CD1' ' HA ' ' A' ' 654' ' ' ALA . 7.3 mt -86.3 -34.83 20.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 1.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 658' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -110.84 17.58 7.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.568 1.167 . . . . 1.0 109.324 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 659' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' A' ' 655' ' ' GLN . 0.0 OUTLIER -64.39 -59.3 4.52 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.533 1.146 . . . . 1.0 110.246 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 660' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -67.92 65.66 0.09 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.569 1.168 . . . . 1.0 110.286 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 661' ' ' VAL . . . . . 0.405 ' N ' ' O ' ' A' ' 659' ' ' GLN . 12.6 p -125.28 107.15 27.51 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 1.0 109.31 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 662' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 -178.92 4.48 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.508 1.794 . . . . 1.0 110.964 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 1.8 ttpm? -80.16 -65.24 1.03 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.528 1.142 . . . . 1.0 109.317 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 664' ' ' MET . . . . . . . . . . . . . 4.2 ttp -128.24 82.2 2.07 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.595 1.185 . . . . 1.0 110.998 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -156.35 177.69 11.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.089 . . . . 1.0 109.335 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 666' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 48.43 66.16 1.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.352 1.033 . . . . 1.0 109.342 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 9.7 mmtt 66.77 101.8 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 1.0 109.267 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 668' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -35.66 3.01 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.537 1.809 . . . . 1.0 110.968 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.21 162.23 32.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 1.0 110.24 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.062 0 CA-C-O 117.018 -1.468 . . . . 1.0 110.01 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 111.042 -0.823 . . . . 1.0 111.042 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 553' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -124.44 106.68 10.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 0.743 . . . . 1.0 110.02 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 554' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -157.46 164.9 36.95 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.601 1.188 . . . . 1.0 109.574 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 555' ' ' MET . . . . . . . . . . . . . 1.9 ptt? -97.54 147.02 24.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.573 1.17 . . . . 1.0 111.035 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . -75.5 -176.76 39.95 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.523 1.139 . . . . 1.0 111.039 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -144.27 62.81 1.33 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.597 0.822 . . . . 1.0 109.347 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 558' ' ' ASP . . . . . 0.507 ' O ' ' HD3' ' A' ' 585' ' ' PRO . 1.2 m-20 -155.1 107.1 2.67 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.435 1.084 . . . . 1.0 109.296 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 559' ' ' CYS . . . . . 0.437 ' SG ' ' O ' ' A' ' 583' ' ' LEU . 47.6 t -69.23 142.32 54.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 1.0 108.224 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 560' ' ' ILE . . . . . 0.574 HD13 ' C ' ' A' ' 584' ' ' PHE . 53.2 mt -84.29 -59.0 3.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 1.0 109.34 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 561' ' ' MET . . . . . 0.435 ' SD ' ' OE2' ' A' ' 646' ' ' GLU . 0.0 OUTLIER -143.84 129.22 18.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 1.0 110.983 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 562' ' ' HIS . . . . . 0.521 ' HA ' ' CZ2' ' A' ' 643' ' ' TRP . 0.2 OUTLIER -130.03 156.45 44.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 1.0 109.561 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 563' ' ' GLY . . . . . 0.566 ' CA ' ' CE1' ' A' ' 580' ' ' TYR . . . 166.82 -172.0 41.84 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.497 1.123 . . . . 1.0 111.054 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 564' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -100.25 122.21 42.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 0.775 . . . . 1.0 111.043 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 565' ' ' MET . . . . . 0.576 ' SD ' ' CD2' ' A' ' 643' ' ' TRP . 2.5 ptt? -153.21 140.37 19.42 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.519 1.137 . . . . 1.0 110.993 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 566' ' ' SER . . . . . 0.543 ' OG ' ' O ' ' A' ' 633' ' ' GLN . 0.3 OUTLIER -93.16 153.77 18.45 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 1.0 110.001 179.945 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 567' ' ' LYS . . . . . 0.521 ' HD3' ' CD1' ' A' ' 630' ' ' PHE . 4.1 tmmm? -161.87 158.52 25.57 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.504 1.127 . . . . 1.0 109.373 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 568' ' ' MET . . . . . 0.426 ' N ' ' HD2' ' A' ' 567' ' ' LYS . 0.0 OUTLIER 167.41 167.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.593 1.183 . . . . 1.0 110.989 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 569' ' ' GLY . . . . . 0.451 ' O ' ' ND2' ' A' ' 570' ' ' ASN . . . -177.66 129.07 1.38 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.513 1.133 . . . . 1.0 110.969 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 570' ' ' ASN . . . . . 0.589 ' CB ' ' CD ' ' A' ' 571' ' ' PRO . 0.0 OUTLIER -165.91 -177.33 0.59 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.538 0.787 . . . . 1.0 109.263 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 571' ' ' PRO . . . . . 0.589 ' CD ' ' CB ' ' A' ' 570' ' ' ASN . 18.3 Cg_endo -75.01 2.4 6.67 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.454 1.765 . . . . 1.0 111.048 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 572' ' ' PHE . . . . . 0.569 ' CE2' ' HG2' ' A' ' 571' ' ' PRO . 3.5 m-85 -139.97 83.24 1.91 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.446 1.091 . . . . 1.0 110.899 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 2.9 tp -86.04 81.29 8.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.534 1.146 . . . . 1.0 109.286 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 574' ' ' THR . . . . . 0.483 ' CG2' ' O ' ' A' ' 574' ' ' THR . 0.4 OUTLIER -138.33 11.4 2.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 1.0 110.325 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 575' ' ' GLN . . . . . 0.577 ' O ' ' CD1' ' A' ' 576' ' ' TRP . 14.4 pt20 -126.58 167.0 16.25 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.425 1.078 . . . . 1.0 110.329 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 576' ' ' TRP . . . . . 0.577 ' CD1' ' O ' ' A' ' 575' ' ' GLN . 4.9 m-90 -155.5 120.93 4.93 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.994 -1.113 . . . . 1.0 107.994 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 577' ' ' GLN . . . . . 0.421 ' O ' ' HB2' ' A' ' 566' ' ' SER . 63.1 mt-30 -134.78 121.69 21.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 1.0 110.28 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 578' ' ' ARG . . . . . 0.533 ' HA ' ' HB2' ' A' ' 566' ' ' SER . 0.0 OUTLIER -86.31 139.99 30.49 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.473 1.108 . . . . 1.0 110.214 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 579' ' ' ARG . . . . . 0.573 ' HB2' ' CE1' ' A' ' 581' ' ' PHE . 59.9 mtp180 -146.07 154.72 42.16 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.462 1.101 . . . . 1.0 110.277 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 580' ' ' TYR . . . . . 0.566 ' CE1' ' CA ' ' A' ' 563' ' ' GLY . 0.5 OUTLIER -97.98 118.44 34.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.433 1.083 . . . . 1.0 110.992 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 581' ' ' PHE . . . . . 0.628 ' CD1' ' HA ' ' A' ' 590' ' ' TRP . 12.9 m-30 -115.08 172.95 6.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.604 1.19 . . . . 1.0 110.929 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 582' ' ' TYR . . . . . 0.481 ' CA ' ' HH2' ' A' ' 643' ' ' TRP . 21.9 m-85 -136.03 124.02 22.82 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 1.0 110.999 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 583' ' ' LEU . . . . . 0.682 ' HB2' ' CZ3' ' A' ' 643' ' ' TRP . 7.7 tp -88.45 111.82 22.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 1.0 109.305 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 584' ' ' PHE . . . . . 0.574 ' C ' HD13 ' A' ' 560' ' ' ILE . 7.1 m-85 -100.91 171.86 5.04 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.548 1.155 . . . . 1.0 110.979 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 585' ' ' PRO . . . . . 0.507 ' HD3' ' O ' ' A' ' 558' ' ' ASP . 18.1 Cg_endo -75.09 15.36 0.76 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.555 1.818 . . . . 1.0 110.981 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 586' ' ' ASN . . . . . 0.707 ' HA ' ' CG ' ' A' ' 603' ' ' MET . 0.7 OUTLIER 176.39 -40.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 1.0 109.3 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 587' ' ' ARG . . . . . 0.629 ' HA ' ' HA ' ' A' ' 602' ' ' THR . 0.0 OUTLIER -86.38 -167.54 1.91 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 1.0 110.271 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 588' ' ' LEU . . . . . 0.425 HD13 ' C ' ' A' ' 588' ' ' LEU . 0.1 OUTLIER 179.0 106.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 1.0 109.307 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 589' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.43 111.79 23.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.579 1.174 . . . . 1.0 110.285 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 590' ' ' TRP . . . . . 0.628 ' HA ' ' CD1' ' A' ' 581' ' ' PHE . 1.3 p-90 -112.04 99.67 8.26 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 107.984 -1.117 . . . . 1.0 107.984 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 1.9 mmt180 -132.19 169.63 16.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 1.0 110.282 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . 155.13 -140.19 7.2 Favored Glycine 0 CA--C 1.528 0.88 0 O-C-N 124.58 1.175 . . . . 1.0 111.02 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -78.09 170.52 16.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.396 0.703 . . . . 1.0 110.222 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . 84.34 -142.69 20.57 Favored Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.534 1.146 . . . . 1.0 110.97 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 595' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -175.5 161.34 2.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 0.759 . . . . 1.0 110.325 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . 178.38 158.55 0.61 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.431 1.082 . . . . 1.0 109.313 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 597' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.1 -22.04 15.06 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.54 1.811 . . . . 1.0 111.004 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 598' ' ' GLN . . . . . 0.529 ' HB3' ' CZ2' ' A' ' 590' ' ' TRP . 0.0 OUTLIER -101.58 149.38 24.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 1.0 110.332 179.924 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 599' ' ' SER . . . . . 0.518 ' O ' ' CD1' ' A' ' 590' ' ' TRP . 16.2 t -155.38 -45.06 0.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 1.0 109.985 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 600' ' ' LEU . . . . . 0.429 ' O ' ' CD1' ' A' ' 600' ' ' LEU . 0.0 OUTLIER -89.43 145.22 25.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 1.0 109.301 -179.932 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 601' ' ' LEU . . . . . 0.401 ' HG ' ' N ' ' A' ' 602' ' ' THR . 44.3 tp -164.98 163.66 20.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.568 1.168 . . . . 1.0 109.244 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 602' ' ' THR . . . . . 0.629 ' HA ' ' HA ' ' A' ' 587' ' ' ARG . 0.0 OUTLIER -114.84 -166.18 1.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 1.0 110.49 179.94 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 603' ' ' MET . . . . . 0.707 ' CG ' ' HA ' ' A' ' 586' ' ' ASN . 0.2 OUTLIER -125.38 38.72 4.12 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.445 1.091 . . . . 1.0 111.025 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 604' ' ' GLU . . . . . 0.522 ' HA ' ' HB2' ' A' ' 654' ' ' ALA . 10.7 pt-20 -126.16 58.82 1.34 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.45 1.094 . . . . 1.0 110.31 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 605' ' ' GLU . . . . . 0.448 ' O ' ' C ' ' A' ' 606' ' ' ILE . 3.1 pt-20 -157.68 -52.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 1.0 110.238 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 606' ' ' ILE . . . . . 1.016 ' CG2' ' CD2' ' A' ' 651' ' ' TYR . 0.9 OUTLIER -36.66 134.1 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.478 1.111 . . . . 1.0 109.321 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 607' ' ' GLN . . . . . 0.643 ' HG2' ' CB ' ' A' ' 625' ' ' ARG . 0.1 OUTLIER -83.74 -41.25 17.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.091 . . . . 1.0 110.243 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 608' ' ' SER . . . . . 0.462 ' O ' ' CD ' ' A' ' 623' ' ' LYS . 3.4 m -176.63 132.72 0.21 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.432 1.083 . . . . 1.0 110.064 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 609' ' ' VAL . . . . . 0.512 ' CG2' ' HD3' ' A' ' 644' ' ' LYS . 9.6 p -98.05 150.44 4.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 1.0 109.302 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 610' ' ' GLU . . . . . 0.491 ' O ' ' N ' ' A' ' 621' ' ' LEU . 0.6 OUTLIER -162.41 -168.53 1.87 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.372 1.045 . . . . 1.0 110.404 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 611' ' ' GLU . . . . . 0.521 ' HA ' ' HA ' ' A' ' 620' ' ' LEU . 32.2 tt0 -145.09 148.72 33.97 Favored 'General case' 0 C--N 1.322 -0.6 0 O-C-N 124.643 1.215 . . . . 1.0 110.346 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 612' ' ' THR . . . . . 0.61 ' C ' ' HB3' ' A' ' 618' ' ' LYS . 0.1 OUTLIER -115.82 166.31 12.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 1.0 110.337 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 613' ' ' GLN . . . . . 0.469 ' N ' ' HB3' ' A' ' 618' ' ' LYS . 10.9 mt-30 -134.09 156.55 48.06 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.47 1.106 . . . . 1.0 110.301 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 614' ' ' ILE . . . . . 0.715 ' O ' ' CG2' ' A' ' 614' ' ' ILE . 0.0 OUTLIER -140.29 85.29 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 1.0 109.296 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 615' ' ' LYS . . . . . 0.403 ' HB2' ' O ' ' A' ' 614' ' ' ILE . 11.4 mmtm 81.29 -35.71 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 1.0 109.295 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 616' ' ' GLU . . . . . 0.438 ' H ' ' C ' ' A' ' 614' ' ' ILE . 2.5 tt0 -156.12 -44.31 0.08 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.493 1.121 . . . . 1.0 110.277 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 2.7 ttm180 -154.7 136.15 14.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.101 . . . . 1.0 110.317 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 618' ' ' LYS . . . . . 0.61 ' HB3' ' C ' ' A' ' 612' ' ' THR . 5.8 tptt -117.42 -95.33 0.48 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 1.0 109.299 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 619' ' ' CYS . . . . . 0.474 ' O ' ' CG ' ' A' ' 611' ' ' GLU . 6.9 m -158.96 -170.7 3.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.527 1.142 . . . . 1.0 108.335 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 620' ' ' LEU . . . . . 0.609 ' CD1' ' CD1' ' A' ' 640' ' ' LEU . 0.1 OUTLIER -104.26 143.32 33.12 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.464 1.102 . . . . 1.0 109.268 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 621' ' ' LEU . . . . . 0.491 ' N ' ' O ' ' A' ' 610' ' ' GLU . 5.7 tp -94.43 159.49 15.08 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.526 1.142 . . . . 1.0 109.261 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 622' ' ' LEU . . . . . 0.562 ' CD2' HG12 ' A' ' 606' ' ' ILE . 0.8 OUTLIER -162.96 85.66 0.53 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.556 1.16 . . . . 1.0 109.226 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 623' ' ' LYS . . . . . 0.462 ' CD ' ' O ' ' A' ' 608' ' ' SER . 0.0 OUTLIER -90.93 138.24 31.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 1.0 109.334 179.915 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 624' ' ' ILE . . . . . 0.715 ' HA ' ' HA ' ' A' ' 606' ' ' ILE . 71.4 mt -103.94 143.38 15.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 1.0 109.334 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 625' ' ' ARG . . . . . 0.643 ' CB ' ' HG2' ' A' ' 607' ' ' GLN . 2.9 ptm180 -79.41 3.64 17.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.432 1.083 . . . . 1.0 110.254 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 626' ' ' GLY . . . . . 0.416 ' H ' ' CG2' ' A' ' 624' ' ' ILE . . . -88.12 -20.42 49.54 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.553 1.158 . . . . 1.0 111.008 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 116.14 41.14 0.78 Allowed Glycine 0 CA--C 1.529 0.935 0 N-CA-C 110.991 -0.844 . . . . 1.0 110.991 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 628' ' ' LYS . . . . . . . . . . . . . 1.2 mtmm -143.97 170.16 16.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 0.731 . . . . 1.0 109.263 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 629' ' ' GLN . . . . . 0.431 ' NE2' HD13 ' A' ' 631' ' ' ILE . 0.0 OUTLIER -143.61 135.11 26.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 1.0 110.339 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 630' ' ' PHE . . . . . 0.521 ' CD1' ' HD3' ' A' ' 567' ' ' LYS . 0.4 OUTLIER -125.07 166.91 15.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.15 . . . . 1.0 110.908 -179.954 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 631' ' ' ILE . . . . . 0.431 HD13 ' NE2' ' A' ' 629' ' ' GLN . 0.2 OUTLIER -145.8 112.11 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.537 1.148 . . . . 1.0 109.294 179.872 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 632' ' ' LEU . . . . . 0.442 HD12 ' CD1' ' A' ' 622' ' ' LEU . 0.8 OUTLIER -83.28 152.77 24.99 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.095 . . . . 1.0 109.333 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 633' ' ' GLN . . . . . 0.543 ' O ' ' OG ' ' A' ' 566' ' ' SER . 3.0 tm0? -153.13 103.42 2.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 1.0 110.335 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 634' ' ' CYS . . . . . 0.446 ' SG ' ' HA ' ' A' ' 565' ' ' MET . 8.7 t -116.51 164.06 15.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 1.0 108.221 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 635' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -88.1 -14.96 37.5 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.477 1.11 . . . . 1.0 109.299 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 636' ' ' SER . . . . . 0.471 ' CB ' ' HB2' ' A' ' 639' ' ' GLU . 0.4 OUTLIER -92.52 146.92 23.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 1.0 110.084 179.927 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 637' ' ' ASP . . . . . 0.622 ' N ' ' CD ' ' A' ' 638' ' ' PRO . 3.2 t0 -84.23 -45.12 0.75 Allowed Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.452 1.095 . . . . 1.0 109.255 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 638' ' ' PRO . . . . . 0.622 ' CD ' ' N ' ' A' ' 637' ' ' ASP . 18.6 Cg_endo -75.0 -52.76 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.517 1.799 . . . . 1.0 110.996 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 639' ' ' GLU . . . . . 0.55 ' C ' ' O ' ' A' ' 638' ' ' PRO . 23.2 mm-40 -25.54 -80.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.531 1.144 . . . . 1.0 110.249 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 640' ' ' LEU . . . . . 0.609 ' CD1' ' CD1' ' A' ' 620' ' ' LEU . 0.2 OUTLIER -50.47 -46.35 56.83 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.461 1.101 . . . . 1.0 109.285 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 641' ' ' VAL . . . . . 0.515 ' CG1' ' N ' ' A' ' 642' ' ' GLN . 0.9 OUTLIER -45.84 -59.17 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 1.0 109.304 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 642' ' ' GLN . . . . . 0.515 ' N ' ' CG1' ' A' ' 641' ' ' VAL . 0.1 OUTLIER -62.6 -39.98 95.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.433 1.083 . . . . 1.0 110.249 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 643' ' ' TRP . . . . . 0.682 ' CZ3' ' HB2' ' A' ' 583' ' ' LEU . 22.6 m95 -54.46 -46.88 73.41 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.982 -1.118 . . . . 1.0 107.982 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 644' ' ' LYS . . . . . 0.562 ' CE ' HD22 ' A' ' 620' ' ' LEU . 0.1 OUTLIER -57.4 -61.04 2.77 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.521 1.138 . . . . 1.0 109.363 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 645' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 644' ' ' LYS . 10.0 tmtt? -38.58 -57.89 1.11 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.58 1.175 . . . . 1.0 109.354 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 646' ' ' GLU . . . . . 0.559 ' CB ' HD21 ' A' ' 583' ' ' LEU . 0.7 OUTLIER -66.12 -35.49 80.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.561 1.163 . . . . 1.0 110.282 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 647' ' ' LEU . . . . . 0.665 ' HG ' ' CD1' ' A' ' 583' ' ' LEU . 0.4 OUTLIER -66.03 -64.25 0.9 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 1.0 109.353 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 648' ' ' ARG . . . . . 0.552 ' N ' ' O ' ' A' ' 644' ' ' LYS . 0.2 OUTLIER -35.88 -57.87 0.66 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 1.0 110.311 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 649' ' ' ASP . . . . . 0.44 ' O ' ' N ' ' A' ' 653' ' ' GLU . 47.2 t0 -60.01 -43.23 95.37 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.555 1.16 . . . . 1.0 109.328 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 650' ' ' ALA . . . . . 0.531 ' CB ' ' SD ' ' A' ' 603' ' ' MET . . . -52.41 -51.2 60.32 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.536 1.148 . . . . 1.0 109.322 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 651' ' ' TYR . . . . . 1.016 ' CD2' ' CG2' ' A' ' 606' ' ' ILE . 21.3 m-30 -70.55 -28.63 65.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 1.0 110.976 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 652' ' ' ARG . . . . . 0.621 ' O ' ' HG2' ' A' ' 655' ' ' GLN . 4.4 mmm180 -75.99 -63.18 1.37 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.424 1.078 . . . . 1.0 110.352 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 653' ' ' GLU . . . . . 0.461 ' O ' ' HG ' ' A' ' 657' ' ' LEU . 3.6 tp10 -45.64 -30.65 1.6 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 1.0 110.302 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 654' ' ' ALA . . . . . 0.522 ' HB2' ' HA ' ' A' ' 604' ' ' GLU . . . -80.12 -53.78 6.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 1.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 655' ' ' GLN . . . . . 0.621 ' HG2' ' O ' ' A' ' 652' ' ' ARG . 6.3 pt20 -48.71 -42.17 34.13 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.468 1.105 . . . . 1.0 110.259 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 656' ' ' GLN . . . . . 0.468 ' N ' ' HG3' ' A' ' 655' ' ' GLN . 0.0 OUTLIER -59.09 -16.07 17.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 1.0 110.363 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 657' ' ' LEU . . . . . 0.484 ' CD1' ' HA ' ' A' ' 654' ' ' ALA . 7.7 mt -86.17 -30.83 22.16 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.396 1.06 . . . . 1.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 658' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -109.72 13.73 8.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 1.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 659' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' A' ' 661' ' ' VAL . 0.0 OUTLIER -61.56 -59.27 5.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.392 1.057 . . . . 1.0 110.306 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 660' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -68.29 65.81 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 1.0 110.263 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 661' ' ' VAL . . . . . 0.474 ' CG2' ' HD2' ' A' ' 662' ' ' PRO . 13.0 p -119.09 140.62 29.05 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 1.0 109.324 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 662' ' ' PRO . . . . . 0.474 ' HD2' ' CG2' ' A' ' 661' ' ' VAL . 18.7 Cg_endo -74.9 176.25 10.13 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.452 1.764 . . . . 1.0 111.08 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 6.8 ttpt -66.76 -77.75 0.07 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.564 1.165 . . . . 1.0 109.296 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 664' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -122.61 -25.64 4.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 1.0 111.034 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 665' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 666' ' ' ASN . 8.0 ttmm 177.21 127.68 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 1.0 109.258 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 666' ' ' ASN . . . . . 0.407 ' C ' ' O ' ' A' ' 665' ' ' LYS . 2.6 t30 39.71 56.12 2.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 1.0 109.337 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 5.4 ttmt -153.2 68.34 6.54 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 1.0 109.311 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 668' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 55.27 3.89 Favored 'Trans proline' 0 C--N 1.361 1.228 0 O-C-N 124.53 1.805 . . . . 1.0 110.979 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 6.1 ttp180 65.14 128.04 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 1.0 110.324 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 83.4 p . . . . . 0 C--O 1.249 1.068 0 CA-C-O 117.004 -1.474 . . . . 1.0 109.949 -179.975 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 111.023 -0.831 . . . . 1.0 111.023 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 553' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 178.07 78.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 0.746 . . . . 1.0 109.949 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 554' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -164.13 84.37 0.44 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 1.0 109.66 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 555' ' ' MET . . . . . . . . . . . . . 4.7 ptt? -156.55 145.77 20.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.618 1.199 . . . . 1.0 110.962 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . -97.78 -177.59 33.73 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.601 1.188 . . . . 1.0 111.015 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 557' ' ' LYS . . . . . 0.413 ' C ' ' HG2' ' A' ' 585' ' ' PRO . 0.0 OUTLIER -113.59 -20.14 11.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.446 0.733 . . . . 1.0 109.343 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 558' ' ' ASP . . . . . 0.674 ' O ' ' CZ ' ' A' ' 584' ' ' PHE . 23.2 p-10 -139.69 17.64 2.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 1.0 109.304 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 559' ' ' CYS . . . . . 0.591 ' CA ' ' HD3' ' A' ' 585' ' ' PRO . 4.7 t -170.44 124.31 0.7 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.625 1.203 . . . . 1.0 108.318 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 560' ' ' ILE . . . . . 0.633 HG23 ' CG ' ' A' ' 646' ' ' GLU . 39.2 mt -97.49 -64.62 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.148 . . . . 1.0 109.322 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 561' ' ' MET . . . . . 0.498 ' HB2' ' HG2' ' A' ' 646' ' ' GLU . 0.0 OUTLIER -152.94 138.88 18.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.584 1.178 . . . . 1.0 110.983 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 562' ' ' HIS . . . . . . . . . . . . . 4.6 p80 -128.32 153.64 46.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 1.0 109.572 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 563' ' ' GLY . . . . . . . . . . . . . . . 171.39 -176.5 44.63 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.452 1.095 . . . . 1.0 111.057 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 564' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -103.68 121.72 43.55 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.511 0.771 . . . . 1.0 111.004 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 565' ' ' MET . . . . . 0.618 ' SD ' ' CE2' ' A' ' 643' ' ' TRP . 2.6 ptm -150.95 152.68 33.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 1.0 111.04 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 566' ' ' SER . . . . . 0.43 ' O ' ' N ' ' A' ' 633' ' ' GLN . 0.3 OUTLIER -102.52 136.69 41.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 1.0 109.972 -179.933 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 567' ' ' LYS . . . . . 0.643 ' HE2' ' CE1' ' A' ' 630' ' ' PHE . 0.1 OUTLIER -160.13 148.45 16.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.423 1.077 . . . . 1.0 109.357 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 568' ' ' MET . . . . . 0.424 ' HE1' ' NE2' ' A' ' 575' ' ' GLN . 0.0 OUTLIER -162.72 167.43 23.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 1.0 110.949 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 569' ' ' GLY . . . . . 0.417 ' C ' ' CG ' ' A' ' 570' ' ' ASN . . . -165.33 119.07 0.84 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.541 1.151 . . . . 1.0 110.976 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 570' ' ' ASN . . . . . 0.581 ' CB ' ' CD ' ' A' ' 571' ' ' PRO . 0.0 OUTLIER -166.3 -178.06 0.66 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.464 0.744 . . . . 1.0 109.253 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 571' ' ' PRO . . . . . 0.581 ' CD ' ' CB ' ' A' ' 570' ' ' ASN . 18.3 Cg_endo -74.94 2.6 6.42 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.447 1.762 . . . . 1.0 110.997 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 572' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -136.57 87.15 2.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 1.0 111.021 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 1.3 tp -82.17 75.13 9.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.099 . . . . 1.0 109.277 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 574' ' ' THR . . . . . 0.467 ' O ' ' CG2' ' A' ' 574' ' ' THR . 0.6 OUTLIER -154.05 20.67 0.51 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.565 1.166 . . . . 1.0 110.34 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 575' ' ' GLN . . . . . 0.424 ' NE2' ' HE1' ' A' ' 568' ' ' MET . 6.2 pt20 -134.0 95.15 3.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 1.0 110.188 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 576' ' ' TRP . . . . . . . . . . . . . 2.5 m0 -94.59 132.55 39.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 1.0 108.035 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 577' ' ' GLN . . . . . 0.419 ' O ' ' HB2' ' A' ' 566' ' ' SER . 0.2 OUTLIER -143.26 130.27 20.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 1.0 110.338 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 578' ' ' ARG . . . . . 0.402 ' HA ' ' HB2' ' A' ' 566' ' ' SER . 0.3 OUTLIER -82.65 119.25 24.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.405 1.065 . . . . 1.0 110.306 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 579' ' ' ARG . . . . . 0.493 ' O ' ' O ' ' A' ' 565' ' ' MET . 10.3 mtm180 -131.73 161.65 32.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 1.0 110.344 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 580' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -89.58 123.63 33.82 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.533 1.146 . . . . 1.0 111.082 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 581' ' ' PHE . . . . . 0.545 ' CE2' ' HB3' ' A' ' 590' ' ' TRP . 2.6 m-85 -117.5 159.94 22.03 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.547 1.154 . . . . 1.0 111.044 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 582' ' ' TYR . . . . . 0.413 ' N ' ' O ' ' A' ' 589' ' ' GLU . 82.4 m-85 -139.15 122.64 17.27 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.507 1.129 . . . . 1.0 111.068 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 583' ' ' LEU . . . . . 0.678 ' HB2' ' CZ3' ' A' ' 643' ' ' TRP . 6.1 tp -90.01 102.97 15.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 1.0 109.35 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 584' ' ' PHE . . . . . 0.674 ' CZ ' ' O ' ' A' ' 558' ' ' ASP . 0.2 OUTLIER -103.81 147.43 34.25 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.45 1.094 . . . . 1.0 110.981 -179.94 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 585' ' ' PRO . . . . . 0.591 ' HD3' ' CA ' ' A' ' 559' ' ' CYS . 18.2 Cg_endo -75.07 64.48 6.11 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.459 1.768 . . . . 1.0 110.931 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 586' ' ' ASN . . . . . 0.563 ' HA ' ' SD ' ' A' ' 603' ' ' MET . 7.9 m-20 151.2 -31.04 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.445 1.091 . . . . 1.0 109.341 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 587' ' ' ARG . . . . . 0.56 ' HA ' ' HA ' ' A' ' 602' ' ' THR . 0.0 OUTLIER -142.6 -175.03 4.31 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.134 . . . . 1.0 110.411 179.937 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 588' ' ' LEU . . . . . 0.471 HD13 ' CD2' ' A' ' 581' ' ' PHE . 0.1 OUTLIER -158.9 123.92 4.2 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.46 1.1 . . . . 1.0 109.351 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 589' ' ' GLU . . . . . 0.416 ' N ' HD11 ' A' ' 588' ' ' LEU . 2.3 mt-10 -98.56 135.02 40.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.427 1.079 . . . . 1.0 110.308 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 590' ' ' TRP . . . . . 0.549 ' CD1' ' O ' ' A' ' 599' ' ' SER . 0.0 OUTLIER -140.36 99.15 3.58 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 107.941 -1.133 . . . . 1.0 107.941 -179.912 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.46 177.08 4.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 1.0 110.295 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . 144.93 -157.57 27.35 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.468 1.105 . . . . 1.0 110.991 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -79.45 161.27 26.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.451 0.736 . . . . 1.0 110.31 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . 59.91 145.34 0.01 OUTLIER Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.564 1.165 . . . . 1.0 110.967 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 595' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 75.63 174.76 0.23 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 0.785 . . . . 1.0 110.307 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . -82.24 158.39 66.8 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.394 1.059 . . . . 1.0 109.343 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 597' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -14.23 21.19 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.459 1.768 . . . . 1.0 111.04 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 598' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.67 87.86 7.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.403 1.064 . . . . 1.0 110.308 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 599' ' ' SER . . . . . 0.549 ' O ' ' CD1' ' A' ' 590' ' ' TRP . 9.5 m -143.52 78.98 1.62 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.407 1.067 . . . . 1.0 110.001 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 1.9 pp -141.15 119.95 12.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 1.0 109.326 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -113.47 -170.85 1.77 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.104 . . . . 1.0 109.255 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 602' ' ' THR . . . . . 0.56 ' HA ' ' HA ' ' A' ' 587' ' ' ARG . 0.2 OUTLIER -104.86 -157.58 0.62 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 1.0 110.348 -179.932 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 603' ' ' MET . . . . . 0.563 ' SD ' ' HA ' ' A' ' 586' ' ' ASN . 0.7 OUTLIER -126.52 20.59 7.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.14 . . . . 1.0 110.932 -179.946 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -121.58 66.13 0.89 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 1.0 110.323 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 605' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -158.6 -49.59 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 1.0 110.293 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 606' ' ' ILE . . . . . 0.909 ' CG2' ' CD2' ' A' ' 651' ' ' TYR . 1.1 mp -46.15 134.9 2.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.556 1.16 . . . . 1.0 109.273 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 607' ' ' GLN . . . . . 0.524 ' HG3' ' HA ' ' A' ' 625' ' ' ARG . 0.0 OUTLIER -88.3 -37.63 15.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 1.0 110.369 179.898 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 608' ' ' SER . . . . . 0.515 ' O ' ' CD ' ' A' ' 623' ' ' LYS . 0.8 OUTLIER -176.23 135.1 0.26 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 1.0 109.994 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 609' ' ' VAL . . . . . 0.538 HG21 ' CD ' ' A' ' 644' ' ' LYS . 4.1 p -107.38 142.44 20.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 1.0 109.255 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 610' ' ' GLU . . . . . 0.523 ' C ' ' HE3' ' A' ' 644' ' ' LYS . 0.1 OUTLIER -163.92 173.7 12.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.579 1.174 . . . . 1.0 110.313 179.925 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 611' ' ' GLU . . . . . 0.578 ' HA ' ' HA ' ' A' ' 620' ' ' LEU . 20.4 tt0 -119.9 145.13 46.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 1.0 110.298 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 612' ' ' THR . . . . . 0.483 ' O ' ' HB3' ' A' ' 618' ' ' LYS . 3.2 t -110.77 139.84 45.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.383 1.052 . . . . 1.0 110.452 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -111.58 158.27 19.41 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 1.0 110.298 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 614' ' ' ILE . . . . . 0.735 ' O ' ' CG2' ' A' ' 614' ' ' ILE . 0.0 OUTLIER -146.55 87.93 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 1.0 109.212 179.932 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 615' ' ' LYS . . . . . 0.444 ' CB ' ' O ' ' A' ' 614' ' ' ILE . 2.8 mttp 84.3 -36.97 0.06 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.155 . . . . 1.0 109.274 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 616' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -155.68 -50.24 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 1.0 110.307 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 617' ' ' ARG . . . . . 0.637 ' CZ ' ' OD1' ' A' ' 637' ' ' ASP . 10.4 ttt180 -161.73 133.37 5.48 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.548 1.155 . . . . 1.0 110.343 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 618' ' ' LYS . . . . . 0.486 ' CG ' ' CD1' ' A' ' 614' ' ' ILE . 0.6 OUTLIER -112.94 -101.95 0.41 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 1.0 109.236 -179.903 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 619' ' ' CYS . . . . . 0.667 ' SG ' ' CG ' ' A' ' 633' ' ' GLN . 0.0 OUTLIER -145.38 -161.31 1.28 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 1.0 108.21 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 620' ' ' LEU . . . . . 0.672 ' CD1' ' CD1' ' A' ' 640' ' ' LEU . 0.0 OUTLIER -114.51 156.96 23.64 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.499 1.124 . . . . 1.0 109.358 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 621' ' ' LEU . . . . . 0.495 ' CD2' ' CD ' ' A' ' 610' ' ' GLU . 0.4 OUTLIER -117.34 154.74 30.76 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.523 1.139 . . . . 1.0 109.3 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 622' ' ' LEU . . . . . 0.6 ' CD2' ' HE2' ' A' ' 651' ' ' TYR . 5.9 mt -149.23 87.67 1.54 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 1.0 109.286 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 623' ' ' LYS . . . . . 0.515 ' CD ' ' O ' ' A' ' 608' ' ' SER . 0.0 OUTLIER -86.66 135.66 33.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.428 1.08 . . . . 1.0 109.244 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 624' ' ' ILE . . . . . 0.709 ' HA ' ' HA ' ' A' ' 606' ' ' ILE . 71.8 mt -107.2 143.0 18.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.145 . . . . 1.0 109.234 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 625' ' ' ARG . . . . . 0.524 ' HA ' ' HG3' ' A' ' 607' ' ' GLN . 0.0 OUTLIER -77.9 2.71 16.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 1.0 110.291 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 626' ' ' GLY . . . . . . . . . . . . . . . -85.39 -28.04 31.32 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.518 1.136 . . . . 1.0 110.997 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 129.68 -5.23 6.19 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.942 -0.863 . . . . 1.0 110.942 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 628' ' ' LYS . . . . . . . . . . . . . 8.4 mtmt -106.42 168.06 9.42 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.416 0.715 . . . . 1.0 109.228 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 21.3 mp0 -135.55 173.38 11.78 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.42 1.075 . . . . 1.0 110.306 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 630' ' ' PHE . . . . . 0.643 ' CE1' ' HE2' ' A' ' 567' ' ' LYS . 0.3 OUTLIER -152.61 160.59 43.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 1.0 111.036 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 631' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -140.91 114.33 5.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 1.0 109.294 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 632' ' ' LEU . . . . . 0.55 ' CD1' HD21 ' A' ' 620' ' ' LEU . 0.5 OUTLIER -84.4 149.2 26.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 1.0 109.246 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 633' ' ' GLN . . . . . 0.667 ' CG ' ' SG ' ' A' ' 619' ' ' CYS . 0.5 OUTLIER -154.72 104.77 2.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 1.0 110.346 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 634' ' ' CYS . . . . . 0.424 ' SG ' ' OE1' ' A' ' 639' ' ' GLU . 12.2 t -122.89 148.35 45.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 1.0 108.258 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 635' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.17 -6.21 37.73 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.544 1.153 . . . . 1.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 636' ' ' SER . . . . . 0.495 ' CB ' ' HB2' ' A' ' 639' ' ' GLU . 1.6 m -102.54 143.36 32.34 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.45 1.094 . . . . 1.0 109.978 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 637' ' ' ASP . . . . . 0.648 ' N ' ' CD ' ' A' ' 638' ' ' PRO . 0.4 OUTLIER -81.45 -43.7 1.12 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.567 1.167 . . . . 1.0 109.246 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 638' ' ' PRO . . . . . 0.648 ' CD ' ' N ' ' A' ' 637' ' ' ASP . 18.6 Cg_endo -75.0 -52.45 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.563 1.823 . . . . 1.0 111.007 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 639' ' ' GLU . . . . . 0.561 ' C ' ' O ' ' A' ' 638' ' ' PRO . 2.6 tt0 -25.21 -76.12 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.437 1.086 . . . . 1.0 110.345 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 640' ' ' LEU . . . . . 0.672 ' CD1' ' CD1' ' A' ' 620' ' ' LEU . 0.2 OUTLIER -53.56 -51.91 61.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 1.0 109.292 179.949 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 641' ' ' VAL . . . . . 0.526 ' CG1' ' N ' ' A' ' 642' ' ' GLN . 0.8 OUTLIER -41.3 -58.93 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.518 1.136 . . . . 1.0 109.351 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 642' ' ' GLN . . . . . 0.526 ' N ' ' CG1' ' A' ' 641' ' ' VAL . 0.0 OUTLIER -64.68 -42.16 95.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 1.0 110.231 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 643' ' ' TRP . . . . . 0.678 ' CZ3' ' HB2' ' A' ' 583' ' ' LEU . 11.2 m95 -52.25 -42.51 63.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 1.0 107.993 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 644' ' ' LYS . . . . . 0.538 ' CD ' HG21 ' A' ' 609' ' ' VAL . 0.0 OUTLIER -58.18 -59.35 5.44 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.465 1.103 . . . . 1.0 109.322 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 645' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 644' ' ' LYS . 7.9 tmtm? -39.18 -55.12 1.7 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.42 1.075 . . . . 1.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 646' ' ' GLU . . . . . 0.633 ' CG ' HG23 ' A' ' 560' ' ' ILE . 1.0 OUTLIER -64.98 -37.42 87.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 1.0 110.368 179.914 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 647' ' ' LEU . . . . . 0.574 ' HG ' ' CD1' ' A' ' 583' ' ' LEU . 0.6 OUTLIER -64.69 -62.72 1.4 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.564 1.165 . . . . 1.0 109.347 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 648' ' ' ARG . . . . . 0.486 ' HG3' ' CG1' ' A' ' 609' ' ' VAL . 6.3 ttp180 -36.97 -50.84 0.9 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.363 1.039 . . . . 1.0 110.321 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 649' ' ' ASP . . . . . 0.435 ' O ' ' C ' ' A' ' 650' ' ' ALA . 43.3 t0 -64.23 -58.49 6.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 1.0 109.309 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 650' ' ' ALA . . . . . 0.513 ' O ' ' HB2' ' A' ' 603' ' ' MET . . . -37.42 -50.81 1.09 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.586 1.179 . . . . 1.0 109.349 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 651' ' ' TYR . . . . . 0.909 ' CD2' ' CG2' ' A' ' 606' ' ' ILE . 10.9 m-30 -69.95 -47.86 60.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 1.0 111.05 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 652' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' A' ' 655' ' ' GLN . 23.3 mtp180 -57.02 -62.52 1.69 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 1.0 110.297 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 653' ' ' GLU . . . . . 0.488 ' HA ' ' CG ' ' A' ' 656' ' ' GLN . 0.3 OUTLIER -39.57 -54.54 1.98 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 1.0 110.307 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -47.97 -45.27 31.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 1.0 109.322 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 655' ' ' GLN . . . . . 0.471 ' O ' ' N ' ' A' ' 658' ' ' VAL . 55.7 mt-30 -61.1 -67.87 0.36 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 1.0 110.248 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 656' ' ' GLN . . . . . 0.488 ' CG ' ' HA ' ' A' ' 653' ' ' GLU . 11.9 pt20 -50.77 -21.8 1.82 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 1.0 110.338 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 657' ' ' LEU . . . . . 0.449 ' CD1' ' HG3' ' A' ' 656' ' ' GLN . 6.8 mp -86.43 -28.94 23.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.158 . . . . 1.0 109.312 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 658' ' ' VAL . . . . . 0.471 ' N ' ' O ' ' A' ' 655' ' ' GLN . 4.7 p -105.76 14.26 7.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 1.0 109.372 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 659' ' ' GLN . . . . . 0.453 ' O ' ' N ' ' A' ' 661' ' ' VAL . 0.6 OUTLIER -62.85 -58.5 7.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 1.0 110.24 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 660' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.84 66.19 0.09 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 1.0 110.335 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 661' ' ' VAL . . . . . 0.473 ' CG2' ' HD2' ' A' ' 662' ' ' PRO . 14.8 p -116.99 140.67 27.28 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 1.0 109.319 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 662' ' ' PRO . . . . . 0.473 ' HD2' ' CG2' ' A' ' 661' ' ' VAL . 18.1 Cg_endo -75.05 -171.52 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.543 1.812 . . . . 1.0 110.989 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -65.39 174.77 1.99 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.145 . . . . 1.0 109.299 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 664' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -80.88 59.19 3.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 1.0 111.057 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 665' ' ' LYS . . . . . 0.45 ' O ' ' CB ' ' A' ' 666' ' ' ASN . 0.1 OUTLIER -178.4 37.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 1.0 109.324 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 666' ' ' ASN . . . . . 0.45 ' CB ' ' O ' ' A' ' 665' ' ' LYS . 1.0 OUTLIER 79.51 -46.29 0.35 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 1.0 109.302 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 5.2 mttt -157.64 168.34 12.67 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 1.0 109.354 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 668' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -45.82 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.426 1.751 . . . . 1.0 111.015 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.75 -56.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.403 1.064 . . . . 1.0 110.317 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 10.7 t . . . . . 0 C--O 1.249 1.078 0 CA-C-O 117.048 -1.453 . . . . 1.0 110.116 -179.909 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.952 0 N-CA-C 111.025 -0.83 . . . . 1.0 111.025 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 553' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -176.99 105.57 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 0.74 . . . . 1.0 110.043 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 554' ' ' HIS . . . . . . . . . . . . . 4.4 t-160 -153.67 74.78 1.01 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.558 1.161 . . . . 1.0 109.598 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 555' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -158.69 -174.27 4.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 1.0 110.98 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . -50.83 173.91 0.1 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.474 1.109 . . . . 1.0 111.001 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 14.9 tttt -151.02 60.33 0.92 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.442 0.73 . . . . 1.0 109.312 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 558' ' ' ASP . . . . . 0.484 ' O ' ' HG3' ' A' ' 585' ' ' PRO . 0.4 OUTLIER -155.69 111.57 3.07 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.433 1.083 . . . . 1.0 109.34 179.934 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 559' ' ' CYS . . . . . 0.413 ' SG ' ' O ' ' A' ' 583' ' ' LEU . 0.9 OUTLIER -67.99 142.57 55.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 1.0 108.224 -179.87 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 560' ' ' ILE . . . . . 0.595 ' CG2' ' HG3' ' A' ' 646' ' ' GLU . 49.4 mt -75.49 -59.79 2.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 1.0 109.337 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 561' ' ' MET . . . . . 0.529 ' CE ' ' HB3' ' A' ' 642' ' ' GLN . 0.0 OUTLIER -137.02 142.52 42.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.1 . . . . 1.0 111.039 179.902 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 562' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -141.45 148.37 39.4 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.554 1.159 . . . . 1.0 109.601 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 563' ' ' GLY . . . . . . . . . . . . . . . 171.11 -171.36 43.88 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.485 1.115 . . . . 1.0 111.058 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 564' ' ' TYR . . . . . 0.419 ' HE1' ' CA ' ' A' ' 579' ' ' ARG . 0.8 OUTLIER -107.12 120.54 42.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 0.729 . . . . 1.0 110.899 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 565' ' ' MET . . . . . 0.597 ' O ' ' O ' ' A' ' 579' ' ' ARG . 1.8 ptt? -151.87 150.68 30.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 1.0 111.048 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 566' ' ' SER . . . . . 0.452 ' HB2' ' HA ' ' A' ' 578' ' ' ARG . 0.2 OUTLIER -96.67 149.01 22.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 1.0 110.022 -179.931 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 567' ' ' LYS . . . . . 0.658 ' HE2' ' CD1' ' A' ' 630' ' ' PHE . 12.1 tttt -160.69 145.23 14.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 1.0 109.215 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 568' ' ' MET . . . . . 0.51 ' N ' ' HG2' ' A' ' 567' ' ' LYS . 51.1 tpp -172.55 160.21 4.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.396 1.06 . . . . 1.0 111.067 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 569' ' ' GLY . . . . . 0.401 ' O ' ' OD1' ' A' ' 570' ' ' ASN . . . -167.5 120.73 0.92 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.55 1.156 . . . . 1.0 111.014 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 570' ' ' ASN . . . . . 0.56 ' CB ' ' CD ' ' A' ' 571' ' ' PRO . 0.0 OUTLIER -165.31 -178.7 0.78 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.501 0.765 . . . . 1.0 109.238 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 571' ' ' PRO . . . . . 0.56 ' CD ' ' CB ' ' A' ' 570' ' ' ASN . 18.3 Cg_endo -75.04 17.5 0.59 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.357 1.714 . . . . 1.0 110.974 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 572' ' ' PHE . . . . . 0.501 ' CE2' ' HG2' ' A' ' 571' ' ' PRO . 7.2 m-85 -141.88 86.43 1.99 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 1.0 110.98 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -86.16 87.03 7.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 1.0 109.345 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 574' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -159.81 -25.71 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 1.0 110.369 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 575' ' ' GLN . . . . . 0.603 ' O ' ' CD1' ' A' ' 576' ' ' TRP . 19.0 pt20 -94.2 147.7 22.91 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.504 1.127 . . . . 1.0 110.339 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 576' ' ' TRP . . . . . 0.603 ' CD1' ' O ' ' A' ' 575' ' ' GLN . 3.9 m0 -146.5 130.38 17.18 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.022 -1.103 . . . . 1.0 108.022 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 577' ' ' GLN . . . . . 0.443 ' O ' ' HB2' ' A' ' 566' ' ' SER . 0.0 OUTLIER -135.0 128.25 32.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 1.0 110.296 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 578' ' ' ARG . . . . . 0.452 ' HA ' ' HB2' ' A' ' 566' ' ' SER . 0.0 OUTLIER -83.96 123.14 29.66 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.494 1.121 . . . . 1.0 110.353 179.942 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 579' ' ' ARG . . . . . 0.597 ' O ' ' O ' ' A' ' 565' ' ' MET . 2.4 mmt85 -136.32 166.52 23.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 1.0 110.278 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 580' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -89.33 136.29 33.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 1.0 110.965 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 581' ' ' PHE . . . . . 0.585 ' CG ' ' HB3' ' A' ' 590' ' ' TRP . 0.6 OUTLIER -120.44 166.77 13.12 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.442 1.089 . . . . 1.0 111.008 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 582' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -146.7 114.2 6.35 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.513 1.133 . . . . 1.0 111.051 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 583' ' ' LEU . . . . . 0.689 ' HB2' ' CZ3' ' A' ' 643' ' ' TRP . 5.7 tp -90.28 109.05 20.16 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.591 1.182 . . . . 1.0 109.343 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 584' ' ' PHE . . . . . 0.519 ' O ' HD13 ' A' ' 560' ' ' ILE . 0.5 OUTLIER -98.16 162.83 20.76 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.524 1.14 . . . . 1.0 110.956 -179.922 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 585' ' ' PRO . . . . . 0.533 ' HA ' ' CD1' ' A' ' 560' ' ' ILE . 18.4 Cg_endo -74.96 37.2 0.46 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.473 1.775 . . . . 1.0 111.064 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 586' ' ' ASN . . . . . 0.746 ' O ' ' HG3' ' A' ' 603' ' ' MET . 12.9 m-20 167.16 -48.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.424 1.077 . . . . 1.0 109.335 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 587' ' ' ARG . . . . . 0.574 ' HA ' ' HA ' ' A' ' 602' ' ' THR . 0.0 OUTLIER -98.88 -168.28 1.61 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.562 1.164 . . . . 1.0 110.309 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 588' ' ' LEU . . . . . 0.513 ' CD1' ' C ' ' A' ' 588' ' ' LEU . 0.0 OUTLIER 174.53 119.51 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.604 1.19 . . . . 1.0 109.325 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 589' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -131.79 173.07 11.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 1.0 110.297 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 590' ' ' TRP . . . . . 0.585 ' HB3' ' CG ' ' A' ' 581' ' ' PHE . 2.7 p-90 -151.11 132.0 14.18 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.542 1.151 . . . . 1.0 107.999 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.48 -178.05 5.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.573 1.17 . . . . 1.0 110.341 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . 138.7 -140.05 10.72 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.535 1.147 . . . . 1.0 111.014 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -82.06 164.87 21.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 0.796 . . . . 1.0 110.272 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 594' ' ' GLY . . . . . 0.4 ' O ' ' CB ' ' A' ' 595' ' ' GLU . . . 76.94 -54.36 3.44 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.408 1.068 . . . . 1.0 110.931 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 595' ' ' GLU . . . . . 0.4 ' CB ' ' O ' ' A' ' 594' ' ' GLY . 0.6 OUTLIER 79.22 177.93 0.12 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.463 0.743 . . . . 1.0 110.332 -179.94 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . -160.11 157.89 25.62 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 1.0 109.294 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 597' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.12 -23.07 13.96 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.484 1.781 . . . . 1.0 110.922 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 598' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -154.7 119.44 4.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.366 1.041 . . . . 1.0 110.33 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 599' ' ' SER . . . . . 0.463 ' HB2' ' CD1' ' A' ' 590' ' ' TRP . 81.6 p -149.27 44.55 0.96 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.448 1.093 . . . . 1.0 109.94 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 600' ' ' LEU . . . . . 0.453 ' CD1' ' C ' ' A' ' 600' ' ' LEU . 2.0 tm? -139.57 102.39 4.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 1.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -127.7 168.77 14.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.152 . . . . 1.0 109.216 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 602' ' ' THR . . . . . 0.574 ' HA ' ' HA ' ' A' ' 587' ' ' ARG . 0.2 OUTLIER -109.01 -146.52 0.4 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 1.0 110.37 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 603' ' ' MET . . . . . 0.746 ' HG3' ' O ' ' A' ' 586' ' ' ASN . 0.0 OUTLIER -136.75 26.79 3.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 1.0 110.977 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -125.06 56.76 1.32 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 1.0 110.326 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 605' ' ' GLU . . . . . 0.486 ' O ' ' C ' ' A' ' 606' ' ' ILE . 2.8 pt-20 -158.26 -58.58 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 1.0 110.226 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 606' ' ' ILE . . . . . 0.928 ' CG2' ' CD2' ' A' ' 651' ' ' TYR . 1.3 mp -33.43 133.71 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 1.0 109.277 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 607' ' ' GLN . . . . . 0.468 ' CG ' ' CB ' ' A' ' 625' ' ' ARG . 0.0 OUTLIER -88.85 -37.07 15.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.57 1.168 . . . . 1.0 110.199 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -174.52 137.41 0.49 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 1.0 109.969 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 609' ' ' VAL . . . . . 0.569 ' CG2' ' CD ' ' A' ' 644' ' ' LYS . 3.6 p -106.36 141.79 20.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.595 1.184 . . . . 1.0 109.343 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 610' ' ' GLU . . . . . 0.5 ' HG3' ' CD2' ' A' ' 621' ' ' LEU . 0.4 OUTLIER -159.1 -165.85 1.7 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 1.0 110.273 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 611' ' ' GLU . . . . . 0.499 ' CG ' ' O ' ' A' ' 619' ' ' CYS . 21.4 tt0 -146.23 144.65 30.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 1.0 110.254 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 612' ' ' THR . . . . . 0.551 ' C ' ' HB3' ' A' ' 618' ' ' LYS . 0.0 OUTLIER -106.58 164.81 11.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 1.0 110.404 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -129.53 161.68 29.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.408 1.068 . . . . 1.0 110.274 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 614' ' ' ILE . . . . . 0.755 ' O ' ' CG2' ' A' ' 614' ' ' ILE . 0.0 OUTLIER -146.42 83.28 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.579 1.174 . . . . 1.0 109.299 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 615' ' ' LYS . . . . . 0.45 ' HB3' ' O ' ' A' ' 614' ' ' ILE . 1.7 ttpm? 81.28 -31.97 0.11 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.503 1.127 . . . . 1.0 109.305 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 616' ' ' GLU . . . . . 0.439 ' H ' ' C ' ' A' ' 614' ' ' ILE . 2.2 tt0 -156.56 -48.55 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.422 1.076 . . . . 1.0 110.309 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 617' ' ' ARG . . . . . 0.588 ' CZ ' ' OD1' ' A' ' 637' ' ' ASP . 1.9 ttt180 -157.74 137.81 12.5 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.437 1.086 . . . . 1.0 110.307 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 618' ' ' LYS . . . . . 0.551 ' HB3' ' C ' ' A' ' 612' ' ' THR . 8.6 tptt -115.67 -96.5 0.46 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.59 1.181 . . . . 1.0 109.237 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 619' ' ' CYS . . . . . 0.499 ' O ' ' CG ' ' A' ' 611' ' ' GLU . 1.7 m -158.2 -174.87 5.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.559 1.162 . . . . 1.0 108.264 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 620' ' ' LEU . . . . . 0.622 HD11 ' CD1' ' A' ' 640' ' ' LEU . 0.2 OUTLIER -95.91 153.37 17.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.396 1.06 . . . . 1.0 109.298 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 621' ' ' LEU . . . . . 0.5 ' CD2' ' HG3' ' A' ' 610' ' ' GLU . 1.1 tp -112.36 157.54 20.88 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.543 1.152 . . . . 1.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 622' ' ' LEU . . . . . 0.508 ' CD2' ' HE2' ' A' ' 651' ' ' TYR . 9.0 mt -154.87 86.66 1.12 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 1.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 623' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.43 135.21 33.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.552 1.157 . . . . 1.0 109.328 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 624' ' ' ILE . . . . . 0.771 ' HA ' ' HA ' ' A' ' 606' ' ' ILE . 36.3 mt -104.42 142.21 18.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.445 1.091 . . . . 1.0 109.262 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 625' ' ' ARG . . . . . 0.468 ' CB ' ' CG ' ' A' ' 607' ' ' GLN . 0.4 OUTLIER -78.8 3.55 16.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 1.0 110.349 179.892 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 626' ' ' GLY . . . . . 0.437 ' H ' ' CG2' ' A' ' 624' ' ' ILE . . . -88.03 -25.25 32.24 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.501 1.126 . . . . 1.0 111.018 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 121.26 40.66 0.54 Allowed Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.987 -0.845 . . . . 1.0 110.987 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 628' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.53 172.5 13.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 0.789 . . . . 1.0 109.268 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 5.2 mp0 -144.73 152.69 40.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 1.0 110.311 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 630' ' ' PHE . . . . . 0.658 ' CD1' ' HE2' ' A' ' 567' ' ' LYS . 0.8 OUTLIER -136.37 159.75 40.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 1.0 110.961 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 631' ' ' ILE . . . . . 0.461 ' O ' ' CG2' ' A' ' 631' ' ' ILE . 0.2 OUTLIER -144.68 108.29 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.613 1.195 . . . . 1.0 109.295 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 632' ' ' LEU . . . . . 0.53 ' CD1' HD21 ' A' ' 620' ' ' LEU . 0.6 OUTLIER -84.07 151.76 24.76 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.389 1.055 . . . . 1.0 109.296 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 633' ' ' GLN . . . . . 0.495 ' HB2' ' SG ' ' A' ' 619' ' ' CYS . 52.2 tt0 -148.86 100.62 3.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.098 . . . . 1.0 110.339 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 634' ' ' CYS . . . . . . . . . . . . . 5.5 t -115.39 159.86 20.58 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.545 1.153 . . . . 1.0 108.317 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 635' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -82.94 -16.35 47.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 1.0 109.362 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 636' ' ' SER . . . . . 0.601 ' HB2' ' HB2' ' A' ' 639' ' ' GLU . 13.4 m -92.95 150.81 20.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 1.0 110.011 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 637' ' ' ASP . . . . . 0.677 ' N ' ' CD ' ' A' ' 638' ' ' PRO . 0.4 OUTLIER -90.13 -41.96 0.41 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 1.0 109.275 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 638' ' ' PRO . . . . . 0.677 ' CD ' ' N ' ' A' ' 637' ' ' ASP . 18.5 Cg_endo -75.02 -54.91 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.541 1.811 . . . . 1.0 110.99 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 639' ' ' GLU . . . . . 0.601 ' HB2' ' HB2' ' A' ' 636' ' ' SER . 74.0 mm-40 -24.8 -79.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 1.0 110.297 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 640' ' ' LEU . . . . . 0.622 ' CD1' HD11 ' A' ' 620' ' ' LEU . 0.1 OUTLIER -50.15 -47.82 54.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.405 1.066 . . . . 1.0 109.278 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 641' ' ' VAL . . . . . 0.516 ' CG1' ' N ' ' A' ' 642' ' ' GLN . 0.8 OUTLIER -44.94 -57.88 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 1.0 109.337 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 642' ' ' GLN . . . . . 0.529 ' HB3' ' CE ' ' A' ' 561' ' ' MET . 0.8 OUTLIER -63.07 -38.94 93.17 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.53 1.144 . . . . 1.0 110.324 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 643' ' ' TRP . . . . . 0.689 ' CZ3' ' HB2' ' A' ' 583' ' ' LEU . 14.8 m95 -55.23 -47.16 75.78 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 107.948 -1.131 . . . . 1.0 107.948 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 644' ' ' LYS . . . . . 0.587 ' HA ' ' HB2' ' A' ' 647' ' ' LEU . 1.8 ttpt -54.69 -56.52 18.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 1.0 109.302 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 645' ' ' LYS . . . . . 0.404 ' HD3' ' C ' ' A' ' 645' ' ' LYS . 0.1 OUTLIER -41.02 -52.07 3.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 1.0 109.242 -179.91 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 646' ' ' GLU . . . . . 0.595 ' HG3' ' CG2' ' A' ' 560' ' ' ILE . 0.2 OUTLIER -71.02 -31.45 67.94 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.513 1.133 . . . . 1.0 110.256 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 647' ' ' LEU . . . . . 0.603 ' HG ' HD12 ' A' ' 583' ' ' LEU . 0.5 OUTLIER -70.77 -61.86 1.61 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.548 1.155 . . . . 1.0 109.249 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 648' ' ' ARG . . . . . 0.533 ' N ' ' O ' ' A' ' 644' ' ' LYS . 7.4 ttp180 -39.0 -54.28 1.69 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.452 1.095 . . . . 1.0 110.341 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 649' ' ' ASP . . . . . 0.42 ' O ' ' N ' ' A' ' 653' ' ' GLU . 0.2 OUTLIER -61.86 -51.44 68.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 1.0 109.319 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 650' ' ' ALA . . . . . 0.505 ' O ' ' SD ' ' A' ' 603' ' ' MET . . . -43.96 -51.05 7.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.145 . . . . 1.0 109.339 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 651' ' ' TYR . . . . . 0.928 ' CD2' ' CG2' ' A' ' 606' ' ' ILE . 12.4 m-30 -71.01 -41.52 70.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 1.0 110.953 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 652' ' ' ARG . . . . . 0.465 ' O ' ' N ' ' A' ' 655' ' ' GLN . 2.5 mmt180 -60.62 -63.34 1.33 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.411 1.069 . . . . 1.0 110.295 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 653' ' ' GLU . . . . . 0.485 ' HA ' ' CG ' ' A' ' 656' ' ' GLN . 1.5 mp0 -40.3 -53.11 2.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 1.0 110.361 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 654' ' ' ALA . . . . . 0.492 ' HB1' ' O ' ' A' ' 603' ' ' MET . . . -48.48 -42.35 32.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 1.0 109.222 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 655' ' ' GLN . . . . . 0.465 ' N ' ' O ' ' A' ' 652' ' ' ARG . 27.1 mt-30 -63.73 -67.86 0.39 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.489 1.118 . . . . 1.0 110.281 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 656' ' ' GLN . . . . . 0.485 ' CG ' ' HA ' ' A' ' 653' ' ' GLU . 10.7 pt20 -50.99 -22.2 2.16 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.512 1.133 . . . . 1.0 110.246 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 657' ' ' LEU . . . . . 0.453 ' CD1' ' HG3' ' A' ' 656' ' ' GLN . 7.7 mp -86.95 -29.06 22.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 1.0 109.294 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 658' ' ' VAL . . . . . 0.461 ' N ' ' O ' ' A' ' 655' ' ' GLN . 0.8 OUTLIER -106.33 16.01 6.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.568 1.168 . . . . 1.0 109.317 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 659' ' ' GLN . . . . . 0.465 ' N ' ' O ' ' A' ' 655' ' ' GLN . 0.0 OUTLIER -84.71 46.78 1.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 1.0 110.31 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 660' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -86.72 15.8 5.36 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.509 1.131 . . . . 1.0 110.216 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 661' ' ' VAL . . . . . . . . . . . . . 8.8 p -95.06 116.9 66.79 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.451 1.095 . . . . 1.0 109.324 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 662' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 139.13 23.9 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.559 1.821 . . . . 1.0 111.006 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 20.9 ttpp -70.53 -64.57 0.87 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 1.0 109.29 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 664' ' ' MET . . . . . . . . . . . . . 1.7 mtp -66.69 162.98 20.04 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.482 1.113 . . . . 1.0 110.994 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 3.8 mtpt -71.69 77.16 0.84 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 1.0 109.232 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 666' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -99.08 56.19 1.03 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.577 1.173 . . . . 1.0 109.198 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . 0.509 ' CB ' ' HD3' ' A' ' 668' ' ' PRO . 0.2 OUTLIER -81.75 -59.64 0.43 Allowed Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.49 1.118 . . . . 1.0 109.305 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 668' ' ' PRO . . . . . 0.509 ' HD3' ' CB ' ' A' ' 667' ' ' LYS . 18.4 Cg_endo -75.05 -30.36 7.17 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.425 1.75 . . . . 1.0 110.991 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 73.81 -57.61 0.62 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.428 1.08 . . . . 1.0 110.296 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.103 0 CA-C-O 117.023 -1.465 . . . . 1.0 109.986 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 559' ' ' CYS . . . . . . . . . . . . . 43.2 t . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 108.328 -0.99 . . . . 1.0 108.328 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 560' ' ' ILE . . . . . 0.76 HG22 ' HG2' ' A' ' 646' ' ' GLU . 3.6 mt -79.26 -60.87 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 1.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 561' ' ' MET . . . . . 0.473 ' SD ' ' CD1' ' A' ' 643' ' ' TRP . 0.0 OUTLIER -134.94 132.6 38.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 1.0 111.003 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 562' ' ' HIS . . . . . . . . . . . . . 5.3 p-80 -142.72 156.81 45.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 1.0 109.564 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 563' ' ' GLY . . . . . 0.478 ' O ' ' CD1' ' A' ' 580' ' ' TYR . . . 148.42 -157.41 27.3 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.537 1.148 . . . . 1.0 110.985 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 564' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -88.9 127.71 35.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.519 0.776 . . . . 1.0 110.982 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 565' ' ' MET . . . . . 0.556 ' CE ' ' CE3' ' A' ' 643' ' ' TRP . 0.0 OUTLIER -142.9 123.62 14.16 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 1.0 111.02 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 566' ' ' SER . . . . . 0.48 ' OG ' ' O ' ' A' ' 633' ' ' GLN . 0.4 OUTLIER -93.02 127.41 38.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 1.0 109.997 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 567' ' ' LYS . . . . . 0.477 ' HA ' ' O ' ' A' ' 631' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.438 1.086 . . . . 1.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 578' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.302 -0.259 . . . . 1.0 110.302 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 579' ' ' ARG . . . . . 0.537 ' O ' ' O ' ' A' ' 565' ' ' MET . 7.8 mtt180 -137.35 156.43 48.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 1.0 110.313 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 580' ' ' TYR . . . . . 0.478 ' CD1' ' O ' ' A' ' 563' ' ' GLY . 0.4 OUTLIER -91.52 124.39 35.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 1.0 111.01 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 581' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -122.77 174.88 6.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 1.0 110.991 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 582' ' ' TYR . . . . . 0.57 ' O ' ' HA ' ' A' ' 588' ' ' LEU . 88.9 m-85 -149.4 113.97 5.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 1.0 111.009 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 583' ' ' LEU . . . . . 0.82 HD12 ' HG ' ' A' ' 647' ' ' LEU . 0.7 OUTLIER -87.75 111.69 21.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 1.0 109.331 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 584' ' ' PHE . . . . . 0.601 ' CD2' ' HD2' ' A' ' 585' ' ' PRO . 0.2 OUTLIER -99.13 -177.14 0.55 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 1.0 110.994 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 585' ' ' PRO . . . . . 0.601 ' HD2' ' CD2' ' A' ' 584' ' ' PHE . 18.3 Cg_endo -74.99 -6.08 17.61 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.502 1.791 . . . . 1.0 111.005 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 586' ' ' ASN . . . . . 0.619 ' HA ' ' CG ' ' A' ' 603' ' ' MET . 45.3 m-80 -165.58 -38.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 1.0 109.278 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 587' ' ' ARG . . . . . 0.553 ' HA ' ' HA ' ' A' ' 602' ' ' THR . 0.1 OUTLIER -90.18 -168.9 2.25 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.473 1.108 . . . . 1.0 110.286 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 588' ' ' LEU . . . . . 0.57 ' HA ' ' O ' ' A' ' 582' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 1.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.336 -0.616 . . . . 1.0 109.336 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 602' ' ' THR . . . . . 0.553 ' HA ' ' HA ' ' A' ' 587' ' ' ARG . 0.0 OUTLIER -123.74 -159.68 0.87 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 1.0 110.365 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 603' ' ' MET . . . . . 0.619 ' CG ' ' HA ' ' A' ' 586' ' ' ASN . 0.1 OUTLIER -131.74 38.5 3.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 1.0 111.008 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 604' ' ' GLU . . . . . 0.461 ' HB3' ' HB1' ' A' ' 654' ' ' ALA . 8.2 pt-20 -125.43 59.0 1.27 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 1.0 110.285 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 605' ' ' GLU . . . . . 0.545 ' O ' ' C ' ' A' ' 606' ' ' ILE . 2.6 pt-20 -158.05 -53.9 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 1.0 110.301 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 606' ' ' ILE . . . . . 1.194 HG21 ' CD2' ' A' ' 651' ' ' TYR . 0.9 OUTLIER -29.46 136.98 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 1.0 109.285 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 607' ' ' GLN . . . . . 0.563 ' HG2' ' CB ' ' A' ' 625' ' ' ARG . 0.0 OUTLIER -89.16 -39.95 13.23 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.496 1.123 . . . . 1.0 110.297 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 3.1 m -173.72 134.29 0.48 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 1.0 110.022 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 609' ' ' VAL . . . . . 1.048 HG22 ' CD ' ' A' ' 644' ' ' LYS . 3.6 p -107.11 135.36 45.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 1.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 610' ' ' GLU . . . . . 0.903 ' HG3' HD23 ' A' ' 621' ' ' LEU . 0.4 OUTLIER -161.31 169.22 22.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 1.0 110.292 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 611' ' ' GLU . . . . . 0.671 ' HA ' ' HA ' ' A' ' 620' ' ' LEU . 22.4 tt0 -120.88 146.87 46.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 1.0 110.257 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 612' ' ' THR . . . . . 0.638 HG23 ' HG3' ' A' ' 618' ' ' LYS . 1.2 t -107.32 161.71 14.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 1.0 110.384 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 613' ' ' GLN . . . . . 0.441 ' HA ' ' N ' ' A' ' 618' ' ' LYS . 12.6 mp0 -130.07 168.25 17.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 1.0 110.234 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 614' ' ' ILE . . . . . 0.75 HG22 ' O ' ' A' ' 614' ' ' ILE . 0.1 OUTLIER -149.31 86.38 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 1.0 109.257 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 615' ' ' LYS . . . . . 0.455 ' HB3' ' O ' ' A' ' 614' ' ' ILE . 15.3 tttt 82.13 -32.98 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 1.0 109.306 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 616' ' ' GLU . . . . . 0.441 ' H ' ' C ' ' A' ' 614' ' ' ILE . 0.9 OUTLIER -156.38 -50.42 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 1.0 110.306 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 3.9 ttt-85 -155.86 142.21 18.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 1.0 110.294 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 618' ' ' LYS . . . . . 0.638 ' HG3' HG23 ' A' ' 612' ' ' THR . 9.3 tptp -124.29 -98.55 0.42 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.474 1.109 . . . . 1.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 619' ' ' CYS . . . . . 0.449 ' HB3' ' O ' ' A' ' 632' ' ' LEU . 0.8 OUTLIER -155.96 175.81 13.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 1.0 108.291 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 620' ' ' LEU . . . . . 1.086 ' CD1' HD12 ' A' ' 640' ' ' LEU . 0.7 OUTLIER -89.54 167.21 13.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.15 . . . . 1.0 109.325 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 621' ' ' LEU . . . . . 0.903 HD23 ' HG3' ' A' ' 610' ' ' GLU . 0.3 OUTLIER -132.61 158.9 41.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 1.0 109.269 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 622' ' ' LEU . . . . . 0.871 HD21 ' CE2' ' A' ' 651' ' ' TYR . 0.3 OUTLIER -154.82 89.67 1.25 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 1.0 109.315 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 623' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.47 137.67 32.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 1.0 109.272 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 624' ' ' ILE . . . . . 0.974 HG22 ' H ' ' A' ' 626' ' ' GLY . 90.9 mt -102.55 143.95 14.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 1.0 109.305 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 625' ' ' ARG . . . . . 0.563 ' CB ' ' HG2' ' A' ' 607' ' ' GLN . 21.5 ptt180 -78.87 3.27 17.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 1.0 110.3 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 626' ' ' GLY . . . . . 0.974 ' H ' HG22 ' A' ' 624' ' ' ILE . . . -84.41 -25.64 42.5 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.496 1.123 . . . . 1.0 111.048 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 125.05 -1.86 8.4 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 110.973 -0.851 . . . . 1.0 110.973 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 628' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.91 163.54 12.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 0.77 . . . . 1.0 109.259 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -141.81 152.96 44.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 1.0 110.273 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 630' ' ' PHE . . . . . 0.458 ' HB3' ' CG ' ' A' ' 567' ' ' LYS . 20.6 m-85 -141.44 146.43 36.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 1.0 111.024 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 631' ' ' ILE . . . . . 0.499 ' CG2' ' O ' ' A' ' 631' ' ' ILE . 0.2 OUTLIER -105.37 112.53 39.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 1.0 109.321 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 632' ' ' LEU . . . . . 0.56 ' HG ' HD12 ' A' ' 622' ' ' LEU . 0.2 OUTLIER -83.01 137.54 34.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 1.0 109.295 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 633' ' ' GLN . . . . . 0.48 ' O ' ' OG ' ' A' ' 566' ' ' SER . 41.2 tt0 -157.13 136.91 12.38 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.502 1.126 . . . . 1.0 110.281 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 634' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -157.49 161.59 38.87 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 1.0 108.275 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 635' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.17 -20.45 37.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.095 . . . . 1.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 636' ' ' SER . . . . . 0.526 ' CB ' ' CG ' ' A' ' 639' ' ' GLU . 4.5 m -88.12 138.09 31.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 1.0 110.03 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 637' ' ' ASP . . . . . 0.679 ' N ' ' CD ' ' A' ' 638' ' ' PRO . 1.1 m-20 -82.87 -41.66 0.87 Allowed Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 1.0 109.339 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 638' ' ' PRO . . . . . 0.679 ' CD ' ' N ' ' A' ' 637' ' ' ASP . 18.2 Cg_endo -75.03 -54.37 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.511 1.795 . . . . 1.0 110.955 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 639' ' ' GLU . . . . . 0.538 ' C ' ' O ' ' A' ' 638' ' ' PRO . 20.6 mm-40 -26.95 -79.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 1.0 110.316 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 640' ' ' LEU . . . . . 1.086 HD12 ' CD1' ' A' ' 620' ' ' LEU . 0.2 OUTLIER -48.82 -46.1 41.42 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.475 1.11 . . . . 1.0 109.28 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 641' ' ' VAL . . . . . 0.624 HG12 ' N ' ' A' ' 642' ' ' GLN . 0.8 OUTLIER -46.69 -58.03 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 1.0 109.284 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 642' ' ' GLN . . . . . 0.624 ' N ' HG12 ' A' ' 641' ' ' VAL . 0.0 OUTLIER -62.14 -41.58 98.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.132 . . . . 1.0 110.27 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 643' ' ' TRP . . . . . 0.56 ' CZ3' ' HB2' ' A' ' 583' ' ' LEU . 20.0 m95 -53.35 -47.93 68.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 1.0 108.009 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 644' ' ' LYS . . . . . 1.048 ' CD ' HG22 ' A' ' 609' ' ' VAL . 0.0 OUTLIER -57.49 -62.55 1.7 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 1.0 109.28 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 645' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 644' ' ' LYS . 0.1 OUTLIER -37.44 -57.58 0.91 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.439 1.087 . . . . 1.0 109.34 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 646' ' ' GLU . . . . . 0.76 ' HG2' HG22 ' A' ' 560' ' ' ILE . 2.4 mp0 -68.84 -32.41 72.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 1.0 110.297 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 647' ' ' LEU . . . . . 0.923 HD22 ' OH ' ' A' ' 651' ' ' TYR . 10.9 mt -67.8 -62.09 1.57 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.437 1.086 . . . . 1.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 648' ' ' ARG . . . . . 0.577 ' N ' ' O ' ' A' ' 644' ' ' LYS . 9.1 ttp-105 -38.24 -55.47 1.32 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 1.0 110.27 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 649' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -59.09 -46.09 89.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 1.0 109.312 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 650' ' ' ALA . . . . . 0.548 ' O ' ' SD ' ' A' ' 603' ' ' MET . . . -48.34 -51.22 27.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 1.0 109.283 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 651' ' ' TYR . . . . . 1.194 ' CD2' HG21 ' A' ' 606' ' ' ILE . 2.1 m-30 -72.29 -38.83 68.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 1.0 110.994 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 652' ' ' ARG . . . . . 0.508 ' O ' ' HB2' ' A' ' 655' ' ' GLN . 0.0 OUTLIER -62.29 -64.55 0.89 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 1.0 110.282 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 653' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -44.01 -53.96 5.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 1.0 110.307 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 654' ' ' ALA . . . . . 0.58 ' HB2' ' HE3' ' A' ' 603' ' ' MET . . . -47.23 -38.6 12.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 1.0 109.288 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 655' ' ' GLN . . . . . 0.508 ' HB2' ' O ' ' A' ' 652' ' ' ARG . 60.9 mt-30 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 1.0 110.261 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 559' ' ' CYS . . . . . . . . . . . . . 2.9 t . . . . . 0 N--CA 1.454 -0.248 0 N-CA-C 108.279 -1.008 . . . . 1.0 108.279 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 560' ' ' ILE . . . . . 0.83 HD11 ' HA ' ' A' ' 585' ' ' PRO . 11.1 mt -101.44 -57.56 4.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 1.0 109.319 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 561' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -147.48 150.85 35.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 1.0 111.019 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 562' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -150.42 151.77 33.3 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.444 1.09 . . . . 1.0 109.638 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 563' ' ' GLY . . . . . 0.401 ' N ' ' HZ2' ' A' ' 643' ' ' TRP . . . 166.06 -163.5 36.84 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.534 1.146 . . . . 1.0 111.035 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 564' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -94.16 126.61 39.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 0.734 . . . . 1.0 110.991 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 565' ' ' MET . . . . . 0.734 ' SD ' HD22 ' A' ' 640' ' ' LEU . 20.8 mtm -144.44 148.64 34.85 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.476 1.11 . . . . 1.0 110.976 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 566' ' ' SER . . . . . 0.486 ' O ' ' N ' ' A' ' 633' ' ' GLN . 0.1 OUTLIER -112.51 133.1 54.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 1.0 109.959 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 567' ' ' LYS . . . . . 0.616 ' HD3' ' CD1' ' A' ' 630' ' ' PHE . 2.0 tmmt? . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 1.0 109.271 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 578' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.292 -0.262 . . . . 1.0 110.292 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 579' ' ' ARG . . . . . 0.579 ' O ' ' O ' ' A' ' 565' ' ' MET . 1.3 mtt180 -137.84 168.87 18.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 1.0 110.269 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 580' ' ' TYR . . . . . 0.624 ' CD1' ' CE1' ' A' ' 582' ' ' TYR . 0.8 OUTLIER -89.34 127.69 35.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.4 1.062 . . . . 1.0 110.989 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 581' ' ' PHE . . . . . 0.497 ' CZ ' ' HE3' ' A' ' 567' ' ' LYS . 2.7 m-85 -117.82 169.96 9.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 1.0 111.067 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 582' ' ' TYR . . . . . 0.624 ' CE1' ' CD1' ' A' ' 580' ' ' TYR . 39.8 m-85 -153.24 109.8 3.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 1.0 111.005 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 583' ' ' LEU . . . . . 0.93 HD12 ' HG ' ' A' ' 647' ' ' LEU . 1.0 OUTLIER -88.86 115.81 26.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 1.0 109.285 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 584' ' ' PHE . . . . . 0.578 ' CD2' ' HD2' ' A' ' 585' ' ' PRO . 0.3 OUTLIER -104.88 179.05 1.0 Allowed Pre-proline 0 C--N 1.324 -0.534 0 O-C-N 124.584 1.178 . . . . 1.0 110.931 -179.955 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 585' ' ' PRO . . . . . 0.83 ' HA ' HD11 ' A' ' 560' ' ' ILE . 18.6 Cg_endo -74.98 -2.03 12.0 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.42 1.748 . . . . 1.0 110.935 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 586' ' ' ASN . . . . . 0.812 ' O ' ' HG3' ' A' ' 603' ' ' MET . 1.7 m-80 -164.74 -41.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.421 1.075 . . . . 1.0 109.289 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 587' ' ' ARG . . . . . 0.58 ' HA ' ' HA ' ' A' ' 602' ' ' THR . 0.1 OUTLIER -91.36 -173.14 3.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 1.09 . . . . 1.0 110.327 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 588' ' ' LEU . . . . . 0.619 ' HA ' ' O ' ' A' ' 582' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.4 1.062 . . . . 1.0 109.311 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 601' ' ' LEU . . . . . 0.796 HD23 ' OE2' ' A' ' 605' ' ' GLU . 1.1 tp . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.266 -0.642 . . . . 1.0 109.266 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 602' ' ' THR . . . . . 0.8 HG22 ' O ' ' A' ' 586' ' ' ASN . 0.1 OUTLIER -114.29 -162.72 0.83 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 1.0 110.398 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 603' ' ' MET . . . . . 0.962 ' SD ' ' HB2' ' A' ' 654' ' ' ALA . 0.0 OUTLIER -123.77 39.16 4.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 1.0 111.045 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 604' ' ' GLU . . . . . 0.588 ' HB3' ' HB1' ' A' ' 654' ' ' ALA . 13.6 pt-20 -125.89 58.23 1.34 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.45 1.094 . . . . 1.0 110.231 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 605' ' ' GLU . . . . . 0.796 ' OE2' HD23 ' A' ' 601' ' ' LEU . 4.0 pt-20 -158.7 -53.55 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 1.0 110.254 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 606' ' ' ILE . . . . . 1.232 HG21 ' CD2' ' A' ' 651' ' ' TYR . 0.9 OUTLIER -32.43 139.41 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.437 1.086 . . . . 1.0 109.349 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 607' ' ' GLN . . . . . 0.585 ' HG3' ' HA ' ' A' ' 625' ' ' ARG . 0.6 OUTLIER -92.79 -37.67 12.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 1.0 110.335 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 608' ' ' SER . . . . . 0.422 ' HB2' ' HD3' ' A' ' 623' ' ' LYS . 3.4 m -174.05 135.24 0.47 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.383 1.052 . . . . 1.0 110.019 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 609' ' ' VAL . . . . . 0.941 HG22 ' CD ' ' A' ' 644' ' ' LYS . 3.2 p -109.34 138.98 34.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.539 1.149 . . . . 1.0 109.261 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 610' ' ' GLU . . . . . 0.827 ' HG3' HD23 ' A' ' 621' ' ' LEU . 0.1 OUTLIER -158.71 -163.71 1.3 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.631 1.207 . . . . 1.0 110.347 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 611' ' ' GLU . . . . . 0.561 ' HA ' ' HA ' ' A' ' 620' ' ' LEU . 21.2 tt0 -140.54 147.33 39.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.568 1.168 . . . . 1.0 110.324 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 612' ' ' THR . . . . . 0.811 HG23 ' HG3' ' A' ' 618' ' ' LYS . 0.0 OUTLIER -111.65 163.71 13.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 1.0 110.431 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 613' ' ' GLN . . . . . 0.402 ' HA ' ' N ' ' A' ' 618' ' ' LYS . 7.8 mp0 -129.56 165.39 21.8 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.548 1.155 . . . . 1.0 110.344 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 614' ' ' ILE . . . . . 0.778 HG22 ' O ' ' A' ' 614' ' ' ILE . 0.1 OUTLIER -148.87 83.95 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.569 1.168 . . . . 1.0 109.279 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 615' ' ' LYS . . . . . 0.432 ' HB2' ' O ' ' A' ' 614' ' ' ILE . 0.1 OUTLIER 81.51 -32.92 0.1 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.512 1.132 . . . . 1.0 109.242 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 616' ' ' GLU . . . . . 0.448 ' H ' ' C ' ' A' ' 614' ' ' ILE . 3.0 tt0 -156.92 -47.95 0.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.581 1.176 . . . . 1.0 110.296 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 617' ' ' ARG . . . . . 0.524 ' CZ ' ' OD2' ' A' ' 637' ' ' ASP . 1.2 ttt180 -156.09 138.95 15.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.133 . . . . 1.0 110.215 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 618' ' ' LYS . . . . . 0.811 ' HG3' HG23 ' A' ' 612' ' ' THR . 7.5 tptt -119.2 -98.2 0.45 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.153 . . . . 1.0 109.267 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 619' ' ' CYS . . . . . 0.497 ' HB3' ' O ' ' A' ' 632' ' ' LEU . 39.4 m -156.6 -171.42 3.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.571 1.17 . . . . 1.0 108.286 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 620' ' ' LEU . . . . . 1.04 HD13 ' CD1' ' A' ' 640' ' ' LEU . 0.1 OUTLIER -96.66 147.35 23.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.595 1.184 . . . . 1.0 109.263 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 621' ' ' LEU . . . . . 0.827 HD23 ' HG3' ' A' ' 610' ' ' GLU . 7.1 tp -102.37 156.95 17.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 1.0 109.369 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 622' ' ' LEU . . . . . 0.907 HD12 HD11 ' A' ' 632' ' ' LEU . 0.7 OUTLIER -160.25 84.6 0.72 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.57 1.169 . . . . 1.0 109.365 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 623' ' ' LYS . . . . . 0.422 ' HD3' ' HB2' ' A' ' 608' ' ' SER . 0.0 OUTLIER -90.23 136.18 33.21 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.546 1.154 . . . . 1.0 109.272 -179.946 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 624' ' ' ILE . . . . . 0.889 HD13 HG13 ' A' ' 606' ' ' ILE . 1.7 mm -98.68 143.94 12.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.431 1.082 . . . . 1.0 109.266 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 625' ' ' ARG . . . . . 0.585 ' HA ' ' HG3' ' A' ' 607' ' ' GLN . 0.0 OUTLIER -78.51 3.46 15.93 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.432 1.082 . . . . 1.0 110.306 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 626' ' ' GLY . . . . . 0.849 ' H ' HG22 ' A' ' 624' ' ' ILE . . . -87.03 -29.81 21.97 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.526 1.141 . . . . 1.0 110.955 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 133.36 -6.52 4.98 Favored Glycine 0 CA--C 1.531 1.045 0 N-CA-C 111.029 -0.828 . . . . 1.0 111.029 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 628' ' ' LYS . . . . . . . . . . . . . 21.4 mtmt -98.67 167.15 10.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 0.753 . . . . 1.0 109.259 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -140.33 142.32 35.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 1.0 110.247 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 630' ' ' PHE . . . . . 0.616 ' CD1' ' HD3' ' A' ' 567' ' ' LYS . 0.5 OUTLIER -132.7 159.38 39.82 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.574 1.171 . . . . 1.0 111.001 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 631' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -137.87 125.05 28.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.382 1.051 . . . . 1.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 632' ' ' LEU . . . . . 0.907 HD11 HD12 ' A' ' 622' ' ' LEU . 0.4 OUTLIER -93.52 152.01 19.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 1.0 109.305 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 633' ' ' GLN . . . . . 0.486 ' N ' ' O ' ' A' ' 566' ' ' SER . 8.0 tp60 -155.34 114.92 3.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.098 . . . . 1.0 110.35 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 634' ' ' CYS . . . . . 0.596 ' HB2' HD23 ' A' ' 640' ' ' LEU . 0.2 OUTLIER -126.35 159.74 32.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.159 . . . . 1.0 108.328 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 635' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.77 -22.29 46.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 1.0 109.226 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 636' ' ' SER . . . . . 0.569 ' HB2' ' CG ' ' A' ' 639' ' ' GLU . 1.5 m -90.14 157.03 17.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 1.0 109.99 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 637' ' ' ASP . . . . . 0.693 ' N ' ' CD ' ' A' ' 638' ' ' PRO . 0.3 OUTLIER -91.77 -40.86 0.37 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 1.0 109.337 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 638' ' ' PRO . . . . . 0.693 ' CD ' ' N ' ' A' ' 637' ' ' ASP . 18.5 Cg_endo -74.99 -55.54 0.07 OUTLIER 'Trans proline' 0 C--N 1.358 1.07 0 O-C-N 124.485 1.781 . . . . 1.0 111.04 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 639' ' ' GLU . . . . . 0.584 ' C ' ' O ' ' A' ' 638' ' ' PRO . 13.8 mm-40 -23.05 -83.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 1.0 110.336 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 640' ' ' LEU . . . . . 1.04 ' CD1' HD13 ' A' ' 620' ' ' LEU . 0.2 OUTLIER -47.83 -46.72 31.22 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.537 1.148 . . . . 1.0 109.349 179.927 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 641' ' ' VAL . . . . . 0.61 HG12 ' N ' ' A' ' 642' ' ' GLN . 0.8 OUTLIER -46.23 -57.3 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 1.0 109.331 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 642' ' ' GLN . . . . . 0.61 ' N ' HG12 ' A' ' 641' ' ' VAL . 0.0 OUTLIER -63.68 -41.45 98.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 1.0 110.24 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 643' ' ' TRP . . . . . 0.533 ' CZ3' ' CB ' ' A' ' 583' ' ' LEU . 19.5 m95 -53.66 -46.2 70.51 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.567 1.167 . . . . 1.0 108.007 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 644' ' ' LYS . . . . . 0.941 ' CD ' HG22 ' A' ' 609' ' ' VAL . 0.1 OUTLIER -56.18 -59.08 5.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 1.0 109.291 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 645' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 644' ' ' LYS . 0.1 OUTLIER -38.9 -54.38 1.65 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 1.0 109.292 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 646' ' ' GLU . . . . . 0.617 ' HG2' HG22 ' A' ' 560' ' ' ILE . 0.2 OUTLIER -70.06 -35.11 74.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.588 1.18 . . . . 1.0 110.346 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 647' ' ' LEU . . . . . 0.93 ' HG ' HD12 ' A' ' 583' ' ' LEU . 5.4 mt -65.65 -60.39 2.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 1.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 648' ' ' ARG . . . . . 0.529 ' N ' ' O ' ' A' ' 644' ' ' LYS . 2.5 ttm180 -39.58 -51.91 2.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 1.0 110.291 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 649' ' ' ASP . . . . . 0.492 ' O ' ' N ' ' A' ' 653' ' ' GLU . 12.7 t0 -61.36 -42.07 98.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 1.0 109.352 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 650' ' ' ALA . . . . . 0.513 ' HB1' ' CB ' ' A' ' 603' ' ' MET . . . -53.28 -53.69 47.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 1.0 109.325 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 651' ' ' TYR . . . . . 1.232 ' CD2' HG21 ' A' ' 606' ' ' ILE . 5.9 m-30 -67.93 -29.38 68.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 1.0 110.972 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 652' ' ' ARG . . . . . 0.533 ' O ' ' HG2' ' A' ' 655' ' ' GLN . 0.0 OUTLIER -76.57 -70.73 0.43 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 1.0 110.273 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 653' ' ' GLU . . . . . 0.492 ' N ' ' O ' ' A' ' 649' ' ' ASP . 34.1 mt-10 -36.25 -33.17 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.424 1.077 . . . . 1.0 110.286 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 654' ' ' ALA . . . . . 0.962 ' HB2' ' SD ' ' A' ' 603' ' ' MET . . . -79.01 -51.04 10.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.087 . . . . 1.0 109.245 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 655' ' ' GLN . . . . . 0.533 ' HG2' ' O ' ' A' ' 652' ' ' ARG . 1.1 pt20 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.103 . . . . 1.0 110.185 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 559' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 108.349 -0.982 . . . . 1.0 108.349 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 560' ' ' ILE . . . . . 0.617 HD11 ' HA ' ' A' ' 585' ' ' PRO . 7.5 mt -84.61 -53.97 9.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.449 1.093 . . . . 1.0 109.32 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 561' ' ' MET . . . . . 0.51 ' HB2' ' OE1' ' A' ' 646' ' ' GLU . 0.0 OUTLIER -140.63 162.36 35.58 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.618 1.199 . . . . 1.0 111.034 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 562' ' ' HIS . . . . . . . . . . . . . 2.6 p80 -155.79 174.72 14.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.099 . . . . 1.0 109.626 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 563' ' ' GLY . . . . . . . . . . . . . . . 132.37 -161.49 23.93 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.441 1.088 . . . . 1.0 111.019 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 564' ' ' TYR . . . . . 0.402 ' HE1' ' CA ' ' A' ' 579' ' ' ARG . 0.2 OUTLIER -91.47 127.64 36.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.583 0.814 . . . . 1.0 111.024 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 565' ' ' MET . . . . . 0.588 ' O ' ' O ' ' A' ' 579' ' ' ARG . 0.0 OUTLIER -143.67 131.57 21.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 1.0 111.018 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 566' ' ' SER . . . . . 0.427 ' HB2' ' HA ' ' A' ' 578' ' ' ARG . 0.2 OUTLIER -105.78 140.03 39.45 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.591 1.182 . . . . 1.0 109.978 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 567' ' ' LYS . . . . . 0.597 ' HD3' ' CD1' ' A' ' 630' ' ' PHE . 0.8 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 1.0 109.242 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 578' ' ' ARG . . . . . 0.427 ' HA ' ' HB2' ' A' ' 566' ' ' SER . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.314 -0.254 . . . . 1.0 110.314 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 579' ' ' ARG . . . . . 0.588 ' O ' ' O ' ' A' ' 565' ' ' MET . 18.3 mtp180 -135.33 164.93 26.62 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.61 1.194 . . . . 1.0 110.332 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 580' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -89.08 129.3 35.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 1.0 110.92 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 581' ' ' PHE . . . . . 0.485 ' HB2' ' HB2' ' A' ' 565' ' ' MET . 2.7 m-85 -118.15 175.46 5.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.144 . . . . 1.0 111.048 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 582' ' ' TYR . . . . . 0.516 ' O ' ' HA ' ' A' ' 588' ' ' LEU . 60.6 m-85 -152.84 122.46 6.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 1.0 110.974 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 583' ' ' LEU . . . . . 0.773 ' HB2' ' CZ3' ' A' ' 643' ' ' TRP . 5.5 tp -92.59 114.65 27.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.147 . . . . 1.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 584' ' ' PHE . . . . . 0.556 ' HB2' ' C ' ' A' ' 587' ' ' ARG . 7.3 m-85 -106.58 172.59 3.76 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.419 1.075 . . . . 1.0 110.997 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 585' ' ' PRO . . . . . 0.667 ' O ' ' HE1' ' A' ' 603' ' ' MET . 18.1 Cg_endo -75.03 8.81 2.26 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.541 1.811 . . . . 1.0 111.007 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 586' ' ' ASN . . . . . 0.759 ' HA ' ' CG ' ' A' ' 603' ' ' MET . 39.1 m-20 -176.72 -38.81 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.524 1.14 . . . . 1.0 109.338 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 587' ' ' ARG . . . . . 0.649 ' HA ' ' HA ' ' A' ' 602' ' ' THR . 2.6 mtt-85 -87.91 -168.66 2.29 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 1.0 110.254 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 588' ' ' LEU . . . . . 0.519 ' C ' HD12 ' A' ' 588' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 1.0 109.348 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 4.0 mt . . . . . 0 N--CA 1.452 -0.37 0 N-CA-C 109.312 -0.625 . . . . 1.0 109.312 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 602' ' ' THR . . . . . 0.702 HG22 ' O ' ' A' ' 586' ' ' ASN . 0.0 OUTLIER -114.23 -167.35 1.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 1.0 110.356 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 603' ' ' MET . . . . . 0.759 ' CG ' ' HA ' ' A' ' 586' ' ' ASN . 0.1 OUTLIER -127.05 34.78 4.69 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.399 1.062 . . . . 1.0 111.023 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 604' ' ' GLU . . . . . 0.659 ' HB3' ' HB1' ' A' ' 654' ' ' ALA . 3.9 pt-20 -124.84 60.96 1.17 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.44 1.088 . . . . 1.0 110.361 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 605' ' ' GLU . . . . . 0.494 ' O ' ' C ' ' A' ' 606' ' ' ILE . 3.7 pt-20 -159.29 -51.04 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.117 . . . . 1.0 110.271 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 606' ' ' ILE . . . . . 1.271 HG21 ' CD2' ' A' ' 651' ' ' TYR . 0.9 OUTLIER -33.84 142.28 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.549 1.156 . . . . 1.0 109.298 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 607' ' ' GLN . . . . . 0.622 ' HG2' ' CB ' ' A' ' 625' ' ' ARG . 0.0 OUTLIER -93.75 -38.94 11.02 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.524 1.14 . . . . 1.0 110.27 -179.931 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -173.46 136.76 0.61 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 1.0 109.901 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 609' ' ' VAL . . . . . 0.917 HG22 ' CD ' ' A' ' 644' ' ' LYS . 5.3 p -109.96 141.47 25.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 1.0 109.332 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 610' ' ' GLU . . . . . 0.888 ' CD ' HD23 ' A' ' 621' ' ' LEU . 0.4 OUTLIER -161.16 -169.65 2.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 1.0 110.306 -179.937 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 611' ' ' GLU . . . . . 0.618 ' HA ' ' HA ' ' A' ' 620' ' ' LEU . 26.2 tt0 -137.83 149.07 46.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.153 . . . . 1.0 110.328 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 612' ' ' THR . . . . . 0.832 HG23 ' HG3' ' A' ' 618' ' ' LYS . 0.0 OUTLIER -114.74 165.99 12.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 1.0 110.339 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 613' ' ' GLN . . . . . 0.4 ' CA ' ' HB3' ' A' ' 618' ' ' LYS . 10.7 mp0 -133.57 160.9 36.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 1.0 110.337 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 614' ' ' ILE . . . . . 0.785 HG22 ' O ' ' A' ' 614' ' ' ILE . 0.2 OUTLIER -144.84 86.09 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 O-C-N 124.562 1.164 . . . . 1.0 109.282 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 615' ' ' LYS . . . . . 0.412 ' CB ' ' O ' ' A' ' 614' ' ' ILE . 10.5 mmtm 81.9 -35.37 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.432 1.082 . . . . 1.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 616' ' ' GLU . . . . . 0.44 ' H ' ' C ' ' A' ' 614' ' ' ILE . 1.4 tt0 -155.6 -48.73 0.08 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.45 1.094 . . . . 1.0 110.288 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 5.6 ttt85 -153.41 138.11 16.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.57 1.169 . . . . 1.0 110.343 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 618' ' ' LYS . . . . . 0.832 ' HG3' HG23 ' A' ' 612' ' ' THR . 9.3 tptt -118.83 -97.52 0.46 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.438 1.086 . . . . 1.0 109.242 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 619' ' ' CYS . . . . . 0.498 ' O ' ' CG ' ' A' ' 611' ' ' GLU . 18.0 m -158.36 -169.77 2.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 1.0 108.251 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 620' ' ' LEU . . . . . 1.057 HD13 HD12 ' A' ' 640' ' ' LEU . 0.1 OUTLIER -102.94 148.33 25.81 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.541 1.151 . . . . 1.0 109.299 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 621' ' ' LEU . . . . . 0.888 HD23 ' CD ' ' A' ' 610' ' ' GLU . 4.9 tp -103.5 156.54 17.69 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.486 1.116 . . . . 1.0 109.306 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 622' ' ' LEU . . . . . 0.885 HD12 HD11 ' A' ' 632' ' ' LEU . 0.9 OUTLIER -157.14 84.37 0.93 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.449 1.093 . . . . 1.0 109.305 179.934 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 623' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.28 138.26 31.59 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.534 1.146 . . . . 1.0 109.349 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 624' ' ' ILE . . . . . 0.925 HG22 ' H ' ' A' ' 626' ' ' GLY . 35.9 mt -103.99 145.02 13.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 1.0 109.233 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 625' ' ' ARG . . . . . 0.622 ' CB ' ' HG2' ' A' ' 607' ' ' GLN . 5.0 ptm180 -79.91 2.17 24.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 1.0 110.338 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 626' ' ' GLY . . . . . 0.925 ' H ' HG22 ' A' ' 624' ' ' ILE . . . -89.49 -21.33 41.1 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.492 1.12 . . . . 1.0 110.993 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 116.99 43.52 0.61 Allowed Glycine 0 CA--C 1.53 0.986 0 N-CA-C 110.976 -0.85 . . . . 1.0 110.976 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 628' ' ' LYS . . . . . . . . . . . . . 11.9 mttt -139.56 171.38 14.32 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.478 0.752 . . . . 1.0 109.303 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 15.9 mp0 -149.91 126.86 11.15 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.51 1.131 . . . . 1.0 110.337 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 630' ' ' PHE . . . . . 0.597 ' CD1' ' HD3' ' A' ' 567' ' ' LYS . 1.0 OUTLIER -123.53 167.78 13.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.425 1.078 . . . . 1.0 111.044 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 631' ' ' ILE . . . . . 0.503 ' O ' ' HG2' ' A' ' 567' ' ' LYS . 0.2 OUTLIER -144.64 115.67 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 1.0 109.248 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 632' ' ' LEU . . . . . 0.885 HD11 HD12 ' A' ' 622' ' ' LEU . 0.5 OUTLIER -84.03 154.28 23.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.563 1.165 . . . . 1.0 109.276 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 633' ' ' GLN . . . . . 0.448 ' CG ' ' C ' ' A' ' 632' ' ' LEU . 13.9 mt-30 -154.39 133.42 12.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 1.0 110.326 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 634' ' ' CYS . . . . . . . . . . . . . 1.6 t -155.45 162.53 40.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.535 1.147 . . . . 1.0 108.271 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 635' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -84.17 -16.68 42.61 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.112 . . . . 1.0 109.329 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 636' ' ' SER . . . . . 0.598 ' CB ' ' CG ' ' A' ' 639' ' ' GLU . 1.0 OUTLIER -86.93 133.66 33.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 1.0 109.941 -179.892 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 637' ' ' ASP . . . . . 0.662 ' N ' ' CD ' ' A' ' 638' ' ' PRO . 1.2 m-20 -78.29 -43.12 2.11 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.428 1.08 . . . . 1.0 109.319 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 638' ' ' PRO . . . . . 0.662 ' CD ' ' N ' ' A' ' 637' ' ' ASP . 18.0 Cg_endo -75.01 -51.18 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.592 1.838 . . . . 1.0 110.998 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 639' ' ' GLU . . . . . 0.598 ' CG ' ' CB ' ' A' ' 636' ' ' SER . 58.9 mm-40 -26.52 -80.66 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.487 1.117 . . . . 1.0 110.339 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 640' ' ' LEU . . . . . 1.057 HD12 HD13 ' A' ' 620' ' ' LEU . 0.2 OUTLIER -49.89 -45.37 50.67 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.489 1.118 . . . . 1.0 109.343 179.941 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 641' ' ' VAL . . . . . 0.62 HG12 ' N ' ' A' ' 642' ' ' GLN . 0.8 OUTLIER -47.24 -58.0 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.529 1.143 . . . . 1.0 109.29 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 642' ' ' GLN . . . . . 0.62 ' N ' HG12 ' A' ' 641' ' ' VAL . 1.1 tt0 -64.8 -38.5 91.19 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.55 1.156 . . . . 1.0 110.187 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 643' ' ' TRP . . . . . 0.773 ' CZ3' ' HB2' ' A' ' 583' ' ' LEU . 20.6 m95 -57.45 -41.65 80.93 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 1.0 108.049 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 644' ' ' LYS . . . . . 0.917 ' CD ' HG22 ' A' ' 609' ' ' VAL . 0.0 OUTLIER -60.15 -57.1 14.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 1.0 109.365 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 645' ' ' LYS . . . . . 0.401 ' C ' ' HD3' ' A' ' 645' ' ' LYS . 0.1 OUTLIER -40.7 -51.26 3.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 1.0 109.332 179.942 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 646' ' ' GLU . . . . . 0.635 ' CB ' HD23 ' A' ' 583' ' ' LEU . 5.5 mt-10 -75.54 -33.49 60.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 1.0 110.21 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 647' ' ' LEU . . . . . 0.673 ' CD2' HD11 ' A' ' 583' ' ' LEU . 2.5 mt -65.99 -64.18 0.92 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.441 1.088 . . . . 1.0 109.263 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 648' ' ' ARG . . . . . 0.527 ' N ' ' O ' ' A' ' 644' ' ' LYS . 6.1 ttt180 -43.6 -47.81 7.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 1.0 110.285 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 649' ' ' ASP . . . . . 0.542 ' O ' ' N ' ' A' ' 653' ' ' GLU . 12.4 t70 -65.08 -48.72 72.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.614 1.196 . . . . 1.0 109.242 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 650' ' ' ALA . . . . . 0.703 ' HB1' ' SD ' ' A' ' 603' ' ' MET . . . -46.97 -40.84 15.18 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.499 1.124 . . . . 1.0 109.257 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 651' ' ' TYR . . . . . 1.271 ' CD2' HG21 ' A' ' 606' ' ' ILE . 12.5 m-30 -80.17 -42.6 23.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 1.0 111.02 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 652' ' ' ARG . . . . . 0.503 ' CD ' ' HA ' ' A' ' 649' ' ' ASP . 0.1 OUTLIER -67.53 -37.43 82.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.086 . . . . 1.0 110.325 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 653' ' ' GLU . . . . . 0.542 ' N ' ' O ' ' A' ' 649' ' ' ASP . 1.1 tt0 -68.39 -38.19 81.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 1.0 110.332 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 654' ' ' ALA . . . . . 0.659 ' HB1' ' HB3' ' A' ' 604' ' ' GLU . . . -77.09 -54.24 6.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 1.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 655' ' ' GLN . . . . . 0.462 ' HG2' ' O ' ' A' ' 652' ' ' ARG . 10.9 pt20 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 1.0 110.317 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 559' ' ' CYS . . . . . . . . . . . . . 3.5 t . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 108.294 -1.002 . . . . 1.0 108.294 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 560' ' ' ILE . . . . . 0.756 HD11 ' HA ' ' A' ' 585' ' ' PRO . 37.9 mt -95.53 -68.07 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 1.0 109.348 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 561' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -135.72 149.5 49.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 1.0 111.011 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 562' ' ' HIS . . . . . . . . . . . . . 5.8 p80 -140.61 165.36 27.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.417 1.073 . . . . 1.0 109.708 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 563' ' ' GLY . . . . . . . . . . . . . . . 148.33 -164.34 29.0 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.461 1.1 . . . . 1.0 110.996 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 564' ' ' TYR . . . . . 0.408 ' OH ' ' NE ' ' A' ' 578' ' ' ARG . 0.2 OUTLIER -96.32 126.78 41.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 0.75 . . . . 1.0 110.945 -179.942 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 565' ' ' MET . . . . . 0.54 ' HB2' ' HB2' ' A' ' 581' ' ' PHE . 0.0 OUTLIER -140.39 133.1 28.91 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.511 1.132 . . . . 1.0 111.022 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 566' ' ' SER . . . . . 0.655 ' OG ' ' O ' ' A' ' 633' ' ' GLN . 9.0 p -111.22 127.56 55.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.581 1.175 . . . . 1.0 109.975 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 567' ' ' LYS . . . . . 0.615 ' HD2' ' CD2' ' A' ' 630' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 1.0 109.254 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 578' ' ' ARG . . . . . 0.522 ' HA ' ' HB2' ' A' ' 566' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.294 -0.261 . . . . 1.0 110.294 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 579' ' ' ARG . . . . . 0.447 ' O ' ' O ' ' A' ' 565' ' ' MET . 42.5 mtt180 -155.02 -178.17 7.05 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.506 1.129 . . . . 1.0 110.301 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 580' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -88.39 131.22 34.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.432 1.083 . . . . 1.0 111.035 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 581' ' ' PHE . . . . . 0.54 ' HB2' ' HB2' ' A' ' 565' ' ' MET . 4.1 m-85 -117.69 165.99 12.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 1.0 111.052 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 582' ' ' TYR . . . . . 0.515 ' O ' ' HA ' ' A' ' 588' ' ' LEU . 4.4 m-85 -146.4 116.8 7.48 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.534 1.146 . . . . 1.0 110.982 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 583' ' ' LEU . . . . . 0.694 ' HB2' ' CZ3' ' A' ' 643' ' ' TRP . 5.7 tp -91.2 116.01 28.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 1.0 109.38 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 584' ' ' PHE . . . . . 0.623 ' O ' HD12 ' A' ' 560' ' ' ILE . 0.6 OUTLIER -108.65 174.19 2.58 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 1.0 110.966 -179.92 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 585' ' ' PRO . . . . . 0.756 ' HA ' HD11 ' A' ' 560' ' ' ILE . 18.1 Cg_endo -75.02 -1.43 11.22 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.521 1.801 . . . . 1.0 110.99 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 586' ' ' ASN . . . . . 0.816 ' O ' HG22 ' A' ' 602' ' ' THR . 3.2 m120 -165.81 -40.49 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 1.0 109.24 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 587' ' ' ARG . . . . . 0.541 ' HA ' ' HA ' ' A' ' 602' ' ' THR . 2.5 mtp180 -90.08 -167.73 1.92 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 1.0 110.283 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 588' ' ' LEU . . . . . 0.515 ' HA ' ' O ' ' A' ' 582' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.52 0 O-C-N 124.417 1.073 . . . . 1.0 109.385 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.369 -0.604 . . . . 1.0 109.369 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 602' ' ' THR . . . . . 0.816 HG22 ' O ' ' A' ' 586' ' ' ASN . 0.1 OUTLIER -118.12 -160.43 0.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 1.0 110.414 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 603' ' ' MET . . . . . 0.727 ' CE ' ' HB2' ' A' ' 654' ' ' ALA . 0.1 OUTLIER -137.42 37.1 2.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.103 . . . . 1.0 111.058 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -125.26 57.46 1.31 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.435 1.084 . . . . 1.0 110.317 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 605' ' ' GLU . . . . . 0.522 ' O ' ' C ' ' A' ' 606' ' ' ILE . 3.9 pt-20 -158.77 -55.52 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 1.0 110.276 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 606' ' ' ILE . . . . . 1.219 HG21 ' CD2' ' A' ' 651' ' ' TYR . 0.9 OUTLIER -30.93 137.42 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 1.0 109.293 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 607' ' ' GLN . . . . . 0.523 ' HG2' ' CB ' ' A' ' 625' ' ' ARG . 0.0 OUTLIER -87.73 -39.49 14.91 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 1.0 110.27 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 1.5 m -174.81 135.32 0.38 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 1.0 110.03 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 609' ' ' VAL . . . . . 0.928 HG22 ' CD ' ' A' ' 644' ' ' LYS . 3.1 p -107.63 140.81 24.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.463 1.102 . . . . 1.0 109.23 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 610' ' ' GLU . . . . . 0.882 ' HG3' HD23 ' A' ' 621' ' ' LEU . 0.2 OUTLIER -158.51 -167.92 2.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 1.0 110.331 179.945 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 611' ' ' GLU . . . . . 0.65 ' HA ' ' HA ' ' A' ' 620' ' ' LEU . 27.4 tt0 -140.37 149.02 42.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.389 1.056 . . . . 1.0 110.333 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 612' ' ' THR . . . . . 0.817 HG23 ' HG3' ' A' ' 618' ' ' LYS . 0.0 OUTLIER -115.23 164.79 13.72 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.546 1.154 . . . . 1.0 110.397 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 11.1 mp0 -128.54 163.92 23.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 1.0 110.341 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 614' ' ' ILE . . . . . 0.778 HG22 ' O ' ' A' ' 614' ' ' ILE . 0.1 OUTLIER -148.16 83.19 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.414 1.071 . . . . 1.0 109.347 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 615' ' ' LYS . . . . . 0.436 ' HB3' ' O ' ' A' ' 614' ' ' ILE . 9.0 ttmt 81.39 -33.13 0.1 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.438 1.087 . . . . 1.0 109.252 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 616' ' ' GLU . . . . . 0.451 ' H ' ' C ' ' A' ' 614' ' ' ILE . 1.9 tt0 -156.77 -47.67 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 1.0 110.298 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 12.2 ttt-85 -156.49 137.69 13.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.581 1.175 . . . . 1.0 110.245 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 618' ' ' LYS . . . . . 0.817 ' HG3' HG23 ' A' ' 612' ' ' THR . 2.1 tptt -117.66 -98.05 0.46 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 1.0 109.264 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 619' ' ' CYS . . . . . 0.484 ' O ' ' CG ' ' A' ' 611' ' ' GLU . 25.5 m -157.35 -173.19 4.3 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.587 1.179 . . . . 1.0 108.316 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 620' ' ' LEU . . . . . 0.828 HD13 ' CG ' ' A' ' 640' ' ' LEU . 0.2 OUTLIER -102.9 138.15 40.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 1.0 109.362 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 621' ' ' LEU . . . . . 0.882 HD23 ' HG3' ' A' ' 610' ' ' GLU . 3.8 tp -91.46 161.04 15.14 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.536 1.147 . . . . 1.0 109.279 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 622' ' ' LEU . . . . . 0.849 HD21 ' HE2' ' A' ' 651' ' ' TYR . 0.6 OUTLIER -161.8 83.42 0.59 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 1.0 109.34 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 623' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.18 138.52 31.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.523 1.139 . . . . 1.0 109.313 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 624' ' ' ILE . . . . . 0.943 HG22 ' H ' ' A' ' 626' ' ' GLY . 62.8 mt -102.62 145.66 11.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 1.0 109.36 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 625' ' ' ARG . . . . . 0.523 ' CB ' ' HG2' ' A' ' 607' ' ' GLN . 0.1 OUTLIER -79.05 2.69 19.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.388 1.055 . . . . 1.0 110.327 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 626' ' ' GLY . . . . . 0.943 ' H ' HG22 ' A' ' 624' ' ' ILE . . . -91.67 -23.02 29.47 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.454 1.096 . . . . 1.0 111.057 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 117.86 47.49 0.44 Allowed Glycine 0 CA--C 1.531 1.032 0 N-CA-C 111.008 -0.837 . . . . 1.0 111.008 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 628' ' ' LYS . . . . . . . . . . . . . 3.8 mtmt -144.47 168.99 18.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 0.765 . . . . 1.0 109.254 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -142.64 130.83 22.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.592 1.183 . . . . 1.0 110.333 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 630' ' ' PHE . . . . . 0.615 ' CD2' ' HD2' ' A' ' 567' ' ' LYS . 1.5 m-85 -126.36 150.24 48.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.437 1.086 . . . . 1.0 111.004 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 631' ' ' ILE . . . . . 0.494 ' HA ' ' O ' ' A' ' 620' ' ' LEU . 0.1 OUTLIER -129.75 117.78 42.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 1.0 109.408 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 632' ' ' LEU . . . . . 0.809 HD11 HD12 ' A' ' 622' ' ' LEU . 1.1 mp -92.47 160.28 15.14 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.495 1.122 . . . . 1.0 109.335 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 633' ' ' GLN . . . . . 0.655 ' O ' ' OG ' ' A' ' 566' ' ' SER . 11.2 tp60 -158.03 125.05 4.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.438 1.087 . . . . 1.0 110.339 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 634' ' ' CYS . . . . . 0.628 ' SG ' HD23 ' A' ' 640' ' ' LEU . 15.5 p -130.55 153.26 49.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 1.0 108.405 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 635' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -80.93 -12.83 59.33 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.149 . . . . 1.0 109.241 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 636' ' ' SER . . . . . 0.517 ' CB ' ' HG3' ' A' ' 639' ' ' GLU . 0.5 OUTLIER -91.8 165.79 13.09 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.555 1.159 . . . . 1.0 109.978 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 637' ' ' ASP . . . . . 0.535 ' N ' ' CD ' ' A' ' 638' ' ' PRO . 0.2 OUTLIER -94.92 -51.06 0.25 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.565 1.166 . . . . 1.0 109.276 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 638' ' ' PRO . . . . . 0.57 ' O ' ' C ' ' A' ' 639' ' ' GLU . 18.4 Cg_endo -74.97 -45.51 0.28 Allowed 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.538 1.81 . . . . 1.0 110.917 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 639' ' ' GLU . . . . . 0.57 ' C ' ' O ' ' A' ' 638' ' ' PRO . 4.6 mt-10 -23.81 -73.04 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.587 1.179 . . . . 1.0 110.311 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 640' ' ' LEU . . . . . 0.828 ' CG ' HD13 ' A' ' 620' ' ' LEU . 0.2 OUTLIER -57.03 -52.2 66.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 1.0 109.262 -179.92 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 641' ' ' VAL . . . . . 0.537 HG12 ' N ' ' A' ' 642' ' ' GLN . 0.5 OUTLIER -40.69 -53.76 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.562 1.164 . . . . 1.0 109.324 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 642' ' ' GLN . . . . . 0.537 ' N ' HG12 ' A' ' 641' ' ' VAL . 2.3 mp0 -69.9 -41.87 74.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 1.0 110.305 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 643' ' ' TRP . . . . . 0.73 ' O ' HD12 ' A' ' 647' ' ' LEU . 16.2 m95 -55.46 -41.12 72.48 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.492 1.12 . . . . 1.0 108.038 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 644' ' ' LYS . . . . . 0.928 ' CD ' HG22 ' A' ' 609' ' ' VAL . 0.0 OUTLIER -65.14 -57.56 8.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 1.0 109.367 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 8.4 tmtm? -42.03 -54.56 3.49 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.558 1.161 . . . . 1.0 109.337 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 646' ' ' GLU . . . . . 0.474 ' HB3' HD23 ' A' ' 583' ' ' LEU . 1.5 mp0 -70.23 -26.33 63.81 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 1.0 110.3 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 647' ' ' LEU . . . . . 0.73 HD12 ' O ' ' A' ' 643' ' ' TRP . 0.4 OUTLIER -72.96 -62.59 1.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 1.0 109.275 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 648' ' ' ARG . . . . . 0.524 ' O ' ' CG ' ' A' ' 652' ' ' ARG . 0.9 OUTLIER -40.0 -52.49 2.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.625 1.203 . . . . 1.0 110.337 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 649' ' ' ASP . . . . . 0.455 ' O ' ' N ' ' A' ' 653' ' ' GLU . 27.2 t70 -58.06 -47.44 83.16 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 1.0 109.3 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 650' ' ' ALA . . . . . 0.499 ' HB1' ' SD ' ' A' ' 603' ' ' MET . . . -48.98 -57.27 6.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.566 1.166 . . . . 1.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 651' ' ' TYR . . . . . 1.219 ' CD2' HG21 ' A' ' 606' ' ' ILE . 13.9 m-30 -67.16 -27.07 66.99 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.466 1.104 . . . . 1.0 110.975 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 652' ' ' ARG . . . . . 0.581 ' O ' ' N ' ' A' ' 655' ' ' GLN . 10.1 mmm180 -74.47 -67.96 0.58 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.423 1.077 . . . . 1.0 110.358 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 653' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 649' ' ' ASP . 13.3 mt-10 -44.29 -30.44 0.81 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 1.0 110.347 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 654' ' ' ALA . . . . . 0.727 ' HB2' ' CE ' ' A' ' 603' ' ' MET . . . -74.88 -34.49 62.23 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 1.0 109.37 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 655' ' ' GLN . . . . . 0.581 ' N ' ' O ' ' A' ' 652' ' ' ARG . 3.5 pt20 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 1.0 110.35 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 559' ' ' CYS . . . . . . . . . . . . . 5.4 t . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 108.271 -1.011 . . . . 1.0 108.271 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 560' ' ' ILE . . . . . 0.898 HD11 ' HA ' ' A' ' 585' ' ' PRO . 40.9 mt -99.63 -66.05 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.477 1.11 . . . . 1.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 561' ' ' MET . . . . . 0.419 ' SD ' ' OE2' ' A' ' 646' ' ' GLU . 0.0 OUTLIER -138.13 131.51 30.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 1.0 110.956 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 562' ' ' HIS . . . . . . . . . . . . . 6.3 p80 -127.57 161.16 29.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 1.0 109.602 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 563' ' ' GLY . . . . . . . . . . . . . . . 153.75 -163.11 30.71 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.487 1.117 . . . . 1.0 111.047 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 564' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -94.31 125.65 39.08 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.5 0.765 . . . . 1.0 110.948 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 565' ' ' MET . . . . . 0.718 ' SD ' HD22 ' A' ' 640' ' ' LEU . 0.2 OUTLIER -139.57 145.74 38.99 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.485 1.116 . . . . 1.0 111.058 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 566' ' ' SER . . . . . 0.559 ' OG ' ' HG3' ' A' ' 633' ' ' GLN . 0.6 OUTLIER -113.87 145.68 41.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 1.0 110.064 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 567' ' ' LYS . . . . . 0.783 ' HE3' HD22 ' A' ' 632' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 1.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 578' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 110.275 -0.268 . . . . 1.0 110.275 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 579' ' ' ARG . . . . . 0.573 ' O ' ' O ' ' A' ' 565' ' ' MET . 44.5 mtp180 -130.45 165.65 22.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 1.0 110.329 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 580' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -88.29 127.61 35.47 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 1.0 110.991 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 581' ' ' PHE . . . . . 0.488 ' CE1' ' O ' ' A' ' 565' ' ' MET . 55.2 m-85 -124.54 169.91 11.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.154 . . . . 1.0 110.996 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 582' ' ' TYR . . . . . 0.551 ' CA ' ' HH2' ' A' ' 643' ' ' TRP . 32.4 m-85 -146.91 121.99 10.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 1.0 110.984 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 583' ' ' LEU . . . . . 0.818 ' HB2' ' CZ3' ' A' ' 643' ' ' TRP . 8.1 tp -90.5 112.71 24.47 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.501 1.126 . . . . 1.0 109.318 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 584' ' ' PHE . . . . . 0.547 ' O ' HD12 ' A' ' 560' ' ' ILE . 0.6 OUTLIER -104.55 170.51 5.97 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 1.0 111.025 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 585' ' ' PRO . . . . . 0.898 ' HA ' HD11 ' A' ' 560' ' ' ILE . 18.3 Cg_endo -75.0 7.34 2.91 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.474 1.776 . . . . 1.0 111.042 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 586' ' ' ASN . . . . . 0.716 ' HA ' ' CG ' ' A' ' 603' ' ' MET . 14.3 m120 -170.65 -44.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 1.0 109.292 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 587' ' ' ARG . . . . . 0.584 ' HA ' ' HA ' ' A' ' 602' ' ' THR . 3.5 mtp85 -88.53 -170.99 3.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.55 1.157 . . . . 1.0 110.374 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 588' ' ' LEU . . . . . 0.508 ' C ' HD12 ' A' ' 588' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 1.0 109.3 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.327 -0.62 . . . . 1.0 109.327 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 602' ' ' THR . . . . . 0.605 HG22 ' O ' ' A' ' 586' ' ' ASN . 0.0 OUTLIER -120.58 -165.18 1.17 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 1.0 110.363 -179.945 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 603' ' ' MET . . . . . 0.791 ' SD ' ' HB1' ' A' ' 650' ' ' ALA . 0.8 OUTLIER -127.38 38.52 4.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 1.0 111.036 -179.941 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -125.95 58.53 1.34 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.534 1.146 . . . . 1.0 110.331 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 605' ' ' GLU . . . . . 0.553 ' HG3' HD12 ' A' ' 606' ' ' ILE . 3.2 pt-20 -159.0 -57.7 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 1.0 110.309 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 606' ' ' ILE . . . . . 1.22 HG21 ' CD2' ' A' ' 651' ' ' TYR . 1.3 mp -34.94 140.44 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 1.0 109.35 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 607' ' ' GLN . . . . . 0.54 ' HG2' ' CB ' ' A' ' 625' ' ' ARG . 0.0 OUTLIER -91.87 -36.12 13.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 1.0 110.259 -179.929 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 608' ' ' SER . . . . . 0.401 ' HB2' ' HD3' ' A' ' 623' ' ' LYS . 2.2 m -174.0 132.53 0.42 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.576 1.172 . . . . 1.0 109.995 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 609' ' ' VAL . . . . . 1.1 HG22 ' CD ' ' A' ' 644' ' ' LYS . 1.7 p -106.03 128.98 59.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 1.0 109.343 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 610' ' ' GLU . . . . . 0.851 ' CD ' HD23 ' A' ' 621' ' ' LEU . 0.2 OUTLIER -146.87 -168.83 3.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 1.0 110.23 -179.917 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 611' ' ' GLU . . . . . 0.589 ' HA ' ' HA ' ' A' ' 620' ' ' LEU . 23.3 tt0 -140.45 146.91 38.86 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.57 1.169 . . . . 1.0 110.305 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 612' ' ' THR . . . . . 0.879 HG23 ' HG3' ' A' ' 618' ' ' LYS . 0.1 OUTLIER -112.15 164.18 13.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 1.0 110.413 -179.932 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -129.52 162.21 28.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 1.0 110.29 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 614' ' ' ILE . . . . . 0.795 HG22 ' O ' ' A' ' 614' ' ' ILE . 0.1 OUTLIER -145.74 84.12 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 1.0 109.331 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 615' ' ' LYS . . . . . 0.406 ' CB ' ' O ' ' A' ' 614' ' ' ILE . 0.9 OUTLIER 82.33 -34.52 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 1.0 109.257 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 616' ' ' GLU . . . . . 0.424 ' H ' ' C ' ' A' ' 614' ' ' ILE . 0.8 OUTLIER -156.36 -47.07 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 1.0 110.39 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -155.99 136.69 13.37 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.389 1.055 . . . . 1.0 110.29 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 618' ' ' LYS . . . . . 0.879 ' HG3' HG23 ' A' ' 612' ' ' THR . 0.4 OUTLIER -117.1 -98.27 0.45 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 1.0 109.35 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 619' ' ' CYS . . . . . 0.457 ' O ' ' CG ' ' A' ' 611' ' ' GLU . 57.2 m -156.35 -173.86 4.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 1.0 108.278 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 620' ' ' LEU . . . . . 1.099 HD13 HD12 ' A' ' 640' ' ' LEU . 0.2 OUTLIER -102.51 145.55 29.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 1.0 109.301 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 621' ' ' LEU . . . . . 0.851 HD23 ' CD ' ' A' ' 610' ' ' GLU . 1.7 tp -105.42 162.89 13.06 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.489 1.118 . . . . 1.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 622' ' ' LEU . . . . . 1.098 HD13 HD21 ' A' ' 632' ' ' LEU . 0.2 OUTLIER -163.58 78.48 0.42 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.543 1.152 . . . . 1.0 109.346 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 623' ' ' LYS . . . . . 0.401 ' HD3' ' HB2' ' A' ' 608' ' ' SER . 0.0 OUTLIER -78.25 140.17 38.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.56 1.162 . . . . 1.0 109.253 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 624' ' ' ILE . . . . . 0.954 HG22 ' H ' ' A' ' 626' ' ' GLY . 82.4 mt -102.26 145.85 11.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.13 . . . . 1.0 109.315 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 625' ' ' ARG . . . . . 0.54 ' CB ' ' HG2' ' A' ' 607' ' ' GLN . 5.4 ptm180 -77.61 2.92 15.08 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.43 1.081 . . . . 1.0 110.292 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 626' ' ' GLY . . . . . 0.954 ' H ' HG22 ' A' ' 624' ' ' ILE . . . -90.22 -18.55 49.39 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.58 1.175 . . . . 1.0 111.003 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 113.12 32.97 2.06 Favored Glycine 0 CA--C 1.53 0.972 0 N-CA-C 111.079 -0.808 . . . . 1.0 111.079 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 628' ' ' LYS . . . . . 0.489 ' HB2' HD12 ' A' ' 624' ' ' ILE . 3.8 mmtt -130.51 176.01 8.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 0.76 . . . . 1.0 109.341 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -146.32 151.25 37.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 1.0 110.332 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 630' ' ' PHE . . . . . 0.497 ' CE1' ' HD3' ' A' ' 567' ' ' LYS . 0.5 OUTLIER -140.22 147.91 40.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.573 1.171 . . . . 1.0 111.052 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 631' ' ' ILE . . . . . 0.576 ' O ' HG22 ' A' ' 631' ' ' ILE . 0.0 OUTLIER -136.22 106.15 5.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.519 1.137 . . . . 1.0 109.337 179.939 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 632' ' ' LEU . . . . . 1.098 HD21 HD13 ' A' ' 622' ' ' LEU . 0.2 OUTLIER -116.66 161.8 18.64 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.531 1.144 . . . . 1.0 109.219 -179.905 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 633' ' ' GLN . . . . . 0.559 ' HG3' ' OG ' ' A' ' 566' ' ' SER . 1.7 pp0? -144.34 175.78 9.84 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.462 1.101 . . . . 1.0 110.334 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 634' ' ' CYS . . . . . 0.72 ' HB2' HD23 ' A' ' 640' ' ' LEU . 0.8 OUTLIER -155.97 157.76 36.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 1.0 108.27 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 635' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -82.29 -22.18 35.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 1.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 636' ' ' SER . . . . . 0.459 ' CB ' ' HB2' ' A' ' 639' ' ' GLU . 0.5 OUTLIER -89.81 154.38 19.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 1.0 109.942 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 637' ' ' ASP . . . . . 0.59 ' N ' ' CD ' ' A' ' 638' ' ' PRO . 0.2 OUTLIER -84.64 -47.6 0.66 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.158 . . . . 1.0 109.301 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 638' ' ' PRO . . . . . 0.59 ' CD ' ' N ' ' A' ' 637' ' ' ASP . 18.1 Cg_endo -74.99 -51.75 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.544 1.813 . . . . 1.0 110.89 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 639' ' ' GLU . . . . . 0.558 ' C ' ' O ' ' A' ' 638' ' ' PRO . 13.0 mm-40 -24.23 -81.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.089 . . . . 1.0 110.273 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 640' ' ' LEU . . . . . 1.099 HD12 HD13 ' A' ' 620' ' ' LEU . 0.1 OUTLIER -51.0 -47.07 61.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.105 . . . . 1.0 109.276 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 641' ' ' VAL . . . . . 0.597 HG12 ' N ' ' A' ' 642' ' ' GLN . 0.7 OUTLIER -45.04 -56.64 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.551 1.157 . . . . 1.0 109.353 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 642' ' ' GLN . . . . . 0.597 ' N ' HG12 ' A' ' 641' ' ' VAL . 0.6 OUTLIER -64.94 -38.4 90.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 1.0 110.336 179.894 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 643' ' ' TRP . . . . . 0.84 ' O ' HD12 ' A' ' 647' ' ' LEU . 28.6 m95 -58.01 -40.06 79.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.133 . . . . 1.0 108.03 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 644' ' ' LYS . . . . . 1.1 ' CD ' HG22 ' A' ' 609' ' ' VAL . 0.0 OUTLIER -65.44 -58.95 4.6 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.48 1.112 . . . . 1.0 109.327 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 10.8 tmtt? -41.26 -50.57 3.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 1.0 109.227 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 646' ' ' GLU . . . . . 0.688 ' CB ' HD23 ' A' ' 583' ' ' LEU . 0.3 OUTLIER -71.31 -32.86 69.12 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.474 1.109 . . . . 1.0 110.33 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 647' ' ' LEU . . . . . 0.84 HD12 ' O ' ' A' ' 643' ' ' TRP . 1.0 OUTLIER -67.76 -61.22 1.98 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 1.0 109.311 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 648' ' ' ARG . . . . . 0.455 ' N ' ' O ' ' A' ' 644' ' ' LYS . 0.1 OUTLIER -41.56 -54.98 3.03 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.515 1.134 . . . . 1.0 110.27 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 649' ' ' ASP . . . . . 0.443 ' HA ' ' HB2' ' A' ' 652' ' ' ARG . 29.0 t0 -60.6 -47.6 85.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 1.0 109.304 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 650' ' ' ALA . . . . . 0.791 ' HB1' ' SD ' ' A' ' 603' ' ' MET . . . -47.34 -55.02 9.61 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.566 1.166 . . . . 1.0 109.329 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 651' ' ' TYR . . . . . 1.22 ' CD2' HG21 ' A' ' 606' ' ' ILE . 22.2 m-30 -68.03 -28.53 67.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 1.0 110.965 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 652' ' ' ARG . . . . . 0.534 ' O ' ' N ' ' A' ' 655' ' ' GLN . 41.1 mtp180 -73.46 -68.77 0.47 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 1.0 110.244 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 653' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 649' ' ' ASP . 7.5 mt-10 -43.86 -29.81 0.6 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 1.0 110.308 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -71.81 -38.25 70.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.434 1.083 . . . . 1.0 109.311 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 655' ' ' GLN . . . . . 0.534 ' N ' ' O ' ' A' ' 652' ' ' ARG . 3.9 pt20 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.406 1.066 . . . . 1.0 110.339 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 559' ' ' CYS . . . . . . . . . . . . . 19.9 t . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 108.281 -1.007 . . . . 1.0 108.281 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 560' ' ' ILE . . . . . 0.814 HD11 ' HA ' ' A' ' 585' ' ' PRO . 29.6 mt -85.18 -62.53 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.522 1.139 . . . . 1.0 109.326 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 561' ' ' MET . . . . . 0.465 ' SD ' ' OE2' ' A' ' 646' ' ' GLU . 0.0 OUTLIER -131.0 135.73 47.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.616 1.197 . . . . 1.0 111.044 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 562' ' ' HIS . . . . . . . . . . . . . 7.0 p-80 -135.98 173.77 11.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 1.0 109.575 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 563' ' ' GLY . . . . . 0.464 ' O ' ' CD1' ' A' ' 580' ' ' TYR . . . 135.93 -172.91 22.11 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.526 1.142 . . . . 1.0 111.013 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 564' ' ' TYR . . . . . 0.454 ' CE1' ' HD3' ' A' ' 578' ' ' ARG . 0.6 OUTLIER -90.09 125.32 35.38 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.507 0.769 . . . . 1.0 110.95 -179.92 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 565' ' ' MET . . . . . 0.602 ' SD ' HD22 ' A' ' 640' ' ' LEU . 0.0 OUTLIER -131.49 -163.13 1.29 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 1.0 110.939 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 566' ' ' SER . . . . . 0.439 ' OG ' ' HB3' ' A' ' 633' ' ' GLN . 0.6 OUTLIER -160.68 140.19 10.79 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.511 1.132 . . . . 1.0 109.998 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 567' ' ' LYS . . . . . 0.614 ' HD2' ' CD1' ' A' ' 630' ' ' PHE . 2.2 tmpt? . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.574 1.172 . . . . 1.0 109.279 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 578' ' ' ARG . . . . . 0.454 ' HD3' ' CE1' ' A' ' 564' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.324 -0.251 . . . . 1.0 110.324 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 579' ' ' ARG . . . . . 0.541 ' O ' ' O ' ' A' ' 565' ' ' MET . 1.5 mtt-85 -135.63 158.61 43.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 1.0 110.266 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 580' ' ' TYR . . . . . 0.464 ' CD1' ' O ' ' A' ' 563' ' ' GLY . 0.3 OUTLIER -87.08 129.71 34.8 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.521 1.138 . . . . 1.0 111.068 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 581' ' ' PHE . . . . . 0.513 ' HB3' ' CH2' ' A' ' 643' ' ' TRP . 1.7 m-85 -114.57 169.78 8.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.423 1.077 . . . . 1.0 111.101 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 582' ' ' TYR . . . . . 0.451 ' O ' ' HA ' ' A' ' 588' ' ' LEU . 8.7 m-85 -149.99 110.82 4.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 1.0 110.986 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 583' ' ' LEU . . . . . 0.823 ' HB2' ' CZ3' ' A' ' 643' ' ' TRP . 8.8 tp -88.78 111.23 21.77 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.633 1.208 . . . . 1.0 109.229 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 584' ' ' PHE . . . . . 0.504 ' CD2' ' HD2' ' A' ' 585' ' ' PRO . 0.4 OUTLIER -96.97 171.24 6.26 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 1.0 111.073 179.925 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 585' ' ' PRO . . . . . 0.814 ' HA ' HD11 ' A' ' 560' ' ' ILE . 18.0 Cg_endo -75.03 9.38 2.06 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.419 1.747 . . . . 1.0 111.04 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 586' ' ' ASN . . . . . 0.657 ' O ' ' CG ' ' A' ' 603' ' ' MET . 77.0 m-20 -169.14 -46.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 1.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 587' ' ' ARG . . . . . 0.657 ' HA ' ' HA ' ' A' ' 602' ' ' THR . 2.9 mtp180 -91.9 -171.07 2.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 1.0 110.323 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 588' ' ' LEU . . . . . 0.827 ' C ' HD12 ' A' ' 588' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.53 0 O-C-N 124.539 1.15 . . . . 1.0 109.339 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 601' ' ' LEU . . . . . 0.684 HD11 ' CD2' ' A' ' 588' ' ' LEU . 4.2 pp . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.278 -0.638 . . . . 1.0 109.278 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 602' ' ' THR . . . . . 0.657 ' HA ' ' HA ' ' A' ' 587' ' ' ARG . 0.2 OUTLIER -126.73 -151.45 0.48 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.494 1.121 . . . . 1.0 110.37 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 603' ' ' MET . . . . . 0.727 ' SD ' ' HB2' ' A' ' 654' ' ' ALA . 0.0 OUTLIER -133.16 28.72 4.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 1.0 110.991 -179.907 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -123.96 53.19 1.4 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.422 1.076 . . . . 1.0 110.343 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 605' ' ' GLU . . . . . 0.621 ' HB2' HG23 ' A' ' 624' ' ' ILE . 3.5 pt-20 -158.87 -54.18 0.06 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.659 1.225 . . . . 1.0 110.159 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 606' ' ' ILE . . . . . 1.231 HG21 ' CD2' ' A' ' 651' ' ' TYR . 1.2 mp -35.71 128.79 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.438 1.086 . . . . 1.0 109.241 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 607' ' ' GLN . . . . . 0.511 ' HG3' ' HA ' ' A' ' 625' ' ' ARG . 0.0 OUTLIER -84.39 -38.03 20.77 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 1.0 110.222 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 3.6 m -174.91 138.11 0.45 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 1.0 110.038 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 609' ' ' VAL . . . . . 0.793 HG22 ' CD ' ' A' ' 644' ' ' LYS . 5.2 p -103.96 136.71 35.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 1.0 109.246 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 610' ' ' GLU . . . . . 0.709 ' CG ' HD23 ' A' ' 621' ' ' LEU . 0.1 OUTLIER -158.86 157.46 31.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 1.0 110.266 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 611' ' ' GLU . . . . . 0.585 ' HA ' ' HA ' ' A' ' 620' ' ' LEU . 16.0 tt0 -111.34 144.73 40.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 1.0 110.296 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 612' ' ' THR . . . . . 0.69 HG23 ' HG3' ' A' ' 618' ' ' LYS . 0.0 OUTLIER -104.74 163.86 12.19 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.481 1.113 . . . . 1.0 110.467 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 58.7 mt-30 -129.44 163.68 25.32 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.577 1.173 . . . . 1.0 110.32 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 614' ' ' ILE . . . . . 0.785 HG22 ' O ' ' A' ' 614' ' ' ILE . 0.2 OUTLIER -147.86 83.86 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.376 1.048 . . . . 1.0 109.291 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 615' ' ' LYS . . . . . 0.414 ' CB ' ' O ' ' A' ' 614' ' ' ILE . 7.2 mmtm 82.26 -32.34 0.09 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.427 1.079 . . . . 1.0 109.306 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 616' ' ' GLU . . . . . 0.439 ' H ' ' C ' ' A' ' 614' ' ' ILE . 2.3 tt0 -156.56 -49.64 0.07 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.124 . . . . 1.0 110.266 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 617' ' ' ARG . . . . . 0.526 ' NH1' ' OD1' ' A' ' 637' ' ' ASP . 7.0 ttt180 -157.08 139.62 14.91 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.449 1.093 . . . . 1.0 110.312 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 618' ' ' LYS . . . . . 0.69 ' HG3' HG23 ' A' ' 612' ' ' THR . 12.7 tptt -118.48 -98.47 0.45 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 1.0 109.241 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 619' ' ' CYS . . . . . 0.47 ' O ' ' CG ' ' A' ' 611' ' ' GLU . 27.9 m -156.59 -177.2 6.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 1.0 108.236 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 620' ' ' LEU . . . . . 1.07 HD13 ' CD1' ' A' ' 640' ' ' LEU . 0.2 OUTLIER -96.38 148.43 22.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.441 1.088 . . . . 1.0 109.331 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 621' ' ' LEU . . . . . 0.709 HD23 ' CG ' ' A' ' 610' ' ' GLU . 0.1 OUTLIER -112.88 161.0 17.47 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 1.0 109.305 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 622' ' ' LEU . . . . . 1.001 ' CD1' HD11 ' A' ' 632' ' ' LEU . 9.1 mt -154.21 87.81 1.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 1.0 109.303 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 623' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.28 136.21 33.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 1.0 109.331 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 624' ' ' ILE . . . . . 0.938 HG22 ' H ' ' A' ' 626' ' ' GLY . 58.9 mt -104.4 143.81 15.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 O-C-N 124.479 1.112 . . . . 1.0 109.285 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 625' ' ' ARG . . . . . 0.511 ' HA ' ' HG3' ' A' ' 607' ' ' GLN . 0.5 OUTLIER -77.34 2.71 15.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.598 1.186 . . . . 1.0 110.38 179.937 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 626' ' ' GLY . . . . . 0.938 ' H ' HG22 ' A' ' 624' ' ' ILE . . . -90.78 -24.04 28.9 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.498 1.124 . . . . 1.0 111.024 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 118.14 45.79 0.48 Allowed Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.02 -0.832 . . . . 1.0 111.02 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 628' ' ' LYS . . . . . . . . . . . . . 1.6 mtmm -147.45 168.6 21.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 0.766 . . . . 1.0 109.274 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 58.6 mt-30 -139.16 157.46 45.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 1.0 110.311 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 630' ' ' PHE . . . . . 0.614 ' CD1' ' HD2' ' A' ' 567' ' ' LYS . 0.8 OUTLIER -142.27 148.65 38.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.572 1.17 . . . . 1.0 110.976 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 631' ' ' ILE . . . . . 0.565 ' O ' HG22 ' A' ' 631' ' ' ILE . 0.2 OUTLIER -128.83 104.54 11.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.519 1.137 . . . . 1.0 109.296 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 632' ' ' LEU . . . . . 1.001 HD11 ' CD1' ' A' ' 622' ' ' LEU . 1.1 mp -90.52 154.98 19.22 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.105 . . . . 1.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 633' ' ' GLN . . . . . 0.449 ' HB2' ' SG ' ' A' ' 619' ' ' CYS . 1.0 OUTLIER -156.34 145.73 20.71 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.4 1.062 . . . . 1.0 110.269 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 634' ' ' CYS . . . . . 0.568 ' HB2' HD23 ' A' ' 640' ' ' LEU . 0.5 OUTLIER -153.98 152.44 30.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.396 1.06 . . . . 1.0 108.299 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 635' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -76.0 -16.69 59.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 1.0 109.263 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 636' ' ' SER . . . . . 0.475 ' CB ' ' HB2' ' A' ' 639' ' ' GLU . 0.4 OUTLIER -93.27 146.22 23.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 1.0 110.013 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 637' ' ' ASP . . . . . 0.684 ' N ' ' CD ' ' A' ' 638' ' ' PRO . 5.3 m-20 -81.42 -40.9 1.06 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 1.0 109.296 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 638' ' ' PRO . . . . . 0.684 ' CD ' ' N ' ' A' ' 637' ' ' ASP . 18.7 Cg_endo -74.86 -55.34 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.446 1.761 . . . . 1.0 111.064 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 639' ' ' GLU . . . . . 0.588 ' C ' ' O ' ' A' ' 638' ' ' PRO . 6.3 tp10 -22.2 -76.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 1.0 110.233 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 640' ' ' LEU . . . . . 1.07 ' CD1' HD13 ' A' ' 620' ' ' LEU . 0.1 OUTLIER -52.86 -52.48 57.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.553 1.158 . . . . 1.0 109.269 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 641' ' ' VAL . . . . . 0.585 HG12 ' N ' ' A' ' 642' ' ' GLN . 0.6 OUTLIER -42.66 -55.6 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 1.0 109.25 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 642' ' ' GLN . . . . . 0.585 ' N ' HG12 ' A' ' 641' ' ' VAL . 0.0 OUTLIER -65.62 -38.58 89.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.438 1.086 . . . . 1.0 110.297 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 643' ' ' TRP . . . . . 0.823 ' CZ3' ' HB2' ' A' ' 583' ' ' LEU . 16.8 m95 -56.86 -46.61 81.69 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.569 1.168 . . . . 1.0 108.019 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 644' ' ' LYS . . . . . 0.882 ' HE2' HD11 ' A' ' 620' ' ' LEU . 1.8 ttpt -58.26 -56.65 19.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.594 1.184 . . . . 1.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 6.8 tmtm? -40.99 -51.22 3.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 1.0 109.297 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 646' ' ' GLU . . . . . 0.6 ' CB ' HD23 ' A' ' 583' ' ' LEU . 0.3 OUTLIER -72.82 -32.31 65.43 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.514 1.133 . . . . 1.0 110.226 -179.94 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 647' ' ' LEU . . . . . 0.618 ' HG ' HD21 ' A' ' 583' ' ' LEU . 0.5 OUTLIER -69.13 -62.73 1.26 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 1.0 109.286 -179.943 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 648' ' ' ARG . . . . . 0.57 ' HG3' ' CG1' ' A' ' 609' ' ' VAL . 1.4 ttt180 -41.49 -50.6 3.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.436 1.085 . . . . 1.0 110.265 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 649' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -61.98 -53.39 56.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 1.0 109.31 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 650' ' ' ALA . . . . . 0.538 ' O ' ' SD ' ' A' ' 603' ' ' MET . . . -41.57 -53.02 3.61 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.588 1.18 . . . . 1.0 109.391 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 651' ' ' TYR . . . . . 1.231 ' CD2' HG21 ' A' ' 606' ' ' ILE . 10.2 m-30 -69.85 -43.35 72.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 1.0 111.025 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 652' ' ' ARG . . . . . 0.5 ' O ' ' HB2' ' A' ' 655' ' ' GLN . 11.4 mmm180 -58.02 -64.82 0.78 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 1.0 110.282 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 653' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.91 -53.41 2.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.436 1.085 . . . . 1.0 110.281 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 654' ' ' ALA . . . . . 0.727 ' HB2' ' SD ' ' A' ' 603' ' ' MET . . . -47.34 -38.68 13.35 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.487 1.117 . . . . 1.0 109.333 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 655' ' ' GLN . . . . . 0.5 ' HB2' ' O ' ' A' ' 652' ' ' ARG . 64.5 mt-30 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 1.0 110.323 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 559' ' ' CYS . . . . . . . . . . . . . 45.1 t . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 108.345 -0.983 . . . . 1.0 108.345 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 560' ' ' ILE . . . . . 0.678 HD11 ' HA ' ' A' ' 585' ' ' PRO . 34.1 mt -97.59 -57.52 4.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 1.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 561' ' ' MET . . . . . 0.679 ' HE1' ' OE1' ' A' ' 642' ' ' GLN . 0.0 OUTLIER -145.54 149.93 35.49 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.554 1.159 . . . . 1.0 111.015 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 562' ' ' HIS . . . . . . . . . . . . . 1.5 p80 -144.72 148.7 34.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 1.0 109.607 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 563' ' ' GLY . . . . . . . . . . . . . . . 170.06 -168.57 41.51 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.487 1.117 . . . . 1.0 110.995 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 564' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -97.1 125.53 41.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 0.745 . . . . 1.0 110.992 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 565' ' ' MET . . . . . 0.627 ' SD ' ' CD2' ' A' ' 640' ' ' LEU . 1.3 mtm -130.55 -176.64 4.04 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.442 1.089 . . . . 1.0 111.015 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 566' ' ' SER . . . . . 0.472 ' O ' ' N ' ' A' ' 633' ' ' GLN . 0.6 OUTLIER -154.9 101.83 2.3 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.532 1.145 . . . . 1.0 110.002 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 567' ' ' LYS . . . . . 0.568 ' HG2' ' O ' ' A' ' 631' ' ' ILE . 5.9 tmmm? . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.558 1.161 . . . . 1.0 109.244 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 578' ' ' ARG . . . . . 0.412 ' C ' ' HG2' ' A' ' 579' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.201 -0.296 . . . . 1.0 110.201 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 579' ' ' ARG . . . . . 0.5 ' O ' ' O ' ' A' ' 565' ' ' MET . 1.1 mmm180 -136.44 164.97 26.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 1.0 110.281 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 580' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -88.3 127.43 35.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.143 . . . . 1.0 110.963 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 581' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -113.44 165.31 12.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 1.0 111.039 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 582' ' ' TYR . . . . . 0.488 ' O ' ' HA ' ' A' ' 588' ' ' LEU . 0.6 OUTLIER -144.1 116.62 8.61 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.51 1.131 . . . . 1.0 111.018 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 583' ' ' LEU . . . . . 0.837 ' HB2' ' CZ3' ' A' ' 643' ' ' TRP . 6.8 tp -91.59 114.14 26.59 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.475 1.11 . . . . 1.0 109.268 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 584' ' ' PHE . . . . . 0.526 ' CD2' ' HD2' ' A' ' 585' ' ' PRO . 0.3 OUTLIER -106.49 168.21 8.47 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 1.0 111.077 179.936 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 585' ' ' PRO . . . . . 0.678 ' HA ' HD11 ' A' ' 560' ' ' ILE . 18.1 Cg_endo -75.02 22.78 0.41 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.553 1.818 . . . . 1.0 111.017 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 586' ' ' ASN . . . . . 0.798 ' O ' HG22 ' A' ' 602' ' ' THR . 0.4 OUTLIER 174.55 -46.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 1.0 109.303 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 587' ' ' ARG . . . . . 0.543 ' HA ' ' HA ' ' A' ' 602' ' ' THR . 0.0 OUTLIER -90.82 -174.06 3.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 1.0 110.286 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 588' ' ' LEU . . . . . 0.488 ' HA ' ' O ' ' A' ' 582' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 1.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 601' ' ' LEU . . . . . 0.481 ' O ' ' N ' ' A' ' 588' ' ' LEU . 6.8 tp . . . . . 0 N--CA 1.454 -0.239 0 N-CA-C 109.301 -0.629 . . . . 1.0 109.301 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 602' ' ' THR . . . . . 0.798 HG22 ' O ' ' A' ' 586' ' ' ASN . 0.2 OUTLIER -95.18 -165.95 1.38 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.423 1.077 . . . . 1.0 110.339 -179.9 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 603' ' ' MET . . . . . 0.682 ' CG ' ' HA ' ' A' ' 586' ' ' ASN . 0.1 OUTLIER -128.23 33.95 4.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.408 1.068 . . . . 1.0 111.003 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 604' ' ' GLU . . . . . 0.429 ' HB3' ' HB1' ' A' ' 654' ' ' ALA . 8.8 pt-20 -124.65 58.1 1.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 1.0 110.328 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 605' ' ' GLU . . . . . 0.502 ' O ' ' C ' ' A' ' 606' ' ' ILE . 2.7 pt-20 -158.9 -51.75 0.06 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.62 1.2 . . . . 1.0 110.272 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 606' ' ' ILE . . . . . 1.355 HG21 ' CD2' ' A' ' 651' ' ' TYR . 0.9 OUTLIER -32.74 137.4 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.527 1.142 . . . . 1.0 109.257 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 607' ' ' GLN . . . . . 0.577 ' HG3' ' HA ' ' A' ' 625' ' ' ARG . 0.0 OUTLIER -92.28 -37.38 12.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 1.0 110.363 179.937 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 608' ' ' SER . . . . . 0.403 ' HB2' ' HD3' ' A' ' 623' ' ' LYS . 1.1 m -173.97 133.06 0.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 1.0 109.956 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 609' ' ' VAL . . . . . 0.946 HG22 ' CD ' ' A' ' 644' ' ' LYS . 3.2 p -104.65 141.01 21.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 1.0 109.329 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 610' ' ' GLU . . . . . 0.89 ' CD ' HD23 ' A' ' 621' ' ' LEU . 0.5 OUTLIER -159.9 -170.83 3.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 1.0 110.246 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 611' ' ' GLU . . . . . 0.657 ' HA ' ' HA ' ' A' ' 620' ' ' LEU . 24.2 tt0 -141.19 145.04 35.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 1.0 110.323 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 612' ' ' THR . . . . . 0.913 HG23 ' HG3' ' A' ' 618' ' ' LYS . 0.0 OUTLIER -108.77 167.23 10.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 1.0 110.452 179.932 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 13.1 mp0 -132.06 158.57 41.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 1.0 110.285 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 614' ' ' ILE . . . . . 0.801 HG22 ' O ' ' A' ' 614' ' ' ILE . 0.2 OUTLIER -142.96 84.56 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 1.0 109.355 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 615' ' ' LYS . . . . . 0.424 ' HB2' ' O ' ' A' ' 614' ' ' ILE . 4.6 mmtm 82.39 -34.59 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 1.0 109.326 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 616' ' ' GLU . . . . . 0.433 ' H ' ' C ' ' A' ' 614' ' ' ILE . 3.2 tt0 -156.33 -47.47 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 1.0 110.336 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 4.7 ttm180 -154.7 138.09 15.85 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 1.0 110.244 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 618' ' ' LYS . . . . . 0.913 ' HG3' HG23 ' A' ' 612' ' ' THR . 6.9 tptt -118.15 -97.97 0.46 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 1.0 109.225 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 619' ' ' CYS . . . . . 0.494 ' O ' ' CG ' ' A' ' 611' ' ' GLU . 25.7 m -157.75 -175.88 5.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 1.0 108.344 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 620' ' ' LEU . . . . . 1.059 ' CD1' HD12 ' A' ' 640' ' ' LEU . 0.2 OUTLIER -100.05 137.1 38.96 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.575 1.172 . . . . 1.0 109.315 179.942 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 621' ' ' LEU . . . . . 0.89 HD23 ' CD ' ' A' ' 610' ' ' GLU . 3.0 tp -92.44 159.61 15.46 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.566 1.166 . . . . 1.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 622' ' ' LEU . . . . . 1.042 HD12 HD11 ' A' ' 632' ' ' LEU . 1.0 OUTLIER -157.53 87.87 0.97 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.527 1.142 . . . . 1.0 109.331 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 623' ' ' LYS . . . . . 0.403 ' HD3' ' HB2' ' A' ' 608' ' ' SER . 0.0 OUTLIER -91.79 137.64 32.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.446 1.091 . . . . 1.0 109.229 -179.904 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 624' ' ' ILE . . . . . 0.965 HG22 ' H ' ' A' ' 626' ' ' GLY . 64.7 mt -106.32 143.79 16.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 1.0 109.413 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 625' ' ' ARG . . . . . 0.577 ' HA ' ' HG3' ' A' ' 607' ' ' GLN . 2.9 ptm180 -79.21 3.32 18.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.568 1.168 . . . . 1.0 110.243 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 626' ' ' GLY . . . . . 0.965 ' H ' HG22 ' A' ' 624' ' ' ILE . . . -89.78 -22.38 36.57 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.525 1.141 . . . . 1.0 111.063 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 116.99 43.75 0.6 Allowed Glycine 0 CA--C 1.53 0.974 0 N-CA-C 110.941 -0.864 . . . . 1.0 110.941 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 628' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -145.3 168.46 20.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 0.779 . . . . 1.0 109.191 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 8.5 mp0 -146.38 141.0 26.77 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.574 1.171 . . . . 1.0 110.321 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 630' ' ' PHE . . . . . 0.521 ' CD1' ' HD3' ' A' ' 567' ' ' LYS . 1.7 m-85 -134.54 162.81 31.24 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.474 1.109 . . . . 1.0 110.942 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 631' ' ' ILE . . . . . 0.568 ' O ' ' HG2' ' A' ' 567' ' ' LYS . 0.2 OUTLIER -138.67 113.05 7.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.099 . . . . 1.0 109.282 -179.94 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 632' ' ' LEU . . . . . 1.042 HD11 HD12 ' A' ' 622' ' ' LEU . 1.5 mp -86.04 157.54 20.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 1.0 109.344 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 633' ' ' GLN . . . . . 0.472 ' N ' ' O ' ' A' ' 566' ' ' SER . 7.2 tp60 -155.82 140.4 16.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 1.0 110.308 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 634' ' ' CYS . . . . . 0.406 ' HB2' HD23 ' A' ' 640' ' ' LEU . 0.5 OUTLIER -153.43 159.99 42.49 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.595 1.184 . . . . 1.0 108.361 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 635' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -83.61 -17.94 39.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.54 1.15 . . . . 1.0 109.314 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 636' ' ' SER . . . . . 0.598 ' HB2' ' CG ' ' A' ' 639' ' ' GLU . 7.4 m -91.24 150.93 21.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.42 1.075 . . . . 1.0 109.928 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 637' ' ' ASP . . . . . 0.677 ' N ' ' CD ' ' A' ' 638' ' ' PRO . 0.2 OUTLIER -87.19 -41.87 0.53 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.401 1.063 . . . . 1.0 109.317 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 638' ' ' PRO . . . . . 0.677 ' CD ' ' N ' ' A' ' 637' ' ' ASP . 18.0 Cg_endo -75.03 -58.94 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.222 0 O-C-N 124.537 1.809 . . . . 1.0 110.936 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 639' ' ' GLU . . . . . 0.606 ' C ' ' O ' ' A' ' 638' ' ' PRO . 10.3 mm-40 -20.92 -78.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.089 . . . . 1.0 110.291 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 640' ' ' LEU . . . . . 1.059 HD12 ' CD1' ' A' ' 620' ' ' LEU . 0.1 OUTLIER -51.04 -54.04 28.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.556 1.16 . . . . 1.0 109.236 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 641' ' ' VAL . . . . . 0.619 HG12 ' N ' ' A' ' 642' ' ' GLN . 0.9 OUTLIER -41.48 -57.75 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 1.0 109.298 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 642' ' ' GLN . . . . . 0.679 ' OE1' ' HE1' ' A' ' 561' ' ' MET . 21.9 mt-30 -61.02 -40.5 93.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 1.0 110.347 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 643' ' ' TRP . . . . . 0.837 ' CZ3' ' HB2' ' A' ' 583' ' ' LEU . 12.7 m95 -52.84 -49.89 64.83 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.024 -1.102 . . . . 1.0 108.024 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 644' ' ' LYS . . . . . 0.946 ' CD ' HG22 ' A' ' 609' ' ' VAL . 0.5 OUTLIER -53.12 -57.48 10.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 1.0 109.349 179.953 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 9.9 tmtt? -40.1 -54.97 2.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.158 . . . . 1.0 109.173 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 646' ' ' GLU . . . . . 0.602 ' HG2' HG22 ' A' ' 560' ' ' ILE . 0.6 OUTLIER -69.76 -30.26 67.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 1.0 110.283 -179.918 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 647' ' ' LEU . . . . . 0.934 HD22 ' CZ ' ' A' ' 651' ' ' TYR . 2.4 mt -71.14 -62.76 1.28 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.485 1.116 . . . . 1.0 109.239 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 648' ' ' ARG . . . . . 0.553 ' N ' ' O ' ' A' ' 644' ' ' LYS . 2.0 ttp180 -37.73 -54.4 1.22 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.523 1.14 . . . . 1.0 110.287 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 649' ' ' ASP . . . . . 0.409 ' O ' ' N ' ' A' ' 653' ' ' GLU . 0.4 OUTLIER -61.57 -43.11 99.47 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.523 1.139 . . . . 1.0 109.368 179.937 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 650' ' ' ALA . . . . . 0.49 ' HB1' ' SD ' ' A' ' 603' ' ' MET . . . -51.23 -47.91 62.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 1.0 109.266 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 651' ' ' TYR . . . . . 1.355 ' CD2' HG21 ' A' ' 606' ' ' ILE . 13.9 m-30 -75.41 -39.42 59.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.424 1.078 . . . . 1.0 110.949 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 652' ' ' ARG . . . . . 0.495 ' O ' ' HB2' ' A' ' 655' ' ' GLN . 36.5 mtp85 -63.22 -63.02 1.31 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.449 1.093 . . . . 1.0 110.289 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 653' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 649' ' ' ASP . 0.8 OUTLIER -45.48 -53.33 9.01 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.401 1.063 . . . . 1.0 110.317 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 654' ' ' ALA . . . . . 0.429 ' HB1' ' HB3' ' A' ' 604' ' ' GLU . . . -48.6 -36.39 15.62 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.546 1.153 . . . . 1.0 109.318 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 655' ' ' GLN . . . . . 0.495 ' HB2' ' O ' ' A' ' 652' ' ' ARG . 62.7 mt-30 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 1.0 110.31 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 559' ' ' CYS . . . . . 0.523 ' HG ' ' HD1' ' A' ' 584' ' ' PHE . 3.2 t . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 108.309 -0.997 . . . . 1.0 108.309 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 560' ' ' ILE . . . . . 0.69 ' HB ' ' CD2' ' A' ' 583' ' ' LEU . 3.9 mt -90.41 -57.0 4.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 1.0 109.253 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 561' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.13 146.1 30.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 1.0 111.047 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 562' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -148.7 152.16 36.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 1.0 109.589 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 563' ' ' GLY . . . . . . . . . . . . . . . 157.08 -158.9 29.23 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.485 1.116 . . . . 1.0 110.996 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 564' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -88.15 126.92 35.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 0.752 . . . . 1.0 110.992 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 565' ' ' MET . . . . . 0.643 ' O ' ' O ' ' A' ' 579' ' ' ARG . 0.0 OUTLIER -144.47 134.29 23.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 1.0 111.004 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 566' ' ' SER . . . . . 0.517 ' O ' ' N ' ' A' ' 633' ' ' GLN . 0.2 OUTLIER -101.97 114.04 27.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.115 . . . . 1.0 110.044 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 567' ' ' LYS . . . . . 0.586 ' HB2' HD23 ' A' ' 632' ' ' LEU . 7.7 tttt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 1.0 109.27 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 578' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.256 -0.275 . . . . 1.0 110.256 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 579' ' ' ARG . . . . . 0.643 ' O ' ' O ' ' A' ' 565' ' ' MET . 48.4 mtp180 -142.77 162.71 34.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 1.0 110.305 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 580' ' ' TYR . . . . . 0.41 ' CD1' ' HE1' ' A' ' 582' ' ' TYR . 0.2 OUTLIER -88.73 119.71 29.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.452 1.095 . . . . 1.0 111.027 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 581' ' ' PHE . . . . . 0.455 ' CD2' HD11 ' A' ' 588' ' ' LEU . 4.7 m-85 -119.12 155.79 30.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 1.0 111.054 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 582' ' ' TYR . . . . . 0.458 ' O ' ' HA ' ' A' ' 588' ' ' LEU . 7.2 m-85 -136.05 117.89 15.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 1.0 111.037 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 583' ' ' LEU . . . . . 0.861 HD12 ' HG ' ' A' ' 647' ' ' LEU . 6.5 tt -89.05 119.68 29.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 1.0 109.271 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 584' ' ' PHE . . . . . 0.633 ' CD2' ' HD2' ' A' ' 585' ' ' PRO . 0.2 OUTLIER -110.6 -176.74 0.41 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.402 1.064 . . . . 1.0 110.989 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 585' ' ' PRO . . . . . 0.633 ' HD2' ' CD2' ' A' ' 584' ' ' PHE . 18.2 Cg_endo -75.07 7.99 2.64 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.542 1.811 . . . . 1.0 110.98 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 586' ' ' ASN . . . . . 0.681 ' HA ' ' CG ' ' A' ' 603' ' ' MET . 7.3 p-10 173.73 -33.07 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.145 . . . . 1.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 587' ' ' ARG . . . . . 0.762 ' O ' ' HE1' ' A' ' 603' ' ' MET . 14.9 mtp180 -89.71 173.79 8.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 1.0 110.311 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 588' ' ' LEU . . . . . 0.513 ' CB ' ' HE1' ' A' ' 603' ' ' MET . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.43 1.082 . . . . 1.0 109.304 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 601' ' ' LEU . . . . . 0.507 ' N ' ' O ' ' A' ' 588' ' ' LEU . 2.3 mm? . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.3 -0.629 . . . . 1.0 109.3 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 602' ' ' THR . . . . . 0.599 HG22 ' O ' ' A' ' 586' ' ' ASN . 0.0 OUTLIER -127.55 -177.22 4.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 1.0 110.377 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 603' ' ' MET . . . . . 0.762 ' HE1' ' O ' ' A' ' 587' ' ' ARG . 0.0 OUTLIER -127.0 44.47 2.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 1.0 110.932 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 604' ' ' GLU . . . . . 0.418 ' O ' ' HG3' ' A' ' 604' ' ' GLU . 17.2 pt-20 -127.14 44.65 2.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 1.0 110.227 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 605' ' ' GLU . . . . . 0.567 ' O ' ' C ' ' A' ' 606' ' ' ILE . 2.8 pt-20 -157.67 -51.16 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 1.0 110.359 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 606' ' ' ILE . . . . . 1.265 HG21 ' CD2' ' A' ' 651' ' ' TYR . 0.9 OUTLIER -25.88 133.22 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.524 1.14 . . . . 1.0 109.285 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 607' ' ' GLN . . . . . 0.557 ' HG3' ' HA ' ' A' ' 625' ' ' ARG . 0.1 OUTLIER -85.81 -38.37 18.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 1.0 110.355 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 608' ' ' SER . . . . . 0.439 ' HB2' ' HD3' ' A' ' 623' ' ' LYS . 5.2 m -175.06 133.93 0.33 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 1.0 110.044 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 609' ' ' VAL . . . . . 1.026 HG22 ' CD ' ' A' ' 644' ' ' LYS . 3.0 p -107.64 139.35 29.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.564 1.165 . . . . 1.0 109.279 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 610' ' ' GLU . . . . . 0.891 ' HG3' HD23 ' A' ' 621' ' ' LEU . 1.0 OUTLIER -159.09 -167.74 2.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 1.0 110.278 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 611' ' ' GLU . . . . . 0.686 ' HA ' ' HA ' ' A' ' 620' ' ' LEU . 24.8 tt0 -138.27 147.3 43.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 1.0 110.347 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 612' ' ' THR . . . . . 0.645 HG23 ' HG3' ' A' ' 618' ' ' LYS . 0.0 OUTLIER -109.87 161.39 15.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.436 1.085 . . . . 1.0 110.461 179.937 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 63.2 mt-30 -125.63 163.31 23.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 1.0 110.264 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 614' ' ' ILE . . . . . 0.793 HG22 ' O ' ' A' ' 614' ' ' ILE . 0.1 OUTLIER -149.14 82.38 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.125 . . . . 1.0 109.303 179.912 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 615' ' ' LYS . . . . . 0.432 ' HB2' ' O ' ' A' ' 614' ' ' ILE . 9.0 mmtt 82.12 -31.49 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 1.0 109.275 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 616' ' ' GLU . . . . . 0.438 ' H ' ' C ' ' A' ' 614' ' ' ILE . 0.9 OUTLIER -157.13 -49.77 0.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.439 1.087 . . . . 1.0 110.374 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 7.1 ttt85 -157.96 141.58 15.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 1.0 110.328 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 618' ' ' LYS . . . . . 0.645 ' HG3' HG23 ' A' ' 612' ' ' THR . 8.8 tptt -120.81 -97.68 0.46 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.431 1.082 . . . . 1.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 619' ' ' CYS . . . . . 0.468 ' O ' ' CG ' ' A' ' 611' ' ' GLU . 2.2 m -157.41 -177.24 6.45 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.448 1.093 . . . . 1.0 108.306 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 620' ' ' LEU . . . . . 1.039 HD13 HD12 ' A' ' 640' ' ' LEU . 0.1 OUTLIER -96.94 140.44 31.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.577 1.173 . . . . 1.0 109.222 -179.942 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 621' ' ' LEU . . . . . 0.891 HD23 ' HG3' ' A' ' 610' ' ' GLU . 0.7 OUTLIER -97.85 161.17 13.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 1.0 109.282 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 622' ' ' LEU . . . . . 0.922 HD12 HD11 ' A' ' 632' ' ' LEU . 0.7 OUTLIER -157.3 91.39 1.17 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.479 1.112 . . . . 1.0 109.315 -179.94 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 623' ' ' LYS . . . . . 0.439 ' HD3' ' HB2' ' A' ' 608' ' ' SER . 0.0 OUTLIER -95.07 136.34 35.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 1.0 109.195 -179.915 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 624' ' ' ILE . . . . . 0.964 HG22 ' H ' ' A' ' 626' ' ' GLY . 58.6 mt -102.19 143.62 14.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 124.538 1.149 . . . . 1.0 109.356 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 625' ' ' ARG . . . . . 0.557 ' HA ' ' HG3' ' A' ' 607' ' ' GLN . 5.3 ptm180 -79.26 3.2 18.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.436 1.085 . . . . 1.0 110.253 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 626' ' ' GLY . . . . . 0.964 ' H ' HG22 ' A' ' 624' ' ' ILE . . . -88.52 -24.91 32.0 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.47 1.106 . . . . 1.0 111.007 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 119.57 42.64 0.53 Allowed Glycine 0 CA--C 1.53 0.978 0 N-CA-C 111.063 -0.815 . . . . 1.0 111.063 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 628' ' ' LYS . . . . . . . . . . . . . 4.6 mtmm -143.0 170.92 14.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.392 0.701 . . . . 1.0 109.335 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -144.06 136.99 27.27 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.515 1.134 . . . . 1.0 110.314 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 630' ' ' PHE . . . . . 0.575 ' CD1' ' HE2' ' A' ' 567' ' ' LYS . 1.5 m-85 -130.72 155.18 47.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.454 1.096 . . . . 1.0 110.998 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 631' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -130.26 123.16 55.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 1.0 109.393 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 632' ' ' LEU . . . . . 0.922 HD11 HD12 ' A' ' 622' ' ' LEU . 0.7 OUTLIER -97.19 156.21 16.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 1.0 109.32 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 633' ' ' GLN . . . . . 0.517 ' N ' ' O ' ' A' ' 566' ' ' SER . 0.5 OUTLIER -157.62 125.1 5.21 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.585 1.178 . . . . 1.0 110.292 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 634' ' ' CYS . . . . . 0.713 ' HB2' HD23 ' A' ' 640' ' ' LEU . 0.0 OUTLIER -139.84 154.24 47.27 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 1.0 108.373 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 635' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -79.56 -21.02 45.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.101 . . . . 1.0 109.357 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 636' ' ' SER . . . . . 0.467 ' CB ' ' HB2' ' A' ' 639' ' ' GLU . 0.4 OUTLIER -86.37 148.7 25.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 1.0 109.95 -179.903 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 637' ' ' ASP . . . . . 0.642 ' N ' ' CD ' ' A' ' 638' ' ' PRO . 0.3 OUTLIER -84.6 -44.23 0.71 Allowed Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.559 1.162 . . . . 1.0 109.259 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 638' ' ' PRO . . . . . 0.642 ' CD ' ' N ' ' A' ' 637' ' ' ASP . 18.2 Cg_endo -75.04 -52.88 0.1 Allowed 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.561 1.822 . . . . 1.0 110.935 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 639' ' ' GLU . . . . . 0.557 ' C ' ' O ' ' A' ' 638' ' ' PRO . 11.9 mm-40 -24.89 -81.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.397 1.06 . . . . 1.0 110.277 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 640' ' ' LEU . . . . . 1.039 HD12 HD13 ' A' ' 620' ' ' LEU . 0.1 OUTLIER -48.91 -46.78 43.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 1.0 109.285 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 641' ' ' VAL . . . . . 0.603 HG12 ' N ' ' A' ' 642' ' ' GLN . 0.7 OUTLIER -45.01 -56.93 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 1.0 109.287 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 642' ' ' GLN . . . . . 0.603 ' N ' HG12 ' A' ' 641' ' ' VAL . 0.2 OUTLIER -64.05 -42.49 97.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.544 1.153 . . . . 1.0 110.325 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 643' ' ' TRP . . . . . 0.681 ' CZ3' ' HB2' ' A' ' 583' ' ' LEU . 33.9 m95 -52.85 -40.77 63.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 1.0 108.013 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 644' ' ' LYS . . . . . 1.026 ' CD ' HG22 ' A' ' 609' ' ' VAL . 0.0 OUTLIER -64.32 -61.48 2.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.56 1.163 . . . . 1.0 109.346 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 645' ' ' LYS . . . . . 0.459 ' CD ' ' OE1' ' A' ' 646' ' ' GLU . 2.6 tmtm? -39.47 -54.11 1.97 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.411 1.07 . . . . 1.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 646' ' ' GLU . . . . . 0.586 ' HG2' HG22 ' A' ' 560' ' ' ILE . 0.2 OUTLIER -69.29 -32.16 71.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 1.0 110.347 179.937 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 647' ' ' LEU . . . . . 0.861 ' HG ' HD12 ' A' ' 583' ' ' LEU . 12.0 mt -68.03 -59.97 2.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 1.0 109.328 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 648' ' ' ARG . . . . . 0.497 ' N ' ' O ' ' A' ' 644' ' ' LYS . 1.7 ttm105 -40.72 -52.54 2.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 1.0 110.275 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 649' ' ' ASP . . . . . 0.431 ' O ' ' N ' ' A' ' 653' ' ' GLU . 0.4 OUTLIER -63.98 -43.54 95.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.577 1.173 . . . . 1.0 109.248 -179.94 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 650' ' ' ALA . . . . . 0.604 ' HB1' ' CG ' ' A' ' 603' ' ' MET . . . -50.76 -45.11 58.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 1.0 109.354 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 651' ' ' TYR . . . . . 1.265 ' CD2' HG21 ' A' ' 606' ' ' ILE . 18.8 m-30 -78.03 -39.9 40.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 1.0 111.021 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 652' ' ' ARG . . . . . 0.485 ' O ' ' HB2' ' A' ' 655' ' ' GLN . 48.8 mtp85 -64.1 -62.47 1.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 1.0 110.327 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 653' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 649' ' ' ASP . 0.0 OUTLIER -49.91 -55.78 13.11 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.473 1.108 . . . . 1.0 110.334 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -45.87 -34.86 4.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 1.0 109.293 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 655' ' ' GLN . . . . . 0.485 ' HB2' ' O ' ' A' ' 652' ' ' ARG . 64.5 mt-30 . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 1.0 110.256 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 559' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.366 0 N-CA-C 108.266 -1.013 . . . . 1.0 108.266 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 560' ' ' ILE . . . . . 0.798 HD11 ' HA ' ' A' ' 585' ' ' PRO . 26.5 mt -76.38 -56.95 6.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.552 1.157 . . . . 1.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 561' ' ' MET . . . . . 0.434 ' CE ' ' OE1' ' A' ' 642' ' ' GLN . 0.0 OUTLIER -147.64 157.83 43.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.151 . . . . 1.0 111.0 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 562' ' ' HIS . . . . . 0.444 ' O ' ' HD2' ' A' ' 562' ' ' HIS . 0.6 OUTLIER -158.89 154.3 25.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 1.0 109.574 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 563' ' ' GLY . . . . . . . . . . . . . . . 169.77 -162.87 36.35 Favored Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.414 1.071 . . . . 1.0 111.051 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 564' ' ' TYR . . . . . 0.45 ' HE1' ' CA ' ' A' ' 579' ' ' ARG . 0.4 OUTLIER -108.42 120.2 41.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 0.777 . . . . 1.0 111.007 179.909 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 565' ' ' MET . . . . . 0.629 ' SD ' ' CE2' ' A' ' 643' ' ' TRP . 1.6 ptm -152.6 154.55 35.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 1.0 111.055 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 566' ' ' SER . . . . . 0.453 ' OG ' ' HG3' ' A' ' 633' ' ' GLN . 0.1 OUTLIER -116.92 172.23 7.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 1.0 109.986 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 567' ' ' LYS . . . . . 0.523 ' CB ' ' HA ' ' A' ' 632' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 1.0 109.276 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 578' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.236 0 N-CA-C 110.306 -0.257 . . . . 1.0 110.306 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 579' ' ' ARG . . . . . 0.522 ' O ' ' O ' ' A' ' 565' ' ' MET . 0.4 OUTLIER -125.97 163.96 21.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.577 1.173 . . . . 1.0 110.272 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 580' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -89.22 128.15 35.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 1.0 111.001 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 581' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -118.77 159.91 22.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.44 1.087 . . . . 1.0 110.98 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 582' ' ' TYR . . . . . 0.563 ' O ' ' HA ' ' A' ' 588' ' ' LEU . 52.9 m-85 -138.79 121.25 16.11 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.43 1.081 . . . . 1.0 110.967 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 583' ' ' LEU . . . . . 0.7 ' HB2' ' CZ3' ' A' ' 643' ' ' TRP . 6.8 tp -92.41 115.13 27.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 1.0 109.348 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 584' ' ' PHE . . . . . 0.551 ' HB2' ' C ' ' A' ' 587' ' ' ARG . 5.9 m-85 -106.13 174.25 2.71 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 1.0 111.015 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 585' ' ' PRO . . . . . 0.798 ' HA ' HD11 ' A' ' 560' ' ' ILE . 18.6 Cg_endo -74.97 0.42 8.91 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.498 1.789 . . . . 1.0 111.02 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 586' ' ' ASN . . . . . 0.773 ' O ' HG22 ' A' ' 602' ' ' THR . 5.7 m120 -165.12 -41.56 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.428 1.08 . . . . 1.0 109.314 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 587' ' ' ARG . . . . . 0.551 ' C ' ' HB2' ' A' ' 584' ' ' PHE . 2.9 mtp180 -88.51 -168.78 2.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 1.0 110.335 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 588' ' ' LEU . . . . . 0.623 ' C ' HD12 ' A' ' 588' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 1.0 109.379 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 601' ' ' LEU . . . . . 0.484 ' CD2' ' OE2' ' A' ' 605' ' ' GLU . 3.3 tp . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.31 -0.626 . . . . 1.0 109.31 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 602' ' ' THR . . . . . 0.773 HG22 ' O ' ' A' ' 586' ' ' ASN . 0.0 OUTLIER -109.92 -163.46 0.86 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 1.0 110.365 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 603' ' ' MET . . . . . 0.722 ' HE1' ' O ' ' A' ' 585' ' ' PRO . 0.0 OUTLIER -129.4 36.38 4.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 1.0 111.055 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -124.91 56.91 1.3 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.509 1.13 . . . . 1.0 110.289 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 605' ' ' GLU . . . . . 0.495 ' O ' ' C ' ' A' ' 606' ' ' ILE . 3.4 pt-20 -159.27 -53.71 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 1.0 110.34 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 606' ' ' ILE . . . . . 1.273 HG21 ' CD2' ' A' ' 651' ' ' TYR . 0.9 OUTLIER -33.05 136.43 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 1.0 109.296 179.925 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 607' ' ' GLN . . . . . 0.551 ' HG2' ' CB ' ' A' ' 625' ' ' ARG . 0.0 OUTLIER -87.7 -41.45 13.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 1.0 110.312 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 608' ' ' SER . . . . . 0.468 ' OG ' ' O ' ' A' ' 607' ' ' GLN . 6.8 m -171.68 135.72 0.9 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 1.0 110.02 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 609' ' ' VAL . . . . . 0.955 HG22 ' CD ' ' A' ' 644' ' ' LYS . 2.7 p -107.64 139.32 29.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 O-C-N 124.528 1.142 . . . . 1.0 109.306 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 610' ' ' GLU . . . . . 0.827 ' HG3' HD23 ' A' ' 621' ' ' LEU . 0.2 OUTLIER -158.96 -166.69 1.91 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.371 1.045 . . . . 1.0 110.303 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 611' ' ' GLU . . . . . 0.607 ' HA ' ' HA ' ' A' ' 620' ' ' LEU . 24.9 tt0 -140.44 148.36 41.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 1.0 110.306 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 612' ' ' THR . . . . . 0.818 HG23 ' HG3' ' A' ' 618' ' ' LYS . 0.0 OUTLIER -114.01 164.26 14.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 1.0 110.368 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 7.4 mp0 -128.97 161.67 29.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 1.0 110.248 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 614' ' ' ILE . . . . . 0.795 HG22 ' O ' ' A' ' 614' ' ' ILE . 0.2 OUTLIER -146.63 84.0 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.56 1.163 . . . . 1.0 109.335 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 615' ' ' LYS . . . . . 0.426 ' HB3' ' O ' ' A' ' 614' ' ' ILE . 20.2 ttpt 82.22 -33.89 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 1.0 109.376 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 616' ' ' GLU . . . . . 0.437 ' H ' ' C ' ' A' ' 614' ' ' ILE . 3.1 tt0 -157.09 -46.95 0.07 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.448 1.092 . . . . 1.0 110.299 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 617' ' ' ARG . . . . . 0.518 ' CZ ' ' OD1' ' A' ' 637' ' ' ASP . 1.7 ttm180 -156.39 138.19 14.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.432 1.082 . . . . 1.0 110.328 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 618' ' ' LYS . . . . . 0.818 ' HG3' HG23 ' A' ' 612' ' ' THR . 9.1 tptt -117.8 -98.47 0.45 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 1.0 109.284 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 619' ' ' CYS . . . . . 0.472 ' O ' ' CG ' ' A' ' 611' ' ' GLU . 16.2 m -157.45 -172.68 4.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 1.0 108.295 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 620' ' ' LEU . . . . . 1.057 ' CD1' HD12 ' A' ' 640' ' ' LEU . 0.1 OUTLIER -99.91 140.94 33.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 1.0 109.293 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 621' ' ' LEU . . . . . 0.827 HD23 ' HG3' ' A' ' 610' ' ' GLU . 4.9 tp -94.64 158.37 15.55 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.605 1.191 . . . . 1.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 622' ' ' LEU . . . . . 0.872 HD12 HD21 ' A' ' 632' ' ' LEU . 0.9 OUTLIER -160.11 86.15 0.75 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 1.0 109.341 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 623' ' ' LYS . . . . . 0.452 ' HD3' ' HB2' ' A' ' 608' ' ' SER . 0.0 OUTLIER -93.2 136.78 33.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.383 1.052 . . . . 1.0 109.351 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 624' ' ' ILE . . . . . 0.958 HG22 ' H ' ' A' ' 626' ' ' GLY . 79.2 mt -101.58 144.75 12.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.148 . . . . 1.0 109.313 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 625' ' ' ARG . . . . . 0.551 ' CB ' ' HG2' ' A' ' 607' ' ' GLN . 16.7 ptt180 -80.51 3.09 22.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 1.0 110.299 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 626' ' ' GLY . . . . . 0.958 ' H ' HG22 ' A' ' 624' ' ' ILE . . . -87.92 -22.15 43.47 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.544 1.153 . . . . 1.0 111.002 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 118.33 38.68 0.78 Allowed Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.055 -0.818 . . . . 1.0 111.055 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 628' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -141.97 167.72 21.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 0.779 . . . . 1.0 109.228 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -139.35 150.06 44.9 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.503 1.127 . . . . 1.0 110.262 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 630' ' ' PHE . . . . . 0.511 ' CG ' ' HE2' ' A' ' 567' ' ' LYS . 1.1 m-85 -142.62 158.19 43.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 1.0 110.975 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 631' ' ' ILE . . . . . 0.537 ' O ' HG22 ' A' ' 631' ' ' ILE . 0.1 OUTLIER -140.68 108.2 2.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 1.0 109.33 179.925 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 632' ' ' LEU . . . . . 0.872 HD21 HD12 ' A' ' 622' ' ' LEU . 0.4 OUTLIER -83.46 152.28 25.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 1.0 109.302 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 633' ' ' GLN . . . . . 0.453 ' HG3' ' OG ' ' A' ' 566' ' ' SER . 0.0 OUTLIER -153.26 117.98 5.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.402 1.064 . . . . 1.0 110.254 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 634' ' ' CYS . . . . . 0.506 ' SG ' ' HA ' ' A' ' 565' ' ' MET . 5.7 t -124.31 169.75 11.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.384 1.052 . . . . 1.0 108.349 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 635' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -87.17 -18.38 30.5 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.118 . . . . 1.0 109.346 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 636' ' ' SER . . . . . 0.551 ' HB2' ' HB2' ' A' ' 639' ' ' GLU . 2.4 m -94.85 152.26 18.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 1.0 110.0 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 637' ' ' ASP . . . . . 0.711 ' N ' ' CD ' ' A' ' 638' ' ' PRO . 0.4 OUTLIER -90.07 -39.89 0.41 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 1.0 109.304 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 638' ' ' PRO . . . . . 0.711 ' CD ' ' N ' ' A' ' 637' ' ' ASP . 17.8 Cg_endo -75.11 -55.88 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.48 1.779 . . . . 1.0 110.989 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 639' ' ' GLU . . . . . 0.573 ' C ' ' O ' ' A' ' 638' ' ' PRO . 46.9 mm-40 -24.28 -80.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 1.0 110.292 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 640' ' ' LEU . . . . . 1.057 HD12 ' CD1' ' A' ' 620' ' ' LEU . 0.2 OUTLIER -49.21 -46.29 45.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.146 . . . . 1.0 109.293 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 641' ' ' VAL . . . . . 0.63 HG12 ' N ' ' A' ' 642' ' ' GLN . 0.8 OUTLIER -46.05 -58.66 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 1.0 109.228 -179.927 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 642' ' ' GLN . . . . . 0.63 ' N ' HG12 ' A' ' 641' ' ' VAL . 1.2 mm-40 -62.98 -39.51 94.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 1.0 110.297 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 643' ' ' TRP . . . . . 0.7 ' CZ3' ' HB2' ' A' ' 583' ' ' LEU . 18.9 m95 -56.2 -41.79 76.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 1.0 108.047 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 644' ' ' LYS . . . . . 0.955 ' CD ' HG22 ' A' ' 609' ' ' VAL . 0.0 OUTLIER -58.16 -54.71 43.86 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.405 1.065 . . . . 1.0 109.258 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 1.4 tmtt? -44.26 -54.42 5.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 1.0 109.291 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 646' ' ' GLU . . . . . 0.63 ' CB ' HD23 ' A' ' 583' ' ' LEU . 0.1 OUTLIER -70.85 -29.0 65.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 1.0 110.341 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 647' ' ' LEU . . . . . 0.564 ' HB2' ' HA ' ' A' ' 644' ' ' LYS . 0.9 OUTLIER -70.78 -62.57 1.34 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.085 . . . . 1.0 109.253 -179.917 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 648' ' ' ARG . . . . . 0.53 ' N ' ' O ' ' A' ' 644' ' ' LYS . 0.4 OUTLIER -40.23 -50.59 2.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 1.0 110.281 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 649' ' ' ASP . . . . . 0.42 ' O ' ' N ' ' A' ' 653' ' ' GLU . 42.5 t0 -62.93 -50.0 72.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.153 . . . . 1.0 109.348 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 650' ' ' ALA . . . . . 0.564 ' HB1' ' SD ' ' A' ' 603' ' ' MET . . . -46.04 -49.43 16.26 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.536 1.148 . . . . 1.0 109.242 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 651' ' ' TYR . . . . . 1.273 ' CD2' HG21 ' A' ' 606' ' ' ILE . 16.0 m-30 -73.37 -42.7 61.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.615 1.197 . . . . 1.0 110.995 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 652' ' ' ARG . . . . . 0.489 ' O ' ' HB2' ' A' ' 655' ' ' GLN . 70.3 mtp180 -60.07 -63.0 1.45 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.566 1.166 . . . . 1.0 110.314 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 653' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 649' ' ' ASP . 4.6 mt-10 -43.48 -51.35 6.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 1.0 110.296 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -50.52 -36.13 32.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 1.0 109.227 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 655' ' ' GLN . . . . . 0.489 ' HB2' ' O ' ' A' ' 652' ' ' ARG . 63.5 mt-30 . . . . . 0 C--N 1.324 -0.533 0 O-C-N 124.514 1.134 . . . . 1.0 110.278 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 559' ' ' CYS . . . . . . . . . . . . . 24.2 t . . . . . 0 N--CA 1.454 -0.23 0 N-CA-C 108.34 -0.985 . . . . 1.0 108.34 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 560' ' ' ILE . . . . . 0.761 HD11 ' HA ' ' A' ' 585' ' ' PRO . 12.5 mt -87.32 -55.72 6.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.49 1.119 . . . . 1.0 109.364 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 561' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.15 153.36 41.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.587 1.18 . . . . 1.0 111.046 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 562' ' ' HIS . . . . . . . . . . . . . 14.1 p-80 -151.61 169.81 21.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.086 . . . . 1.0 109.636 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 563' ' ' GLY . . . . . 0.474 ' O ' ' CD1' ' A' ' 580' ' ' TYR . . . 138.31 -158.26 24.8 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.491 1.12 . . . . 1.0 111.019 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 564' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -92.57 127.07 37.93 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.403 0.708 . . . . 1.0 111.041 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 565' ' ' MET . . . . . 0.661 ' O ' ' O ' ' A' ' 579' ' ' ARG . 0.0 OUTLIER -145.67 133.98 21.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.1 . . . . 1.0 111.022 -179.909 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 566' ' ' SER . . . . . 0.435 ' HB2' ' HA ' ' A' ' 578' ' ' ARG . 0.4 OUTLIER -102.39 138.98 38.6 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.54 1.15 . . . . 1.0 109.992 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 567' ' ' LYS . . . . . 0.551 ' HB3' ' CZ ' ' A' ' 581' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.58 1.175 . . . . 1.0 109.283 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 578' ' ' ARG . . . . . 0.435 ' HA ' ' HB2' ' A' ' 566' ' ' SER . 1.5 mpt_? . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 110.231 -0.285 . . . . 1.0 110.231 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 579' ' ' ARG . . . . . 0.661 ' O ' ' O ' ' A' ' 565' ' ' MET . 3.0 mmm-85 -135.53 166.17 23.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 1.0 110.26 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 580' ' ' TYR . . . . . 0.474 ' CD1' ' O ' ' A' ' 563' ' ' GLY . 0.4 OUTLIER -87.58 122.64 31.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 1.0 111.031 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 581' ' ' PHE . . . . . 0.579 ' CD2' ' HE3' ' A' ' 565' ' ' MET . 8.8 m-85 -116.0 157.56 24.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 1.0 110.951 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 582' ' ' TYR . . . . . 0.726 ' O ' ' CD1' ' A' ' 582' ' ' TYR . 0.2 OUTLIER -142.95 124.16 14.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 1.0 110.998 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 583' ' ' LEU . . . . . 0.807 ' HB2' ' CZ3' ' A' ' 643' ' ' TRP . 6.5 tp -97.48 127.72 43.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.161 . . . . 1.0 109.282 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 584' ' ' PHE . . . . . 0.622 ' O ' HD12 ' A' ' 560' ' ' ILE . 0.3 OUTLIER -115.09 176.95 1.3 Allowed Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.46 1.1 . . . . 1.0 110.954 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 585' ' ' PRO . . . . . 0.761 ' HA ' HD11 ' A' ' 560' ' ' ILE . 18.1 Cg_endo -75.04 0.77 8.52 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.506 1.792 . . . . 1.0 111.011 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 586' ' ' ASN . . . . . 0.698 ' HA ' ' CG ' ' A' ' 603' ' ' MET . 1.1 m120 -166.67 -41.81 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.517 1.136 . . . . 1.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 587' ' ' ARG . . . . . 0.497 ' HA ' ' HA ' ' A' ' 602' ' ' THR . 6.3 mtp180 -87.32 179.52 6.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 1.0 110.3 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 588' ' ' LEU . . . . . 0.46 HD22 ' CD1' ' A' ' 583' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.643 1.214 . . . . 1.0 109.266 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 1.7 mm? . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.297 -0.631 . . . . 1.0 109.297 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 602' ' ' THR . . . . . 0.678 HG22 ' O ' ' A' ' 586' ' ' ASN . 0.0 OUTLIER -105.72 -159.35 0.7 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 1.0 110.375 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 603' ' ' MET . . . . . 1.014 ' HE3' ' HB2' ' A' ' 654' ' ' ALA . 0.0 OUTLIER -128.38 33.99 4.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.546 1.154 . . . . 1.0 111.005 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 604' ' ' GLU . . . . . 0.917 ' HB3' ' HB1' ' A' ' 654' ' ' ALA . 9.9 pt-20 -125.49 61.45 1.22 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 1.0 110.313 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 605' ' ' GLU . . . . . 0.458 ' O ' ' C ' ' A' ' 606' ' ' ILE . 2.7 pt-20 -159.09 -49.45 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 1.0 110.284 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 606' ' ' ILE . . . . . 1.193 HG21 ' CD2' ' A' ' 651' ' ' TYR . 1.2 mp -36.25 139.77 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.127 . . . . 1.0 109.258 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 607' ' ' GLN . . . . . 0.563 ' CG ' ' CB ' ' A' ' 625' ' ' ARG . 0.0 OUTLIER -95.96 -35.44 11.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 1.0 110.301 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 1.3 m -172.59 135.38 0.68 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 1.0 109.995 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 609' ' ' VAL . . . . . 0.887 HG22 ' CD ' ' A' ' 644' ' ' LYS . 3.7 p -107.73 140.6 25.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.15 . . . . 1.0 109.304 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 610' ' ' GLU . . . . . 0.755 ' HG3' HD23 ' A' ' 621' ' ' LEU . 0.1 OUTLIER -156.99 -166.26 2.04 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.408 1.067 . . . . 1.0 110.255 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 611' ' ' GLU . . . . . 0.554 ' HA ' ' HA ' ' A' ' 620' ' ' LEU . 19.2 tt0 -145.39 143.18 29.95 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.34 1.025 . . . . 1.0 110.363 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 612' ' ' THR . . . . . 0.766 HG23 ' HG3' ' A' ' 618' ' ' LYS . 0.0 OUTLIER -103.83 165.86 10.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.44 1.087 . . . . 1.0 110.412 179.905 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -132.03 161.29 33.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.374 1.046 . . . . 1.0 110.294 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 614' ' ' ILE . . . . . 0.79 HG22 ' O ' ' A' ' 614' ' ' ILE . 0.2 OUTLIER -145.98 84.94 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.123 . . . . 1.0 109.291 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 615' ' ' LYS . . . . . 0.43 ' HB2' ' O ' ' A' ' 614' ' ' ILE . 37.6 mmtt 82.07 -34.19 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 1.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 616' ' ' GLU . . . . . 0.43 ' H ' ' C ' ' A' ' 614' ' ' ILE . 3.8 tt0 -155.66 -49.42 0.08 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.556 1.16 . . . . 1.0 110.284 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 10.0 ttt85 -155.35 139.42 16.45 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 1.0 110.295 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 618' ' ' LYS . . . . . 0.766 ' HG3' HG23 ' A' ' 612' ' ' THR . 10.6 tptt -118.46 -96.71 0.47 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.567 1.167 . . . . 1.0 109.279 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 619' ' ' CYS . . . . . 0.51 ' O ' ' CG ' ' A' ' 611' ' ' GLU . 14.7 m -157.86 -176.91 6.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 1.0 108.208 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 620' ' ' LEU . . . . . 1.069 ' CD1' HD12 ' A' ' 640' ' ' LEU . 0.2 OUTLIER -95.93 150.5 20.37 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.515 1.135 . . . . 1.0 109.308 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 621' ' ' LEU . . . . . 0.755 HD23 ' HG3' ' A' ' 610' ' ' GLU . 0.4 OUTLIER -110.73 160.17 16.95 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.569 1.168 . . . . 1.0 109.265 -179.941 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 622' ' ' LEU . . . . . 0.911 ' CD1' HD11 ' A' ' 632' ' ' LEU . 9.0 mt -154.71 85.44 1.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 1.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 623' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.69 137.46 32.81 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 1.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 624' ' ' ILE . . . . . 0.92 HG22 ' H ' ' A' ' 626' ' ' GLY . 67.1 mt -105.92 145.77 13.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 1.0 109.299 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 625' ' ' ARG . . . . . 0.563 ' CB ' ' CG ' ' A' ' 607' ' ' GLN . 13.6 ptt180 -77.46 2.23 16.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 1.0 110.289 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 626' ' ' GLY . . . . . 0.92 ' H ' HG22 ' A' ' 624' ' ' ILE . . . -90.15 -19.49 46.15 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.469 1.105 . . . . 1.0 110.981 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 112.68 41.08 1.05 Allowed Glycine 0 CA--C 1.53 1.002 0 N-CA-C 110.991 -0.844 . . . . 1.0 110.991 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 628' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.89 169.96 16.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 0.782 . . . . 1.0 109.34 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 9.2 mp0 -141.46 147.48 37.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.145 . . . . 1.0 110.349 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 630' ' ' PHE . . . . . 0.506 ' CD1' ' HE2' ' A' ' 567' ' ' LYS . 0.6 OUTLIER -133.35 150.0 51.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.529 1.143 . . . . 1.0 110.868 -179.917 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 631' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -128.37 121.8 56.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 1.0 109.343 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 632' ' ' LEU . . . . . 0.911 HD11 ' CD1' ' A' ' 622' ' ' LEU . 0.9 OUTLIER -105.75 154.99 19.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 1.0 109.329 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 633' ' ' GLN . . . . . 0.458 ' HB2' ' SG ' ' A' ' 619' ' ' CYS . 64.1 tt0 -155.48 134.83 12.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.58 1.175 . . . . 1.0 110.29 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 634' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -143.06 155.18 44.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.107 . . . . 1.0 108.307 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 635' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -78.81 -19.73 51.41 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.532 1.145 . . . . 1.0 109.246 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 636' ' ' SER . . . . . 0.515 ' HB2' ' CG ' ' A' ' 639' ' ' GLU . 0.8 OUTLIER -96.4 146.29 24.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.589 1.18 . . . . 1.0 110.021 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 637' ' ' ASP . . . . . 0.723 ' N ' ' CD ' ' A' ' 638' ' ' PRO . 0.5 OUTLIER -79.14 -38.25 1.31 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.088 . . . . 1.0 109.31 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 638' ' ' PRO . . . . . 0.723 ' CD ' ' N ' ' A' ' 637' ' ' ASP . 18.3 Cg_endo -74.97 -61.54 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.403 1.738 . . . . 1.0 110.983 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 639' ' ' GLU . . . . . 0.599 ' C ' ' O ' ' A' ' 638' ' ' PRO . 72.6 mm-40 -21.38 -80.07 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.507 1.129 . . . . 1.0 110.308 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 640' ' ' LEU . . . . . 1.069 HD12 ' CD1' ' A' ' 620' ' ' LEU . 0.2 OUTLIER -50.2 -50.71 48.62 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 1.0 109.253 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 641' ' ' VAL . . . . . 0.585 HG12 ' N ' ' A' ' 642' ' ' GLN . 1.1 t -43.24 -59.88 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 1.0 109.243 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 642' ' ' GLN . . . . . 0.585 ' N ' HG12 ' A' ' 641' ' ' VAL . 0.0 OUTLIER -58.91 -40.65 85.15 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.541 1.151 . . . . 1.0 110.292 -179.923 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 643' ' ' TRP . . . . . 0.807 ' CZ3' ' HB2' ' A' ' 583' ' ' LEU . 15.3 m95 -51.76 -50.3 60.95 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 107.979 -1.119 . . . . 1.0 107.979 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 644' ' ' LYS . . . . . 0.887 ' CD ' HG22 ' A' ' 609' ' ' VAL . 0.3 OUTLIER -52.63 -60.14 3.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 1.0 109.256 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 645' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 644' ' ' LYS . 0.0 OUTLIER -38.61 -49.25 1.52 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.608 1.193 . . . . 1.0 109.236 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 646' ' ' GLU . . . . . 0.604 ' CB ' HD23 ' A' ' 583' ' ' LEU . 1.8 mt-10 -73.38 -37.39 66.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 1.0 110.333 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 647' ' ' LEU . . . . . 0.585 HD12 ' C ' ' A' ' 643' ' ' TRP . 0.4 OUTLIER -67.45 -62.77 1.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.103 . . . . 1.0 109.198 -179.874 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 648' ' ' ARG . . . . . 0.559 ' N ' ' O ' ' A' ' 644' ' ' LYS . 0.1 OUTLIER -39.12 -50.64 1.88 Allowed 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.478 1.111 . . . . 1.0 110.288 -179.932 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 649' ' ' ASP . . . . . 0.54 ' HA ' ' CD ' ' A' ' 652' ' ' ARG . 13.6 t70 -65.95 -55.15 18.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 1.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 650' ' ' ALA . . . . . 0.635 ' HB1' ' SD ' ' A' ' 603' ' ' MET . . . -37.67 -40.16 0.39 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.649 1.218 . . . . 1.0 109.453 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 651' ' ' TYR . . . . . 1.193 ' CD2' HG21 ' A' ' 606' ' ' ILE . 14.6 m-30 -80.24 -40.71 26.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 1.0 110.986 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 652' ' ' ARG . . . . . 0.54 ' CD ' ' HA ' ' A' ' 649' ' ' ASP . 0.1 OUTLIER -69.63 -35.16 74.98 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.559 1.162 . . . . 1.0 110.259 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 653' ' ' GLU . . . . . 0.49 ' N ' ' O ' ' A' ' 649' ' ' ASP . 0.9 OUTLIER -70.99 -35.7 72.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 1.0 110.322 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 654' ' ' ALA . . . . . 1.014 ' HB2' ' HE3' ' A' ' 603' ' ' MET . . . -78.73 -53.54 7.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 1.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 655' ' ' GLN . . . . . 0.506 ' HG2' ' O ' ' A' ' 652' ' ' ARG . 12.2 pt20 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 1.0 110.352 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 559' ' ' CYS . . . . . . . . . . . . . 8.3 t . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 108.257 -1.016 . . . . 1.0 108.257 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 560' ' ' ILE . . . . . 0.951 HD11 ' HA ' ' A' ' 585' ' ' PRO . 10.6 mt -96.54 -52.75 8.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 1.0 109.258 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 561' ' ' MET . . . . . 0.485 ' CE ' ' OE2' ' A' ' 646' ' ' GLU . 0.4 OUTLIER -150.3 154.45 37.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.394 1.059 . . . . 1.0 111.018 -179.909 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 562' ' ' HIS . . . . . . . . . . . . . 4.3 p80 -147.51 155.84 42.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 1.0 109.637 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 563' ' ' GLY . . . . . 0.461 ' N ' ' HZ2' ' A' ' 643' ' ' TRP . . . 168.03 -168.64 40.91 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.456 1.097 . . . . 1.0 111.012 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 564' ' ' TYR . . . . . 0.465 ' O ' ' SG ' ' A' ' 634' ' ' CYS . 0.3 OUTLIER -94.72 124.17 38.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 0.776 . . . . 1.0 111.11 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 565' ' ' MET . . . . . 0.537 ' O ' ' O ' ' A' ' 579' ' ' ARG . 5.4 mtm -143.92 151.44 39.8 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.516 1.135 . . . . 1.0 111.027 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.72 148.43 44.63 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.464 1.103 . . . . 1.0 109.929 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 567' ' ' LYS . . . . . 0.603 ' HA ' ' HA ' ' A' ' 632' ' ' LEU . 35.5 ttpt . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.561 1.163 . . . . 1.0 109.306 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 578' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.262 -0.273 . . . . 1.0 110.262 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 579' ' ' ARG . . . . . 0.537 ' O ' ' O ' ' A' ' 565' ' ' MET . 13.6 mtp85 -118.39 163.63 16.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 1.0 110.32 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 580' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -87.65 120.73 29.26 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.14 . . . . 1.0 111.036 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 581' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -108.04 161.23 15.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.137 . . . . 1.0 110.974 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 582' ' ' TYR . . . . . 0.416 ' O ' ' HA ' ' A' ' 588' ' ' LEU . 14.8 m-85 -147.53 110.23 4.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.411 1.069 . . . . 1.0 110.985 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 583' ' ' LEU . . . . . 0.856 HD23 ' O ' ' A' ' 583' ' ' LEU . 0.5 OUTLIER -89.32 113.74 25.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 1.0 109.304 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 584' ' ' PHE . . . . . 0.594 ' CD2' ' HD2' ' A' ' 585' ' ' PRO . 0.2 OUTLIER -97.35 179.96 1.0 Allowed Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.524 1.14 . . . . 1.0 111.109 179.916 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 585' ' ' PRO . . . . . 0.951 ' HA ' HD11 ' A' ' 560' ' ' ILE . 18.3 Cg_endo -74.99 9.08 2.14 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.516 1.798 . . . . 1.0 111.025 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 586' ' ' ASN . . . . . 0.759 ' OD1' ' HB2' ' A' ' 654' ' ' ALA . 20.8 m-20 179.95 -41.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 1.0 109.366 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 587' ' ' ARG . . . . . 0.477 ' HA ' ' HA ' ' A' ' 602' ' ' THR . 0.0 OUTLIER -89.98 -172.93 3.69 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.506 1.129 . . . . 1.0 110.273 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 588' ' ' LEU . . . . . 0.842 ' C ' HD12 ' A' ' 588' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 1.0 109.252 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.231 -0.655 . . . . 1.0 109.231 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 602' ' ' THR . . . . . 0.477 ' HA ' ' HA ' ' A' ' 587' ' ' ARG . 0.2 OUTLIER -113.8 -177.39 3.12 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.552 1.158 . . . . 1.0 110.424 179.93 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 603' ' ' MET . . . . . 0.705 ' SD ' HD23 ' A' ' 588' ' ' LEU . 0.0 OUTLIER -128.36 42.5 3.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 1.0 111.035 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 604' ' ' GLU . . . . . 0.88 ' HB3' ' HB1' ' A' ' 654' ' ' ALA . 12.5 pt-20 -124.3 57.26 1.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.421 1.076 . . . . 1.0 110.273 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 605' ' ' GLU . . . . . 0.475 ' O ' ' C ' ' A' ' 606' ' ' ILE . 1.5 pt-20 -156.76 -42.08 0.07 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.603 1.189 . . . . 1.0 110.232 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 606' ' ' ILE . . . . . 1.091 HG21 ' CD2' ' A' ' 651' ' ' TYR . 1.1 mp -34.56 135.89 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 1.0 109.281 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 607' ' ' GLN . . . . . 0.44 ' HG2' ' CB ' ' A' ' 625' ' ' ARG . 1.0 OUTLIER -90.89 -37.46 13.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 1.0 110.304 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -174.42 134.98 0.42 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.574 1.171 . . . . 1.0 110.001 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 609' ' ' VAL . . . . . 1.068 HG22 ' CD ' ' A' ' 644' ' ' LYS . 5.8 p -108.08 142.87 19.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.57 1.169 . . . . 1.0 109.343 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 610' ' ' GLU . . . . . 0.846 ' CG ' HD23 ' A' ' 621' ' ' LEU . 0.1 OUTLIER -162.71 -171.23 2.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 1.0 110.322 179.93 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 611' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -115.24 177.65 4.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.452 1.095 . . . . 1.0 110.305 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 612' ' ' THR . . . . . 0.673 ' O ' ' CB ' ' A' ' 618' ' ' LYS . 3.8 t -156.94 153.12 27.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.583 1.177 . . . . 1.0 110.455 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -116.25 174.24 6.16 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.415 1.072 . . . . 1.0 110.276 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 614' ' ' ILE . . . . . 0.834 HG23 ' O ' ' A' ' 614' ' ' ILE . 0.0 OUTLIER -152.13 41.13 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.113 . . . . 1.0 109.325 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 615' ' ' LYS . . . . . 0.432 ' HB2' ' O ' ' A' ' 614' ' ' ILE . 27.3 mmtt 82.75 -21.02 0.31 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.434 1.084 . . . . 1.0 109.284 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 616' ' ' GLU . . . . . 0.443 ' O ' ' CD ' ' A' ' 618' ' ' LYS . 1.1 tt0 -160.07 -54.52 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 1.0 110.304 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 617' ' ' ARG . . . . . 0.511 ' C ' ' CD ' ' A' ' 618' ' ' LYS . 1.4 ttt180 -85.35 152.0 23.59 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.399 1.062 . . . . 1.0 110.229 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 618' ' ' LYS . . . . . 0.673 ' CB ' ' O ' ' A' ' 612' ' ' THR . 0.0 OUTLIER -136.27 165.35 25.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.582 1.176 . . . . 1.0 109.293 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 619' ' ' CYS . . . . . 0.447 ' SG ' ' C ' ' A' ' 618' ' ' LYS . 6.6 m -151.58 151.96 32.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 1.0 108.263 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 620' ' ' LEU . . . . . 1.033 ' CD1' HD12 ' A' ' 640' ' ' LEU . 0.3 OUTLIER -85.34 122.54 29.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 1.0 109.288 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 621' ' ' LEU . . . . . 0.846 HD23 ' CG ' ' A' ' 610' ' ' GLU . 0.7 OUTLIER -84.32 158.2 21.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 1.0 109.288 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 622' ' ' LEU . . . . . 0.914 HD23 HG12 ' A' ' 606' ' ' ILE . 0.1 OUTLIER -155.5 77.65 0.99 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 1.0 109.342 -179.936 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 623' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.25 137.37 38.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 1.0 109.204 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 624' ' ' ILE . . . . . 0.549 HG22 ' H ' ' A' ' 626' ' ' GLY . 5.0 mt -102.45 149.48 6.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.567 1.167 . . . . 1.0 109.271 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 625' ' ' ARG . . . . . 0.44 ' CB ' ' HG2' ' A' ' 607' ' ' GLN . 13.9 ptt180 -77.96 3.5 14.49 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.46 1.1 . . . . 1.0 110.315 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 626' ' ' GLY . . . . . 0.549 ' H ' HG22 ' A' ' 624' ' ' ILE . . . -96.56 -19.98 25.95 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.547 1.154 . . . . 1.0 110.987 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 112.56 33.5 2.07 Favored Glycine 0 CA--C 1.529 0.959 0 N-CA-C 111.053 -0.819 . . . . 1.0 111.053 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 628' ' ' LYS . . . . . . . . . . . . . 2.7 mttt -128.69 133.22 48.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 0.762 . . . . 1.0 109.313 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -110.85 136.77 49.4 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.46 1.1 . . . . 1.0 110.279 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 630' ' ' PHE . . . . . 0.49 ' O ' ' N ' ' A' ' 622' ' ' LEU . 4.8 m-85 -131.67 141.62 49.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.586 1.179 . . . . 1.0 111.019 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 631' ' ' ILE . . . . . 0.653 HD12 ' HA ' ' A' ' 621' ' ' LEU . 0.6 OUTLIER -135.39 103.72 4.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 1.0 109.267 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 632' ' ' LEU . . . . . 0.84 HD21 HD13 ' A' ' 622' ' ' LEU . 0.1 OUTLIER -106.76 153.6 22.21 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.533 1.146 . . . . 1.0 109.264 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 633' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -143.73 152.48 41.32 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.574 1.171 . . . . 1.0 110.29 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 634' ' ' CYS . . . . . 0.651 ' HB2' HD23 ' A' ' 640' ' ' LEU . 2.0 t -134.65 178.56 6.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 1.0 108.253 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 635' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.03 -21.39 23.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 1.0 109.3 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 636' ' ' SER . . . . . 0.614 ' CB ' ' CG ' ' A' ' 639' ' ' GLU . 0.8 OUTLIER -86.98 145.32 26.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.559 1.162 . . . . 1.0 109.981 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 637' ' ' ASP . . . . . 0.603 ' N ' ' CD ' ' A' ' 638' ' ' PRO . 0.2 OUTLIER -85.17 -46.81 0.63 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 1.0 109.29 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 638' ' ' PRO . . . . . 0.603 ' CD ' ' N ' ' A' ' 637' ' ' ASP . 18.3 Cg_endo -74.98 -48.94 0.16 Allowed 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.43 1.753 . . . . 1.0 111.051 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 639' ' ' GLU . . . . . 0.614 ' CG ' ' CB ' ' A' ' 636' ' ' SER . 43.0 mm-40 -27.71 -81.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.421 1.076 . . . . 1.0 110.245 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 640' ' ' LEU . . . . . 1.033 HD12 ' CD1' ' A' ' 620' ' ' LEU . 0.2 OUTLIER -47.34 -45.5 24.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.15 . . . . 1.0 109.328 179.951 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 641' ' ' VAL . . . . . 0.601 HG12 ' N ' ' A' ' 642' ' ' GLN . 0.7 OUTLIER -47.59 -56.21 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.586 1.179 . . . . 1.0 109.293 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 642' ' ' GLN . . . . . 0.601 ' N ' HG12 ' A' ' 641' ' ' VAL . 1.1 mt-30 -65.74 -38.46 89.19 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.585 1.178 . . . . 1.0 110.315 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 643' ' ' TRP . . . . . 0.539 ' CZ3' ' CB ' ' A' ' 583' ' ' LEU . 14.7 m95 -56.74 -44.43 81.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 1.0 108.006 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 644' ' ' LYS . . . . . 1.068 ' CD ' HG22 ' A' ' 609' ' ' VAL . 4.7 ttpp -54.64 -57.42 11.52 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 1.0 109.338 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 645' ' ' LYS . . . . . 0.408 ' HB3' ' OE1' ' A' ' 646' ' ' GLU . 5.9 tmtt? -41.11 -53.02 3.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.441 1.088 . . . . 1.0 109.326 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 646' ' ' GLU . . . . . 0.684 ' HG2' HG22 ' A' ' 560' ' ' ILE . 0.7 OUTLIER -69.34 -34.83 75.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.417 1.073 . . . . 1.0 110.377 179.928 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 647' ' ' LEU . . . . . 0.967 HD22 ' OH ' ' A' ' 651' ' ' TYR . 33.7 mt -65.32 -63.78 1.02 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 1.0 109.303 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 648' ' ' ARG . . . . . 0.611 ' HG3' ' CG1' ' A' ' 609' ' ' VAL . 0.0 OUTLIER -38.18 -50.98 1.44 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.461 1.1 . . . . 1.0 110.347 -179.933 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 649' ' ' ASP . . . . . 0.494 ' O ' ' N ' ' A' ' 652' ' ' ARG . 13.8 t70 -68.0 -54.8 15.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 1.0 109.336 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 650' ' ' ALA . . . . . . . . . . . . . . . -39.44 -39.29 0.66 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 1.0 109.308 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 651' ' ' TYR . . . . . 1.091 ' CD2' HG21 ' A' ' 606' ' ' ILE . 4.6 m-30 -79.33 -38.67 34.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.426 1.079 . . . . 1.0 111.083 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 652' ' ' ARG . . . . . 0.564 ' HA ' ' HG2' ' A' ' 655' ' ' GLN . 0.8 OUTLIER -72.35 -40.83 67.08 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.537 1.148 . . . . 1.0 110.392 179.877 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 653' ' ' GLU . . . . . 0.48 ' N ' ' CG ' ' A' ' 652' ' ' ARG . 0.1 OUTLIER -66.66 -35.01 79.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 1.0 110.323 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 654' ' ' ALA . . . . . 0.88 ' HB1' ' HB3' ' A' ' 604' ' ' GLU . . . -78.25 -55.36 5.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.16 . . . . 1.0 109.422 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 655' ' ' GLN . . . . . 0.564 ' HG2' ' HA ' ' A' ' 652' ' ' ARG . 17.3 pt20 . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.566 1.167 . . . . 1.0 110.211 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 559' ' ' CYS . . . . . 0.425 ' SG ' ' O ' ' A' ' 583' ' ' LEU . 53.8 t . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 108.337 -0.986 . . . . 1.0 108.337 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 560' ' ' ILE . . . . . 0.922 HG22 ' CG ' ' A' ' 646' ' ' GLU . 55.2 mt -69.25 -60.11 2.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.582 1.177 . . . . 1.0 109.329 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 561' ' ' MET . . . . . 0.566 ' HB2' ' HG2' ' A' ' 646' ' ' GLU . 0.0 OUTLIER -149.23 161.35 42.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.434 1.084 . . . . 1.0 111.003 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 562' ' ' HIS . . . . . 0.408 ' HA ' ' CZ2' ' A' ' 643' ' ' TRP . 0.8 OUTLIER -160.23 151.48 19.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 1.0 109.592 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 563' ' ' GLY . . . . . . . . . . . . . . . 167.86 -164.15 37.73 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.478 1.111 . . . . 1.0 111.004 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 564' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -104.55 123.57 47.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 0.772 . . . . 1.0 111.021 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 565' ' ' MET . . . . . 0.573 ' HA ' ' SG ' ' A' ' 634' ' ' CYS . 10.9 ptm -151.17 142.67 23.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 1.0 111.011 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 566' ' ' SER . . . . . 0.543 ' OG ' ' CG ' ' A' ' 633' ' ' GLN . 1.0 OUTLIER -86.02 155.89 20.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.43 1.081 . . . . 1.0 109.999 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 567' ' ' LYS . . . . . 0.672 ' HD2' HD22 ' A' ' 632' ' ' LEU . 3.0 tttp . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.387 1.054 . . . . 1.0 109.334 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 578' ' ' ARG . . . . . 0.429 ' O ' ' HG2' ' A' ' 578' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 110.349 -0.241 . . . . 1.0 110.349 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 579' ' ' ARG . . . . . 0.525 ' O ' ' O ' ' A' ' 565' ' ' MET . 0.6 OUTLIER -140.78 164.78 29.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 1.0 110.276 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 580' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -89.15 125.93 35.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.555 1.159 . . . . 1.0 111.044 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 581' ' ' PHE . . . . . 0.497 ' HD2' HD11 ' A' ' 588' ' ' LEU . 25.7 m-85 -120.33 163.76 17.34 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.449 1.093 . . . . 1.0 110.987 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 582' ' ' TYR . . . . . 0.619 ' CA ' ' HH2' ' A' ' 643' ' ' TRP . 14.4 m-85 -139.36 121.18 15.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 1.0 110.951 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 583' ' ' LEU . . . . . 0.852 HD23 ' CB ' ' A' ' 646' ' ' GLU . 7.7 tp -88.31 102.74 15.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.566 1.166 . . . . 1.0 109.252 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 584' ' ' PHE . . . . . 0.435 ' HB2' ' O ' ' A' ' 587' ' ' ARG . 0.3 OUTLIER -104.31 152.71 39.29 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 1.0 111.009 179.91 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 585' ' ' PRO . . . . . 0.644 ' O ' ' CB ' ' A' ' 586' ' ' ASN . 18.4 Cg_endo -75.04 66.83 6.04 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.386 1.729 . . . . 1.0 110.983 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 586' ' ' ASN . . . . . 0.769 ' CA ' ' HG2' ' A' ' 603' ' ' MET . 24.2 m-20 142.24 -40.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.085 . . . . 1.0 109.317 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 587' ' ' ARG . . . . . 0.549 ' HA ' ' HA ' ' A' ' 602' ' ' THR . 0.1 OUTLIER -122.53 -175.94 3.26 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.482 1.114 . . . . 1.0 110.261 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 588' ' ' LEU . . . . . 0.497 HD11 ' HD2' ' A' ' 581' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 1.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 601' ' ' LEU . . . . . 0.429 ' O ' ' HA ' ' A' ' 587' ' ' ARG . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.364 0 N-CA-C 109.36 -0.608 . . . . 1.0 109.36 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 602' ' ' THR . . . . . 0.581 ' HA ' ' O ' ' A' ' 586' ' ' ASN . 0.0 OUTLIER -104.63 -172.85 2.18 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.445 1.09 . . . . 1.0 110.395 -179.937 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 603' ' ' MET . . . . . 0.769 ' HG2' ' CA ' ' A' ' 586' ' ' ASN . 0.0 OUTLIER -129.31 30.11 5.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 1.0 110.976 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 604' ' ' GLU . . . . . 0.532 ' HB3' ' HB1' ' A' ' 654' ' ' ALA . 7.0 pt-20 -123.82 58.43 1.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 1.0 110.271 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 605' ' ' GLU . . . . . 0.495 ' HB2' HG23 ' A' ' 624' ' ' ILE . 3.3 pt-20 -157.76 -51.49 0.07 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.527 1.142 . . . . 1.0 110.321 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 606' ' ' ILE . . . . . 1.296 HG21 ' CD2' ' A' ' 651' ' ' TYR . 0.9 OUTLIER -35.36 135.01 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.57 1.169 . . . . 1.0 109.322 179.945 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 607' ' ' GLN . . . . . 0.551 ' HG2' ' CB ' ' A' ' 625' ' ' ARG . 0.0 OUTLIER -87.42 -37.21 17.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.424 1.078 . . . . 1.0 110.367 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 608' ' ' SER . . . . . 0.427 ' HB2' ' HD3' ' A' ' 623' ' ' LYS . 3.5 m -174.9 134.18 0.35 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 1.0 109.98 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 609' ' ' VAL . . . . . 1.09 HG22 ' CD ' ' A' ' 644' ' ' LYS . 3.3 p -104.12 127.99 57.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 1.0 109.363 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 610' ' ' GLU . . . . . 0.949 ' HG3' HD23 ' A' ' 621' ' ' LEU . 3.1 pt-20 -150.39 -170.27 3.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 1.0 110.317 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 611' ' ' GLU . . . . . 0.546 ' HA ' ' HA ' ' A' ' 620' ' ' LEU . 18.7 tt0 -140.39 142.39 35.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 1.0 110.32 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 612' ' ' THR . . . . . 0.781 HG23 ' HG3' ' A' ' 618' ' ' LYS . 0.0 OUTLIER -102.95 164.49 11.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 1.0 110.393 -179.919 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 60.5 mt-30 -129.89 160.86 32.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 1.0 110.337 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 614' ' ' ILE . . . . . 0.8 HG22 ' O ' ' A' ' 614' ' ' ILE . 0.1 OUTLIER -145.55 84.33 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.422 1.076 . . . . 1.0 109.379 179.934 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 615' ' ' LYS . . . . . 0.416 ' HB2' ' O ' ' A' ' 614' ' ' ILE . 2.8 mmmt 81.89 -33.18 0.1 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.456 1.097 . . . . 1.0 109.273 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 616' ' ' GLU . . . . . 0.44 ' H ' ' C ' ' A' ' 614' ' ' ILE . 3.5 tt0 -156.23 -48.41 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.596 1.185 . . . . 1.0 110.294 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -157.18 138.23 13.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.59 1.181 . . . . 1.0 110.27 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 618' ' ' LYS . . . . . 0.781 ' HG3' HG23 ' A' ' 612' ' ' THR . 11.4 tptt -116.33 -97.16 0.46 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.418 1.074 . . . . 1.0 109.323 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 619' ' ' CYS . . . . . 0.473 ' O ' ' CG ' ' A' ' 611' ' ' GLU . 52.9 m -157.29 -178.91 7.7 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.564 1.165 . . . . 1.0 108.326 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 620' ' ' LEU . . . . . 1.049 ' CD1' HD12 ' A' ' 640' ' ' LEU . 0.2 OUTLIER -96.39 141.19 30.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 1.0 109.314 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 621' ' ' LEU . . . . . 0.949 HD23 ' HG3' ' A' ' 610' ' ' GLU . 1.0 OUTLIER -105.28 162.89 13.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 1.0 109.376 179.94 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 622' ' ' LEU . . . . . 0.933 HD13 HD21 ' A' ' 632' ' ' LEU . 0.1 OUTLIER -160.57 78.09 0.62 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 1.0 109.298 -179.919 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 623' ' ' LYS . . . . . 0.427 ' HD3' ' HB2' ' A' ' 608' ' ' SER . 0.0 OUTLIER -76.38 141.03 41.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.393 1.058 . . . . 1.0 109.292 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 624' ' ' ILE . . . . . 0.928 HG22 ' H ' ' A' ' 626' ' ' GLY . 56.3 mt -106.24 145.64 13.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 1.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 625' ' ' ARG . . . . . 0.551 ' CB ' ' HG2' ' A' ' 607' ' ' GLN . 20.5 ptt180 -77.65 2.88 15.33 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.524 1.14 . . . . 1.0 110.252 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 626' ' ' GLY . . . . . 0.928 ' H ' HG22 ' A' ' 624' ' ' ILE . . . -93.6 -22.9 25.13 Favored Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.517 1.136 . . . . 1.0 110.942 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 114.2 41.42 0.9 Allowed Glycine 0 CA--C 1.529 0.956 0 N-CA-C 111.058 -0.817 . . . . 1.0 111.058 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 628' ' ' LYS . . . . . . . . . . . . . 4.5 mtmt -147.21 120.79 9.13 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.469 0.747 . . . . 1.0 109.257 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 629' ' ' GLN . . . . . 0.401 ' HA ' ' HA ' ' A' ' 623' ' ' LYS . 3.4 mp0 -99.54 148.51 24.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.578 1.174 . . . . 1.0 110.379 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 630' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -127.21 157.46 39.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 1.0 111.053 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 631' ' ' ILE . . . . . 0.651 HD13 ' O ' ' A' ' 620' ' ' LEU . 0.5 OUTLIER -144.35 103.72 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 1.0 109.264 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 632' ' ' LEU . . . . . 0.933 HD21 HD13 ' A' ' 622' ' ' LEU . 0.2 OUTLIER -116.89 166.2 12.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.155 . . . . 1.0 109.294 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 633' ' ' GLN . . . . . 0.543 ' CG ' ' OG ' ' A' ' 566' ' ' SER . 12.1 pt20 -146.42 174.15 11.65 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.432 1.082 . . . . 1.0 110.296 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 634' ' ' CYS . . . . . 0.742 ' HB2' HD23 ' A' ' 640' ' ' LEU . 0.5 OUTLIER -155.32 160.51 40.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 1.0 108.238 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 635' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.21 -14.38 33.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.41 1.069 . . . . 1.0 109.247 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 636' ' ' SER . . . . . 0.58 ' CB ' ' CG ' ' A' ' 639' ' ' GLU . 2.4 m -95.35 161.72 13.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 1.0 110.067 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 637' ' ' ASP . . . . . 0.554 ' N ' ' CD ' ' A' ' 638' ' ' PRO . 0.4 OUTLIER -92.26 -49.57 0.3 Allowed Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.46 1.1 . . . . 1.0 109.284 -179.941 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 638' ' ' PRO . . . . . 0.566 ' O ' ' C ' ' A' ' 639' ' ' GLU . 18.5 Cg_endo -74.99 -52.25 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.474 1.776 . . . . 1.0 111.029 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 639' ' ' GLU . . . . . 0.58 ' CG ' ' CB ' ' A' ' 636' ' ' SER . 20.3 mm-40 -23.66 -80.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 1.0 110.306 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 640' ' ' LEU . . . . . 1.049 HD12 ' CD1' ' A' ' 620' ' ' LEU . 0.2 OUTLIER -52.34 -47.57 65.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 1.0 109.243 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 641' ' ' VAL . . . . . 0.615 HG12 ' N ' ' A' ' 642' ' ' GLN . 0.8 OUTLIER -44.22 -57.52 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.164 . . . . 1.0 109.234 -179.943 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 642' ' ' GLN . . . . . 0.615 ' N ' HG12 ' A' ' 641' ' ' VAL . 0.1 OUTLIER -63.12 -40.95 99.08 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.403 1.064 . . . . 1.0 110.302 -179.94 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 643' ' ' TRP . . . . . 0.798 ' CZ3' ' HB2' ' A' ' 583' ' ' LEU . 24.1 m95 -54.62 -42.27 70.98 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 107.95 -1.13 . . . . 1.0 107.95 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 644' ' ' LYS . . . . . 1.09 ' CD ' HG22 ' A' ' 609' ' ' VAL . 0.0 OUTLIER -62.56 -55.94 22.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 1.0 109.273 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 11.3 tmtt? -44.12 -53.05 6.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.556 1.16 . . . . 1.0 109.278 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 646' ' ' GLU . . . . . 0.922 ' CG ' HG22 ' A' ' 560' ' ' ILE . 0.3 OUTLIER -68.38 -32.58 72.76 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.521 1.138 . . . . 1.0 110.294 -179.892 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 647' ' ' LEU . . . . . 0.75 HD12 ' C ' ' A' ' 643' ' ' TRP . 1.7 mt -68.15 -61.77 1.7 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.503 1.127 . . . . 1.0 109.245 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 648' ' ' ARG . . . . . 0.472 ' HB3' ' CZ ' ' A' ' 648' ' ' ARG . 1.2 ttp-105 -39.28 -55.13 1.75 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.475 1.109 . . . . 1.0 110.234 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 649' ' ' ASP . . . . . 0.415 ' O ' ' N ' ' A' ' 653' ' ' GLU . 30.0 t0 -61.3 -49.66 76.14 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.484 1.115 . . . . 1.0 109.3 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 650' ' ' ALA . . . . . 0.464 ' O ' ' SD ' ' A' ' 603' ' ' MET . . . -46.45 -50.44 16.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.162 . . . . 1.0 109.267 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 651' ' ' TYR . . . . . 1.296 ' CD2' HG21 ' A' ' 606' ' ' ILE . 19.9 m-30 -71.81 -36.74 70.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.416 1.073 . . . . 1.0 111.027 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 652' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 655' ' ' GLN . 4.9 mmm180 -65.97 -66.34 0.56 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 1.0 110.288 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 653' ' ' GLU . . . . . 0.415 ' N ' ' O ' ' A' ' 649' ' ' ASP . 5.8 mt-10 -40.44 -55.01 2.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.434 1.084 . . . . 1.0 110.258 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 654' ' ' ALA . . . . . 0.532 ' HB1' ' HB3' ' A' ' 604' ' ' GLU . . . -49.56 -41.65 42.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 1.0 109.311 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 655' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 652' ' ' ARG . 72.0 mt-30 . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 1.0 110.274 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 559' ' ' CYS . . . . . 0.676 ' SG ' ' CD1' ' A' ' 584' ' ' PHE . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 108.35 -0.982 . . . . 1.0 108.35 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 560' ' ' ILE . . . . . 0.803 HG22 ' HG2' ' A' ' 646' ' ' GLU . 19.3 mt -86.16 -56.8 4.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.546 1.153 . . . . 1.0 109.241 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 561' ' ' MET . . . . . 0.459 ' SD ' ' CD1' ' A' ' 643' ' ' TRP . 0.0 OUTLIER -144.77 138.17 26.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 1.0 110.992 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 562' ' ' HIS . . . . . . . . . . . . . 2.4 p80 -137.2 147.0 45.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 1.0 109.522 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 563' ' ' GLY . . . . . 0.468 ' N ' ' HZ2' ' A' ' 643' ' ' TRP . . . 174.59 -162.64 32.83 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.533 1.146 . . . . 1.0 110.991 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 564' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -103.71 124.23 48.48 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.537 0.786 . . . . 1.0 111.051 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 565' ' ' MET . . . . . 0.531 ' O ' ' O ' ' A' ' 579' ' ' ARG . 11.6 mtm -128.41 -171.27 2.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 1.0 111.021 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 566' ' ' SER . . . . . 0.584 ' OG ' ' CG ' ' A' ' 633' ' ' GLN . 0.9 OUTLIER -149.31 134.78 18.47 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.497 1.123 . . . . 1.0 110.028 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 567' ' ' LYS . . . . . 0.613 ' HE2' ' CD2' ' A' ' 630' ' ' PHE . 9.4 ttmt . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 1.0 109.281 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 578' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.268 -0.271 . . . . 1.0 110.268 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 579' ' ' ARG . . . . . 0.531 ' O ' ' O ' ' A' ' 565' ' ' MET . 11.4 mmm-85 -134.38 167.1 21.36 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.436 1.085 . . . . 1.0 110.312 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 580' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -85.97 130.93 34.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.45 1.094 . . . . 1.0 110.986 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 581' ' ' PHE . . . . . 0.511 ' O ' ' CD1' ' A' ' 582' ' ' TYR . 1.4 m-85 -114.4 172.79 6.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.349 1.03 . . . . 1.0 110.977 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 582' ' ' TYR . . . . . 0.598 ' O ' ' HA ' ' A' ' 588' ' ' LEU . 5.3 m-85 -157.72 103.72 1.92 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.512 1.133 . . . . 1.0 110.933 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 583' ' ' LEU . . . . . 0.971 HD21 ' HB3' ' A' ' 646' ' ' GLU . 1.4 tt -86.11 110.26 19.42 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.515 1.134 . . . . 1.0 109.348 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 584' ' ' PHE . . . . . 0.676 ' CD1' ' SG ' ' A' ' 559' ' ' CYS . 1.7 m-85 -102.14 174.28 2.98 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 1.0 111.002 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 585' ' ' PRO . . . . . 0.653 ' HA ' HD11 ' A' ' 560' ' ' ILE . 18.0 Cg_endo -75.09 2.06 7.1 Favored 'Trans proline' 0 C--N 1.361 1.232 0 O-C-N 124.398 1.736 . . . . 1.0 110.983 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 586' ' ' ASN . . . . . 0.721 ' HA ' ' CG ' ' A' ' 603' ' ' MET . 68.3 m-80 -165.16 -41.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 1.0 109.31 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 587' ' ' ARG . . . . . 0.574 ' HA ' ' HA ' ' A' ' 602' ' ' THR . 0.1 OUTLIER -87.26 -174.81 5.03 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.494 1.122 . . . . 1.0 110.247 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 588' ' ' LEU . . . . . 0.598 ' HA ' ' O ' ' A' ' 582' ' ' TYR . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.406 1.066 . . . . 1.0 109.343 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.247 0 N-CA-C 109.273 -0.64 . . . . 1.0 109.273 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 602' ' ' THR . . . . . 0.586 HG22 ' O ' ' A' ' 586' ' ' ASN . 0.0 OUTLIER -112.01 -162.59 0.8 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 1.0 110.456 179.925 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 603' ' ' MET . . . . . 0.721 ' CG ' ' HA ' ' A' ' 586' ' ' ASN . 0.0 OUTLIER -124.55 39.05 4.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 1.0 110.961 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 604' ' ' GLU . . . . . 0.442 ' HB3' ' HB1' ' A' ' 654' ' ' ALA . 6.4 pt-20 -125.84 57.95 1.35 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.51 1.131 . . . . 1.0 110.262 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 605' ' ' GLU . . . . . 0.519 ' O ' ' C ' ' A' ' 606' ' ' ILE . 3.4 pt-20 -158.91 -52.77 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 1.0 110.313 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 606' ' ' ILE . . . . . 1.216 HG21 ' CD2' ' A' ' 651' ' ' TYR . 1.0 OUTLIER -31.64 137.09 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 1.0 109.332 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 607' ' ' GLN . . . . . 0.58 ' HG2' ' CB ' ' A' ' 625' ' ' ARG . 0.0 OUTLIER -91.35 -36.32 13.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.43 1.082 . . . . 1.0 110.414 179.932 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 608' ' ' SER . . . . . 0.415 ' HB2' ' HD3' ' A' ' 623' ' ' LYS . 3.1 m -173.51 135.18 0.53 Allowed 'General case' 0 C--N 1.327 -0.383 0 O-C-N 124.45 1.093 . . . . 1.0 109.934 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 609' ' ' VAL . . . . . 0.849 HG22 ' CD ' ' A' ' 644' ' ' LYS . 6.7 p -104.86 127.42 59.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 1.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 610' ' ' GLU . . . . . 0.82 ' CG ' HD23 ' A' ' 621' ' ' LEU . 0.3 OUTLIER -150.77 175.43 12.0 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.394 1.059 . . . . 1.0 110.382 179.923 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 611' ' ' GLU . . . . . 0.429 ' HA ' ' H ' ' A' ' 621' ' ' LEU . 23.0 tt0 -137.98 138.26 38.74 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.495 1.122 . . . . 1.0 110.285 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 612' ' ' THR . . . . . 0.843 HG23 ' HG3' ' A' ' 618' ' ' LYS . 0.1 OUTLIER -96.1 162.45 13.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.388 1.055 . . . . 1.0 110.382 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 613' ' ' GLN . . . . . 0.493 ' O ' HD12 ' A' ' 614' ' ' ILE . 2.2 mp0 -130.1 153.86 48.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 1.0 110.297 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 614' ' ' ILE . . . . . 0.761 HG22 ' O ' ' A' ' 614' ' ' ILE . 0.5 OUTLIER -142.01 85.71 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.55 1.156 . . . . 1.0 109.269 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 615' ' ' LYS . . . . . 0.422 ' CB ' ' O ' ' A' ' 614' ' ' ILE . 10.4 ttpt 82.9 -35.06 0.08 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.542 1.151 . . . . 1.0 109.259 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 616' ' ' GLU . . . . . 0.425 ' H ' ' C ' ' A' ' 614' ' ' ILE . 2.7 tt0 -156.48 -48.0 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 1.0 110.324 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -156.67 143.15 18.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.093 . . . . 1.0 110.327 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 618' ' ' LYS . . . . . 0.843 ' HG3' HG23 ' A' ' 612' ' ' THR . 9.5 tptt -119.96 -93.91 0.51 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.581 1.175 . . . . 1.0 109.354 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 619' ' ' CYS . . . . . 0.462 ' SG ' ' N ' ' A' ' 620' ' ' LEU . 42.0 t -159.26 161.75 36.01 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.521 1.138 . . . . 1.0 108.282 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 620' ' ' LEU . . . . . 1.093 ' CD1' HD12 ' A' ' 640' ' ' LEU . 0.3 OUTLIER -84.22 130.09 34.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.393 1.058 . . . . 1.0 109.317 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 621' ' ' LEU . . . . . 0.82 HD23 ' CG ' ' A' ' 610' ' ' GLU . 0.8 OUTLIER -92.86 157.07 16.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.459 1.099 . . . . 1.0 109.389 179.89 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 622' ' ' LEU . . . . . 0.903 HD12 HD21 ' A' ' 632' ' ' LEU . 0.3 OUTLIER -155.93 86.78 1.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 1.0 109.368 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 623' ' ' LYS . . . . . 0.415 ' HD3' ' HB2' ' A' ' 608' ' ' SER . 0.0 OUTLIER -87.91 138.87 31.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 1.0 109.322 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 624' ' ' ILE . . . . . 0.924 HG22 ' H ' ' A' ' 626' ' ' GLY . 79.1 mt -105.01 145.38 13.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.445 1.091 . . . . 1.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 625' ' ' ARG . . . . . 0.58 ' CB ' ' HG2' ' A' ' 607' ' ' GLN . 4.9 ptm180 -77.36 2.52 15.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 1.0 110.306 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 626' ' ' GLY . . . . . 0.924 ' H ' HG22 ' A' ' 624' ' ' ILE . . . -91.45 -16.59 52.42 Favored Glycine 0 CA--C 1.532 1.13 0 O-C-N 124.537 1.148 . . . . 1.0 110.975 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 106.51 42.13 1.64 Allowed Glycine 0 CA--C 1.53 1.012 0 N-CA-C 110.935 -0.866 . . . . 1.0 110.935 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 628' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -149.8 122.27 8.51 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.557 0.798 . . . . 1.0 109.325 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -101.87 147.55 26.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.573 1.171 . . . . 1.0 110.335 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 630' ' ' PHE . . . . . 0.613 ' CD2' ' HE2' ' A' ' 567' ' ' LYS . 12.1 m-85 -135.34 149.73 49.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.583 1.177 . . . . 1.0 111.009 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 631' ' ' ILE . . . . . 0.565 ' CG2' ' O ' ' A' ' 631' ' ' ILE . 0.1 OUTLIER -132.28 106.27 10.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.5 1.125 . . . . 1.0 109.309 179.952 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 632' ' ' LEU . . . . . 0.903 HD21 HD12 ' A' ' 622' ' ' LEU . 0.3 OUTLIER -114.13 143.69 44.38 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.441 1.088 . . . . 1.0 109.295 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 633' ' ' GLN . . . . . 0.584 ' CG ' ' OG ' ' A' ' 566' ' ' SER . 4.0 pt20 -122.85 178.52 5.0 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.46 1.1 . . . . 1.0 110.322 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 634' ' ' CYS . . . . . 0.551 ' HB3' HD23 ' A' ' 640' ' ' LEU . 23.9 p -152.6 165.33 35.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 1.0 108.289 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 635' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -99.05 -10.69 22.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.559 1.162 . . . . 1.0 109.274 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 636' ' ' SER . . . . . 0.52 ' CB ' ' HG3' ' A' ' 639' ' ' GLU . 0.4 OUTLIER -95.16 179.58 5.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.565 1.166 . . . . 1.0 110.026 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 637' ' ' ASP . . . . . 0.596 ' H ' ' HD2' ' A' ' 638' ' ' PRO . 0.4 OUTLIER -106.12 -57.13 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 1.0 109.251 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 638' ' ' PRO . . . . . 0.596 ' HD2' ' H ' ' A' ' 637' ' ' ASP . 18.4 Cg_endo -74.96 -40.83 0.79 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.562 1.822 . . . . 1.0 111.049 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 639' ' ' GLU . . . . . 0.55 ' C ' ' O ' ' A' ' 638' ' ' PRO . 10.8 mt-10 -25.79 -83.06 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.53 1.143 . . . . 1.0 110.326 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 640' ' ' LEU . . . . . 1.093 HD12 ' CD1' ' A' ' 620' ' ' LEU . 0.2 OUTLIER -48.41 -48.61 37.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 1.0 109.291 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 641' ' ' VAL . . . . . 0.536 HG12 ' N ' ' A' ' 642' ' ' GLN . 0.7 OUTLIER -43.08 -52.9 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 1.0 109.263 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 642' ' ' GLN . . . . . 0.536 ' N ' HG12 ' A' ' 641' ' ' VAL . 0.0 OUTLIER -68.17 -40.07 82.4 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.556 1.16 . . . . 1.0 110.33 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 643' ' ' TRP . . . . . 0.648 ' CZ3' ' CB ' ' A' ' 583' ' ' LEU . 45.7 m95 -58.47 -41.58 85.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.574 1.171 . . . . 1.0 108.018 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 644' ' ' LYS . . . . . 0.849 ' CD ' HG22 ' A' ' 609' ' ' VAL . 0.1 OUTLIER -62.22 -56.58 17.25 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 1.0 109.306 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 645' ' ' LYS . . . . . 0.442 ' CD ' ' OE1' ' A' ' 646' ' ' GLU . 2.6 tmtt? -41.63 -55.47 2.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 1.0 109.328 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 646' ' ' GLU . . . . . 0.971 ' HB3' HD21 ' A' ' 583' ' ' LEU . 0.3 OUTLIER -67.87 -34.61 77.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.571 1.169 . . . . 1.0 110.332 179.914 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 647' ' ' LEU . . . . . 0.888 HD22 ' CZ ' ' A' ' 651' ' ' TYR . 6.8 mt -63.93 -63.68 1.09 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.507 1.129 . . . . 1.0 109.324 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 648' ' ' ARG . . . . . 0.526 ' HG3' ' CG1' ' A' ' 609' ' ' VAL . 6.3 ttm180 -38.94 -52.8 1.78 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 1.0 110.304 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 649' ' ' ASP . . . . . 0.411 ' O ' ' HB2' ' A' ' 653' ' ' GLU . 24.4 t70 -62.97 -40.18 96.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 1.0 109.258 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 650' ' ' ALA . . . . . 0.618 ' HB1' ' SD ' ' A' ' 603' ' ' MET . . . -54.23 -49.16 70.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 1.0 109.255 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 651' ' ' TYR . . . . . 1.216 ' CD2' HG21 ' A' ' 606' ' ' ILE . 3.6 m-30 -75.5 -39.56 58.37 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.524 1.14 . . . . 1.0 111.002 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 652' ' ' ARG . . . . . 0.513 ' O ' ' HB2' ' A' ' 655' ' ' GLN . 0.0 OUTLIER -62.52 -61.28 2.54 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.597 1.186 . . . . 1.0 110.37 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 653' ' ' GLU . . . . . 0.411 ' HB2' ' O ' ' A' ' 649' ' ' ASP . 28.6 mt-10 -46.55 -57.25 4.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 1.0 110.269 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 654' ' ' ALA . . . . . 0.442 ' HB1' ' HB3' ' A' ' 604' ' ' GLU . . . -44.98 -37.38 3.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.569 1.168 . . . . 1.0 109.218 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 655' ' ' GLN . . . . . 0.513 ' HB2' ' O ' ' A' ' 652' ' ' ARG . 57.7 mt-30 . . . . . 0 C--N 1.324 -0.534 0 O-C-N 124.578 1.174 . . . . 1.0 110.27 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 559' ' ' CYS . . . . . . . . . . . . . 40.1 t . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 108.306 -0.998 . . . . 1.0 108.306 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 560' ' ' ILE . . . . . 0.638 HD11 ' HA ' ' A' ' 585' ' ' PRO . 12.1 mt -84.04 -62.18 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.425 1.078 . . . . 1.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 561' ' ' MET . . . . . 0.49 ' SD ' ' NE1' ' A' ' 643' ' ' TRP . 0.0 OUTLIER -131.12 135.96 47.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.551 1.157 . . . . 1.0 110.951 -179.905 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 562' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -135.74 142.91 45.06 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.498 1.124 . . . . 1.0 109.523 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 563' ' ' GLY . . . . . 0.516 ' O ' ' CD1' ' A' ' 580' ' ' TYR . . . 167.53 -161.9 35.69 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.492 1.12 . . . . 1.0 111.05 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 564' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -93.37 127.03 38.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.457 0.74 . . . . 1.0 111.002 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 565' ' ' MET . . . . . 0.583 ' HE1' ' CE3' ' A' ' 643' ' ' TRP . 0.0 OUTLIER -137.57 124.15 20.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.533 1.146 . . . . 1.0 110.969 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 566' ' ' SER . . . . . 0.474 ' O ' ' N ' ' A' ' 633' ' ' GLN . 0.5 OUTLIER -100.79 100.12 10.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 1.0 110.008 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 567' ' ' LYS . . . . . 0.491 ' NZ ' ' CD2' ' A' ' 630' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 1.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 578' ' ' ARG . . . . . . . . . . . . . 5.5 mtt180 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.26 -0.274 . . . . 1.0 110.26 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 579' ' ' ARG . . . . . 0.497 ' O ' ' O ' ' A' ' 565' ' ' MET . 1.1 mtt180 -134.31 160.56 37.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 1.0 110.296 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 580' ' ' TYR . . . . . 0.516 ' CD1' ' O ' ' A' ' 563' ' ' GLY . 0.8 OUTLIER -89.57 125.74 35.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 1.0 111.078 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 581' ' ' PHE . . . . . 0.49 ' CE1' ' O ' ' A' ' 565' ' ' MET . 16.8 m-85 -114.13 171.17 7.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.408 1.067 . . . . 1.0 110.919 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 582' ' ' TYR . . . . . 0.476 ' O ' ' HA ' ' A' ' 588' ' ' LEU . 41.1 m-85 -143.83 118.96 10.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 1.0 111.06 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 583' ' ' LEU . . . . . 0.779 ' HB2' ' CZ3' ' A' ' 643' ' ' TRP . 6.3 tp -88.84 109.82 20.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 1.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 584' ' ' PHE . . . . . 0.484 ' CD2' ' HD2' ' A' ' 585' ' ' PRO . 0.6 OUTLIER -100.24 174.76 2.77 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.443 1.089 . . . . 1.0 111.019 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 585' ' ' PRO . . . . . 0.638 ' HA ' HD11 ' A' ' 560' ' ' ILE . 18.1 Cg_endo -75.07 9.97 1.88 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.486 1.782 . . . . 1.0 110.968 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 586' ' ' ASN . . . . . 0.729 ' O ' HG22 ' A' ' 602' ' ' THR . 6.9 m-20 179.17 -38.99 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 1.0 109.314 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 587' ' ' ARG . . . . . 0.561 ' HA ' ' HA ' ' A' ' 602' ' ' THR . 0.5 OUTLIER -87.52 -170.49 3.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 1.0 110.278 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 588' ' ' LEU . . . . . 0.593 ' C ' HD12 ' A' ' 588' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.43 1.081 . . . . 1.0 109.232 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 109.302 -0.629 . . . . 1.0 109.302 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 602' ' ' THR . . . . . 0.729 HG22 ' O ' ' A' ' 586' ' ' ASN . 0.1 OUTLIER -118.93 -170.85 1.99 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 1.0 110.463 179.933 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 603' ' ' MET . . . . . 0.803 ' SD ' ' HB1' ' A' ' 650' ' ' ALA . 0.2 OUTLIER -125.96 37.36 4.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 1.0 110.961 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 604' ' ' GLU . . . . . 0.572 ' HB3' ' HB1' ' A' ' 654' ' ' ALA . 8.1 pt-20 -124.59 59.64 1.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.568 1.168 . . . . 1.0 110.312 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 605' ' ' GLU . . . . . 0.459 ' O ' ' CG ' ' A' ' 625' ' ' ARG . 2.5 pt-20 -158.9 -48.9 0.06 Allowed 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.499 1.125 . . . . 1.0 110.37 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 606' ' ' ILE . . . . . 1.291 HG21 ' CD2' ' A' ' 651' ' ' TYR . 0.9 OUTLIER -39.7 140.6 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.564 1.165 . . . . 1.0 109.323 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 607' ' ' GLN . . . . . 0.601 ' HG2' ' CB ' ' A' ' 625' ' ' ARG . 0.5 OUTLIER -91.01 -38.79 12.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 1.0 110.346 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 608' ' ' SER . . . . . 0.431 ' HB2' ' HD3' ' A' ' 623' ' ' LYS . 1.1 m -175.1 132.96 0.31 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 1.0 109.969 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 609' ' ' VAL . . . . . 0.967 HG22 ' CD ' ' A' ' 644' ' ' LYS . 6.3 p -104.47 139.7 24.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.486 1.116 . . . . 1.0 109.349 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 610' ' ' GLU . . . . . 0.931 ' CD ' HD23 ' A' ' 621' ' ' LEU . 0.7 OUTLIER -159.43 -171.87 3.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.115 . . . . 1.0 110.236 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 611' ' ' GLU . . . . . 0.648 ' HA ' ' HA ' ' A' ' 620' ' ' LEU . 25.2 tt0 -138.75 143.73 39.14 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.488 1.118 . . . . 1.0 110.283 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 612' ' ' THR . . . . . 0.832 HG23 ' HG3' ' A' ' 618' ' ' LYS . 0.0 OUTLIER -107.31 165.26 11.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 1.0 110.364 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -129.58 159.17 37.18 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.394 1.058 . . . . 1.0 110.314 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 614' ' ' ILE . . . . . 0.788 HG22 ' O ' ' A' ' 614' ' ' ILE . 0.1 OUTLIER -145.97 84.19 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 1.0 109.288 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 615' ' ' LYS . . . . . 0.418 ' HB2' ' O ' ' A' ' 614' ' ' ILE . 35.5 mmtt 81.8 -33.59 0.1 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.498 1.124 . . . . 1.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 616' ' ' GLU . . . . . 0.444 ' H ' ' C ' ' A' ' 614' ' ' ILE . 2.3 tt0 -156.0 -48.63 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.159 . . . . 1.0 110.311 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -157.5 137.74 12.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 1.0 110.276 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 618' ' ' LYS . . . . . 0.832 ' HG3' HG23 ' A' ' 612' ' ' THR . 0.4 OUTLIER -115.09 -95.98 0.46 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 1.0 109.266 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 619' ' ' CYS . . . . . 0.501 ' O ' ' CG ' ' A' ' 611' ' ' GLU . 17.2 m -158.39 -175.97 5.63 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.547 1.154 . . . . 1.0 108.289 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 620' ' ' LEU . . . . . 1.084 ' CD1' HD12 ' A' ' 640' ' ' LEU . 0.2 OUTLIER -101.61 130.12 47.87 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.323 1.015 . . . . 1.0 109.248 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 621' ' ' LEU . . . . . 0.931 HD23 ' CD ' ' A' ' 610' ' ' GLU . 2.8 tp -86.13 161.0 19.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.095 . . . . 1.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 622' ' ' LEU . . . . . 1.016 HD12 HD21 ' A' ' 632' ' ' LEU . 0.9 OUTLIER -158.98 83.05 0.79 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 1.0 109.28 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 623' ' ' LYS . . . . . 0.431 ' HD3' ' HB2' ' A' ' 608' ' ' SER . 0.0 OUTLIER -85.78 140.11 30.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 1.0 109.242 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 624' ' ' ILE . . . . . 0.984 HG22 ' H ' ' A' ' 626' ' ' GLY . 92.1 mt -105.53 145.13 14.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.088 . . . . 1.0 109.343 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 625' ' ' ARG . . . . . 0.601 ' CB ' ' HG2' ' A' ' 607' ' ' GLN . 3.1 ptm180 -78.37 3.02 16.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 1.0 110.263 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 626' ' ' GLY . . . . . 0.984 ' H ' HG22 ' A' ' 624' ' ' ILE . . . -90.23 -13.43 60.27 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.534 1.146 . . . . 1.0 111.027 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 106.69 43.21 1.46 Allowed Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.999 -0.84 . . . . 1.0 110.999 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 628' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -147.45 164.37 33.57 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 0.788 . . . . 1.0 109.247 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 63.5 mt-30 -135.0 147.44 49.7 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.554 1.159 . . . . 1.0 110.34 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 630' ' ' PHE . . . . . 0.491 ' CD2' ' NZ ' ' A' ' 567' ' ' LYS . 1.3 m-85 -136.04 161.94 34.29 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.546 1.154 . . . . 1.0 110.964 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 631' ' ' ILE . . . . . . . . . . . . . 2.2 mm -134.01 140.03 47.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 O-C-N 124.612 1.195 . . . . 1.0 109.344 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 632' ' ' LEU . . . . . 1.016 HD21 HD12 ' A' ' 622' ' ' LEU . 0.4 OUTLIER -124.29 157.38 35.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 1.0 109.313 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 633' ' ' GLN . . . . . 0.474 ' N ' ' O ' ' A' ' 566' ' ' SER . 30.3 tp60 -155.82 140.17 16.7 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 1.0 110.303 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 634' ' ' CYS . . . . . 0.69 ' HB2' HD23 ' A' ' 640' ' ' LEU . 0.1 OUTLIER -149.35 169.25 21.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 1.0 108.213 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 635' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -94.66 -18.67 21.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.568 1.167 . . . . 1.0 109.283 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 636' ' ' SER . . . . . 0.575 ' CB ' ' CG ' ' A' ' 639' ' ' GLU . 0.6 OUTLIER -87.74 139.97 29.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.602 1.189 . . . . 1.0 110.018 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 637' ' ' ASP . . . . . 0.63 ' N ' ' CD ' ' A' ' 638' ' ' PRO . 0.2 OUTLIER -79.94 -44.55 1.5 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.15 . . . . 1.0 109.179 -179.918 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 638' ' ' PRO . . . . . 0.63 ' CD ' ' N ' ' A' ' 637' ' ' ASP . 18.4 Cg_endo -74.99 -52.35 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.392 1.733 . . . . 1.0 111.044 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 639' ' ' GLU . . . . . 0.575 ' CG ' ' CB ' ' A' ' 636' ' ' SER . 32.9 mm-40 -26.02 -76.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 1.0 110.232 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 640' ' ' LEU . . . . . 1.084 HD12 ' CD1' ' A' ' 620' ' ' LEU . 0.3 OUTLIER -53.4 -48.33 68.77 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.41 1.069 . . . . 1.0 109.283 -179.897 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 641' ' ' VAL . . . . . 0.599 HG12 ' N ' ' A' ' 642' ' ' GLN . 0.7 OUTLIER -45.39 -56.67 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 124.426 1.079 . . . . 1.0 109.296 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 642' ' ' GLN . . . . . 0.599 ' N ' HG12 ' A' ' 641' ' ' VAL . 0.0 OUTLIER -64.34 -40.23 95.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 1.0 110.302 -179.921 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 643' ' ' TRP . . . . . 0.779 ' CZ3' ' HB2' ' A' ' 583' ' ' LEU . 18.7 m95 -56.33 -48.03 77.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 1.0 108.029 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 644' ' ' LYS . . . . . 0.967 ' CD ' HG22 ' A' ' 609' ' ' VAL . 0.0 OUTLIER -57.72 -57.68 11.68 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.478 1.111 . . . . 1.0 109.299 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 645' ' ' LYS . . . . . 0.404 ' CD ' ' OE1' ' A' ' 646' ' ' GLU . 0.0 OUTLIER -41.38 -54.88 2.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.653 1.221 . . . . 1.0 109.344 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 646' ' ' GLU . . . . . 0.599 ' CB ' HD23 ' A' ' 583' ' ' LEU . 0.1 OUTLIER -70.35 -30.13 66.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 1.0 110.322 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 647' ' ' LEU . . . . . 0.641 ' HG ' HD11 ' A' ' 583' ' ' LEU . 0.7 OUTLIER -70.0 -62.93 1.19 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.543 1.152 . . . . 1.0 109.316 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 648' ' ' ARG . . . . . 0.555 ' N ' ' O ' ' A' ' 644' ' ' LYS . 4.9 ttt85 -39.12 -54.6 1.73 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 1.0 110.243 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 649' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -61.52 -47.89 83.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 1.0 109.362 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 650' ' ' ALA . . . . . 0.803 ' HB1' ' SD ' ' A' ' 603' ' ' MET . . . -46.97 -47.24 21.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 1.0 109.354 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 651' ' ' TYR . . . . . 1.291 ' CD2' HG21 ' A' ' 606' ' ' ILE . 22.2 m-30 -76.42 -39.04 54.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.441 1.088 . . . . 1.0 110.985 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 652' ' ' ARG . . . . . 0.497 ' O ' ' HB2' ' A' ' 655' ' ' GLN . 2.8 mtt180 -62.97 -61.11 2.62 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.578 1.174 . . . . 1.0 110.306 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 653' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -47.68 -57.67 5.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.572 1.17 . . . . 1.0 110.324 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 654' ' ' ALA . . . . . 0.572 ' HB1' ' HB3' ' A' ' 604' ' ' GLU . . . -44.45 -37.59 3.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.426 1.079 . . . . 1.0 109.311 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 655' ' ' GLN . . . . . 0.497 ' HB2' ' O ' ' A' ' 652' ' ' ARG . 52.1 mt-30 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.434 1.084 . . . . 1.0 110.297 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 559' ' ' CYS . . . . . . . . . . . . . 36.5 t . . . . . 0 N--CA 1.454 -0.254 0 N-CA-C 108.297 -1.001 . . . . 1.0 108.297 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 560' ' ' ILE . . . . . 0.922 HD11 ' HA ' ' A' ' 585' ' ' PRO . 10.6 mt -85.75 -61.11 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.607 1.192 . . . . 1.0 109.242 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 561' ' ' MET . . . . . 0.452 ' SD ' ' CD1' ' A' ' 643' ' ' TRP . 0.0 OUTLIER -139.65 137.01 34.91 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.598 1.186 . . . . 1.0 110.989 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 562' ' ' HIS . . . . . 0.488 ' CD2' ' N ' ' A' ' 562' ' ' HIS . 3.1 p80 -140.65 162.03 36.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 1.0 109.551 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 563' ' ' GLY . . . . . 0.54 ' HA2' ' CZ ' ' A' ' 580' ' ' TYR . . . 146.97 -159.78 28.1 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.427 1.08 . . . . 1.0 111.104 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 564' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -85.3 126.51 33.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 0.779 . . . . 1.0 111.08 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 565' ' ' MET . . . . . 0.641 ' O ' ' O ' ' A' ' 579' ' ' ARG . 0.0 OUTLIER -140.88 122.12 14.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 1.0 111.025 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 566' ' ' SER . . . . . 0.403 ' HB2' ' HA ' ' A' ' 578' ' ' ARG . 0.9 OUTLIER -85.26 130.67 34.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 1.0 110.03 -179.949 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 567' ' ' LYS . . . . . 0.554 ' HE2' ' CZ ' ' A' ' 581' ' ' PHE . 7.3 ttpt . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 1.0 109.326 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 578' ' ' ARG . . . . . 0.403 ' HA ' ' HB2' ' A' ' 566' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.322 -0.251 . . . . 1.0 110.322 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 579' ' ' ARG . . . . . 0.641 ' O ' ' O ' ' A' ' 565' ' ' MET . 16.1 mtp180 -141.77 165.64 26.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.341 1.025 . . . . 1.0 110.255 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 580' ' ' TYR . . . . . 0.54 ' CZ ' ' HA2' ' A' ' 563' ' ' GLY . 1.0 OUTLIER -96.45 126.03 41.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.409 1.068 . . . . 1.0 111.035 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 581' ' ' PHE . . . . . 0.554 ' CZ ' ' HE2' ' A' ' 567' ' ' LYS . 10.8 m-85 -118.64 176.39 5.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.15 . . . . 1.0 110.985 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 582' ' ' TYR . . . . . 0.478 ' CE1' ' HB2' ' A' ' 562' ' ' HIS . 0.4 OUTLIER -150.56 107.89 3.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 1.0 111.039 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 583' ' ' LEU . . . . . 0.872 HD23 ' O ' ' A' ' 583' ' ' LEU . 0.4 OUTLIER -87.88 113.7 23.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 1.0 109.282 -179.928 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 584' ' ' PHE . . . . . 0.671 ' CD2' ' HD2' ' A' ' 585' ' ' PRO . 0.1 OUTLIER -94.98 -177.02 0.61 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.425 1.078 . . . . 1.0 111.031 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 585' ' ' PRO . . . . . 0.922 ' HA ' HD11 ' A' ' 560' ' ' ILE . 18.2 Cg_endo -74.95 14.55 0.83 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.509 1.794 . . . . 1.0 111.077 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 586' ' ' ASN . . . . . 1.043 ' O ' ' HG3' ' A' ' 603' ' ' MET . 19.2 m-20 171.95 -44.97 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.442 1.089 . . . . 1.0 109.361 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 587' ' ' ARG . . . . . 0.628 ' O ' ' HB2' ' A' ' 584' ' ' PHE . 0.0 OUTLIER -93.41 -173.19 3.14 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.483 1.114 . . . . 1.0 110.295 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 588' ' ' LEU . . . . . 0.466 HD11 ' HD1' ' A' ' 581' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 1.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 4.1 mt . . . . . 0 N--CA 1.454 -0.24 0 N-CA-C 109.219 -0.66 . . . . 1.0 109.219 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 602' ' ' THR . . . . . 0.472 HG22 ' O ' ' A' ' 586' ' ' ASN . 0.2 OUTLIER -117.89 -147.93 0.42 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 1.0 110.461 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 603' ' ' MET . . . . . 1.043 ' HG3' ' O ' ' A' ' 586' ' ' ASN . 0.0 OUTLIER -135.99 41.7 2.65 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.545 1.153 . . . . 1.0 110.999 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 604' ' ' GLU . . . . . 0.406 ' O ' ' HG3' ' A' ' 604' ' ' GLU . 14.2 pt-20 -124.8 55.84 1.33 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.542 1.151 . . . . 1.0 110.382 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 605' ' ' GLU . . . . . 0.613 ' HB2' HG23 ' A' ' 624' ' ' ILE . 3.2 pt-20 -158.22 -55.62 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 1.0 110.29 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 606' ' ' ILE . . . . . 1.167 HG21 ' CD2' ' A' ' 651' ' ' TYR . 1.3 mp -35.82 130.38 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.426 1.079 . . . . 1.0 109.309 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 607' ' ' GLN . . . . . 0.551 ' CG ' ' CB ' ' A' ' 625' ' ' ARG . 0.0 OUTLIER -87.64 -36.07 17.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 1.0 110.391 179.91 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 2.7 m -173.29 139.27 0.77 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.563 1.164 . . . . 1.0 110.023 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 609' ' ' VAL . . . . . 0.915 HG22 ' CD ' ' A' ' 644' ' ' LYS . 2.7 p -108.75 135.55 47.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.454 1.096 . . . . 1.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 610' ' ' GLU . . . . . 0.795 ' HG3' HD23 ' A' ' 621' ' ' LEU . 0.5 OUTLIER -152.54 -170.17 3.56 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.48 1.112 . . . . 1.0 110.301 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 611' ' ' GLU . . . . . 0.505 ' HA ' ' HA ' ' A' ' 620' ' ' LEU . 22.2 tt0 -141.01 144.67 35.15 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.498 1.123 . . . . 1.0 110.291 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 612' ' ' THR . . . . . 0.838 HG23 ' HG3' ' A' ' 618' ' ' LYS . 0.0 OUTLIER -108.21 165.44 11.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 1.0 110.394 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 7.6 mp0 -128.32 160.22 32.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 1.0 110.323 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 614' ' ' ILE . . . . . 0.795 HG22 ' O ' ' A' ' 614' ' ' ILE . 0.1 OUTLIER -144.57 81.37 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.574 1.172 . . . . 1.0 109.24 -179.921 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 615' ' ' LYS . . . . . 0.449 ' HB2' ' O ' ' A' ' 614' ' ' ILE . 7.1 mmtt 80.76 -30.23 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 1.0 109.374 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 616' ' ' GLU . . . . . 0.46 ' H ' ' C ' ' A' ' 614' ' ' ILE . 1.0 OUTLIER -157.12 -48.83 0.07 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.502 1.126 . . . . 1.0 110.257 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 617' ' ' ARG . . . . . 0.446 ' NH2' ' OD1' ' A' ' 637' ' ' ASP . 0.0 OUTLIER -157.97 136.76 11.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.115 . . . . 1.0 110.335 179.945 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 618' ' ' LYS . . . . . 0.838 ' HG3' HG23 ' A' ' 612' ' ' THR . 11.0 tptt -113.72 -98.96 0.43 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.577 1.173 . . . . 1.0 109.325 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 619' ' ' CYS . . . . . 0.481 ' SG ' ' HB2' ' A' ' 633' ' ' GLN . 96.3 m -156.04 -176.78 6.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.443 1.089 . . . . 1.0 108.227 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 620' ' ' LEU . . . . . 1.07 ' CD1' HD12 ' A' ' 640' ' ' LEU . 0.3 OUTLIER -97.24 135.47 39.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.152 . . . . 1.0 109.306 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 621' ' ' LEU . . . . . 0.808 HD12 ' H ' ' A' ' 622' ' ' LEU . 2.3 tp -93.98 160.17 14.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.408 1.067 . . . . 1.0 109.17 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 622' ' ' LEU . . . . . 1.042 HD13 HD21 ' A' ' 632' ' ' LEU . 0.0 OUTLIER -158.03 79.92 0.84 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.396 1.06 . . . . 1.0 109.277 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 623' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.82 138.07 37.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 1.0 109.212 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 624' ' ' ILE . . . . . 0.983 HG22 ' H ' ' A' ' 626' ' ' GLY . 45.3 mt -104.22 144.17 14.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 1.0 109.312 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 625' ' ' ARG . . . . . 0.551 ' CB ' ' CG ' ' A' ' 607' ' ' GLN . 4.1 ptm180 -79.07 3.56 17.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 1.0 110.221 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 626' ' ' GLY . . . . . 0.983 ' H ' HG22 ' A' ' 624' ' ' ILE . . . -88.98 -19.54 50.55 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.457 1.098 . . . . 1.0 111.039 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 115.02 38.62 1.02 Allowed Glycine 0 CA--C 1.53 0.993 0 N-CA-C 111.024 -0.831 . . . . 1.0 111.024 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 628' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -142.94 170.9 14.83 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 0.772 . . . . 1.0 109.25 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -142.89 136.48 28.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 1.0 110.322 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 630' ' ' PHE . . . . . 0.448 ' O ' ' N ' ' A' ' 622' ' ' LEU . 0.4 OUTLIER -122.49 148.37 45.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.147 . . . . 1.0 110.992 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 631' ' ' ILE . . . . . 0.504 ' O ' HG22 ' A' ' 631' ' ' ILE . 0.0 OUTLIER -134.8 111.02 13.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 1.0 109.363 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 632' ' ' LEU . . . . . 1.042 HD21 HD13 ' A' ' 622' ' ' LEU . 0.2 OUTLIER -121.41 157.96 29.37 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.495 1.122 . . . . 1.0 109.316 -179.945 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 633' ' ' GLN . . . . . 0.532 ' HG3' ' N ' ' A' ' 634' ' ' CYS . 25.3 tp60 -149.47 162.11 40.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 1.0 110.302 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 634' ' ' CYS . . . . . 0.532 ' N ' ' HG3' ' A' ' 633' ' ' GLN . 0.8 OUTLIER -143.04 144.34 32.24 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 1.0 108.316 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 635' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.49 -21.22 66.61 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.541 1.151 . . . . 1.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 636' ' ' SER . . . . . 0.519 ' HB2' ' CB ' ' A' ' 639' ' ' GLU . 4.1 m -89.62 160.09 16.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.091 . . . . 1.0 110.024 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 637' ' ' ASP . . . . . 0.626 ' N ' ' CD ' ' A' ' 638' ' ' PRO . 0.2 OUTLIER -89.54 -44.93 0.42 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 1.0 109.298 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 638' ' ' PRO . . . . . 0.626 ' CD ' ' N ' ' A' ' 637' ' ' ASP . 18.4 Cg_endo -74.98 -56.23 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.428 1.752 . . . . 1.0 111.022 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 639' ' ' GLU . . . . . 0.595 ' C ' ' O ' ' A' ' 638' ' ' PRO . 4.7 tt0 -20.7 -82.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.596 1.185 . . . . 1.0 110.342 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 640' ' ' LEU . . . . . 1.07 HD12 ' CD1' ' A' ' 620' ' ' LEU . 0.1 OUTLIER -49.74 -48.49 50.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.156 . . . . 1.0 109.275 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 641' ' ' VAL . . . . . 0.589 HG12 ' N ' ' A' ' 642' ' ' GLN . 0.8 OUTLIER -45.19 -55.59 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 1.0 109.345 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 642' ' ' GLN . . . . . 0.589 ' N ' HG12 ' A' ' 641' ' ' VAL . 0.0 OUTLIER -63.79 -40.41 96.59 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.486 1.117 . . . . 1.0 110.282 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 643' ' ' TRP . . . . . 0.544 ' CZ3' ' CB ' ' A' ' 583' ' ' LEU . 34.8 m95 -55.76 -44.28 77.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 1.0 107.934 -179.858 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 644' ' ' LYS . . . . . 0.915 ' CD ' HG22 ' A' ' 609' ' ' VAL . 12.5 ttpt -61.28 -60.91 3.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.563 1.164 . . . . 1.0 109.355 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 645' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 644' ' ' LYS . 0.0 OUTLIER -38.38 -53.46 1.51 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 1.0 109.312 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 646' ' ' GLU . . . . . 0.554 ' HG2' HG22 ' A' ' 560' ' ' ILE . 0.4 OUTLIER -72.46 -30.53 64.64 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.426 1.079 . . . . 1.0 110.238 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 647' ' ' LEU . . . . . 0.93 HD22 ' OH ' ' A' ' 651' ' ' TYR . 11.4 mt -70.52 -60.16 2.42 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.459 1.099 . . . . 1.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 648' ' ' ARG . . . . . 0.569 ' N ' ' O ' ' A' ' 644' ' ' LYS . 11.1 ttm180 -40.81 -55.06 2.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 1.0 110.355 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 649' ' ' ASP . . . . . 0.415 ' OD1' ' CD ' ' A' ' 653' ' ' GLU . 33.7 t0 -57.71 -46.48 84.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.46 1.1 . . . . 1.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 650' ' ' ALA . . . . . 0.519 ' O ' ' SD ' ' A' ' 603' ' ' MET . . . -48.89 -50.36 35.36 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.512 1.133 . . . . 1.0 109.234 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 651' ' ' TYR . . . . . 1.167 ' CD2' HG21 ' A' ' 606' ' ' ILE . 2.7 m-30 -72.36 -37.21 68.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 1.0 110.954 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 652' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 655' ' ' GLN . 17.3 mtt180 -64.02 -64.99 0.74 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.417 1.073 . . . . 1.0 110.255 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 653' ' ' GLU . . . . . 0.415 ' CD ' ' OD1' ' A' ' 649' ' ' ASP . 0.1 OUTLIER -41.16 -55.45 2.63 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.456 1.098 . . . . 1.0 110.284 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 654' ' ' ALA . . . . . 0.943 ' HB2' ' SD ' ' A' ' 603' ' ' MET . . . -47.82 -39.88 19.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 1.0 109.255 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 655' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 652' ' ' ARG . 91.2 mt-30 . . . . . 0 C--N 1.324 -0.526 0 O-C-N 124.496 1.122 . . . . 1.0 110.249 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 559' ' ' CYS . . . . . 0.487 ' SG ' ' CD2' ' A' ' 582' ' ' TYR . 42.4 t . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 108.245 -1.02 . . . . 1.0 108.245 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 560' ' ' ILE . . . . . 0.748 HD11 ' HA ' ' A' ' 585' ' ' PRO . 10.7 mt -92.5 -58.03 3.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 1.0 109.309 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 561' ' ' MET . . . . . 0.55 ' CG ' ' OE1' ' A' ' 646' ' ' GLU . 0.0 OUTLIER -117.29 142.61 46.86 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.503 1.127 . . . . 1.0 110.992 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 562' ' ' HIS . . . . . . . . . . . . . 13.7 p-80 -146.02 163.13 36.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 1.0 109.581 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 563' ' ' GLY . . . . . 0.435 ' O ' ' CD1' ' A' ' 580' ' ' TYR . . . 128.7 -159.5 22.11 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.493 1.121 . . . . 1.0 110.981 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 564' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -91.34 127.69 36.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 0.792 . . . . 1.0 110.966 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 565' ' ' MET . . . . . 0.612 ' O ' ' O ' ' A' ' 579' ' ' ARG . 0.0 OUTLIER -143.29 125.86 15.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 1.0 111.083 179.939 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 566' ' ' SER . . . . . 0.537 ' OG ' ' O ' ' A' ' 633' ' ' GLN . 0.1 OUTLIER -100.3 142.99 31.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.123 . . . . 1.0 110.012 -179.944 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 567' ' ' LYS . . . . . 0.52 ' HG2' ' O ' ' A' ' 631' ' ' ILE . 0.6 OUTLIER . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.377 1.048 . . . . 1.0 109.242 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 578' ' ' ARG . . . . . 0.467 ' HA ' ' HB2' ' A' ' 566' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.341 -0.244 . . . . 1.0 110.341 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 579' ' ' ARG . . . . . 0.612 ' O ' ' O ' ' A' ' 565' ' ' MET . 0.7 OUTLIER -136.26 161.94 34.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.393 1.058 . . . . 1.0 110.35 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 580' ' ' TYR . . . . . 0.435 ' CD1' ' O ' ' A' ' 563' ' ' GLY . 0.3 OUTLIER -88.71 131.78 34.87 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.471 1.107 . . . . 1.0 111.065 179.94 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 581' ' ' PHE . . . . . 0.461 ' HB2' ' HB2' ' A' ' 565' ' ' MET . 2.5 m-85 -124.09 160.09 28.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.425 1.078 . . . . 1.0 111.019 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 582' ' ' TYR . . . . . 0.487 ' CD2' ' SG ' ' A' ' 559' ' ' CYS . 0.1 OUTLIER -138.97 115.45 10.52 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.614 1.196 . . . . 1.0 110.993 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 583' ' ' LEU . . . . . 0.756 ' HB2' ' CZ3' ' A' ' 643' ' ' TRP . 7.9 tp -88.93 110.38 21.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 1.0 109.262 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 584' ' ' PHE . . . . . 0.617 ' HB2' ' C ' ' A' ' 587' ' ' ARG . 6.7 m-85 -96.43 171.7 5.93 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.439 1.087 . . . . 1.0 110.959 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 585' ' ' PRO . . . . . 0.748 ' HA ' HD11 ' A' ' 560' ' ' ILE . 18.3 Cg_endo -75.02 7.32 2.92 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.509 1.794 . . . . 1.0 111.016 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 586' ' ' ASN . . . . . 0.709 ' HA ' ' CG ' ' A' ' 603' ' ' MET . 37.2 m-20 -174.29 -38.45 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 1.0 109.349 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 587' ' ' ARG . . . . . 0.62 ' HA ' ' HA ' ' A' ' 602' ' ' THR . 0.8 OUTLIER -91.07 -162.64 0.93 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 1.0 110.236 -179.942 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 588' ' ' LEU . . . . . 0.565 ' C ' HD12 ' A' ' 588' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 1.0 109.321 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 1.5 mm? . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.239 -0.652 . . . . 1.0 109.239 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 602' ' ' THR . . . . . 0.62 ' HA ' ' HA ' ' A' ' 587' ' ' ARG . 0.0 OUTLIER -116.28 -166.33 1.14 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.416 1.072 . . . . 1.0 110.444 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 603' ' ' MET . . . . . 0.709 ' CG ' ' HA ' ' A' ' 586' ' ' ASN . 0.1 OUTLIER -127.0 38.54 4.08 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.543 1.152 . . . . 1.0 111.043 -179.934 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 604' ' ' GLU . . . . . 0.595 ' HB3' ' HB1' ' A' ' 654' ' ' ALA . 9.7 pt-20 -126.72 59.56 1.37 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.425 1.078 . . . . 1.0 110.348 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 605' ' ' GLU . . . . . 0.477 ' O ' ' C ' ' A' ' 606' ' ' ILE . 3.5 pt-20 -159.01 -57.17 0.07 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.144 . . . . 1.0 110.306 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 606' ' ' ILE . . . . . 1.227 HG21 ' CD2' ' A' ' 651' ' ' TYR . 1.2 mp -34.58 136.49 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 1.0 109.317 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 607' ' ' GLN . . . . . 0.518 ' HG3' ' HA ' ' A' ' 625' ' ' ARG . 0.0 OUTLIER -88.84 -37.94 14.98 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.57 1.169 . . . . 1.0 110.296 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 1.9 m -175.1 134.81 0.34 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 1.0 110.063 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 609' ' ' VAL . . . . . 0.969 HG22 ' CD ' ' A' ' 644' ' ' LYS . 3.9 p -107.6 141.68 22.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.097 . . . . 1.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 610' ' ' GLU . . . . . 0.822 ' HG3' HD23 ' A' ' 621' ' ' LEU . 0.3 OUTLIER -157.77 -167.29 2.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 1.0 110.297 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 611' ' ' GLU . . . . . 0.647 ' HA ' ' HA ' ' A' ' 620' ' ' LEU . 28.6 tt0 -138.28 147.12 43.28 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.489 1.118 . . . . 1.0 110.294 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 612' ' ' THR . . . . . 0.713 HG23 ' HG3' ' A' ' 618' ' ' LYS . 0.0 OUTLIER -112.27 163.09 14.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.415 1.072 . . . . 1.0 110.419 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 5.9 mp0 -127.42 163.79 23.27 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 1.0 110.322 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 614' ' ' ILE . . . . . 0.8 HG22 ' O ' ' A' ' 614' ' ' ILE . 0.2 OUTLIER -147.53 82.97 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 1.0 109.325 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 615' ' ' LYS . . . . . 0.425 ' HB2' ' O ' ' A' ' 614' ' ' ILE . 13.7 mttt 81.32 -31.36 0.11 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.437 1.086 . . . . 1.0 109.297 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 616' ' ' GLU . . . . . 0.46 ' H ' ' C ' ' A' ' 614' ' ' ILE . 0.7 OUTLIER -156.86 -49.6 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 1.0 110.366 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 37.7 ttm-85 -157.83 138.15 12.68 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.588 1.18 . . . . 1.0 110.387 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 618' ' ' LYS . . . . . 0.767 ' HG2' HD12 ' A' ' 614' ' ' ILE . 0.0 OUTLIER -117.49 -98.64 0.45 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 1.0 109.299 -179.948 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 619' ' ' CYS . . . . . 0.484 ' O ' ' CG ' ' A' ' 611' ' ' GLU . 1.6 m -157.12 -170.22 3.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 1.0 108.198 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 620' ' ' LEU . . . . . 1.13 HD13 HD12 ' A' ' 640' ' ' LEU . 0.1 OUTLIER -99.67 154.47 18.27 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.521 1.138 . . . . 1.0 109.359 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 621' ' ' LEU . . . . . 0.822 HD23 ' HG3' ' A' ' 610' ' ' GLU . 0.6 OUTLIER -112.26 159.08 18.97 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.498 1.124 . . . . 1.0 109.357 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 622' ' ' LEU . . . . . 0.93 ' CD1' HD11 ' A' ' 632' ' ' LEU . 6.6 mt -153.83 87.25 1.21 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.561 1.163 . . . . 1.0 109.366 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 623' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.26 135.07 33.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 1.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 624' ' ' ILE . . . . . 0.967 HG22 ' H ' ' A' ' 626' ' ' GLY . 65.2 mt -103.24 143.88 14.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.097 . . . . 1.0 109.272 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 625' ' ' ARG . . . . . 0.518 ' HA ' ' HG3' ' A' ' 607' ' ' GLN . 0.0 OUTLIER -78.89 3.45 16.92 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.5 1.125 . . . . 1.0 110.317 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 626' ' ' GLY . . . . . 0.967 ' H ' HG22 ' A' ' 624' ' ' ILE . . . -91.55 -27.58 17.07 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.563 1.164 . . . . 1.0 110.957 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 123.24 46.5 0.27 Allowed Glycine 0 CA--C 1.529 0.94 0 N-CA-C 111.003 -0.839 . . . . 1.0 111.003 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 628' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.64 169.57 18.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 0.755 . . . . 1.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 11.5 mp0 -145.34 142.83 29.75 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.532 1.145 . . . . 1.0 110.319 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 630' ' ' PHE . . . . . 0.505 ' CG ' ' HE2' ' A' ' 567' ' ' LYS . 0.8 OUTLIER -131.74 164.31 26.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 1.0 111.044 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 631' ' ' ILE . . . . . 0.52 ' O ' ' HG2' ' A' ' 567' ' ' LYS . 0.3 OUTLIER -143.74 111.05 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 1.0 109.32 -179.926 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 632' ' ' LEU . . . . . 0.93 HD11 ' CD1' ' A' ' 622' ' ' LEU . 0.7 OUTLIER -85.81 163.14 18.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.565 1.166 . . . . 1.0 109.256 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 633' ' ' GLN . . . . . 0.537 ' O ' ' OG ' ' A' ' 566' ' ' SER . 2.5 tm0? -156.31 120.6 4.49 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.451 1.094 . . . . 1.0 110.344 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 634' ' ' CYS . . . . . 0.919 ' HB3' HD23 ' A' ' 640' ' ' LEU . 2.7 p -127.0 154.18 44.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 1.0 108.283 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 635' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.72 -10.46 53.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 1.0 109.356 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 636' ' ' SER . . . . . 0.54 ' HB2' ' HB2' ' A' ' 639' ' ' GLU . 17.1 m -96.32 -174.56 3.1 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.546 1.154 . . . . 1.0 110.036 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 637' ' ' ASP . . . . . 0.726 ' H ' ' HD2' ' A' ' 638' ' ' PRO . 0.4 OUTLIER -110.76 -49.61 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.16 . . . . 1.0 109.341 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 638' ' ' PRO . . . . . 0.726 ' HD2' ' H ' ' A' ' 637' ' ' ASP . 18.3 Cg_endo -74.98 -50.34 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.557 1.819 . . . . 1.0 111.009 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 639' ' ' GLU . . . . . 0.58 ' C ' ' O ' ' A' ' 638' ' ' PRO . 38.6 mm-40 -21.93 -81.09 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.576 1.172 . . . . 1.0 110.332 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 640' ' ' LEU . . . . . 1.13 HD12 HD13 ' A' ' 620' ' ' LEU . 0.1 OUTLIER -52.89 -47.86 67.6 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 1.0 109.269 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 641' ' ' VAL . . . . . 0.568 HG12 ' N ' ' A' ' 642' ' ' GLN . 0.5 OUTLIER -43.98 -55.53 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.592 1.182 . . . . 1.0 109.347 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 642' ' ' GLN . . . . . 0.568 ' N ' HG12 ' A' ' 641' ' ' VAL . 0.0 OUTLIER -65.72 -39.57 91.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.602 1.189 . . . . 1.0 110.293 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 643' ' ' TRP . . . . . 0.756 ' CZ3' ' HB2' ' A' ' 583' ' ' LEU . 22.6 m95 -56.03 -43.14 77.53 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.968 -1.123 . . . . 1.0 107.968 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 644' ' ' LYS . . . . . 0.969 ' CD ' HG22 ' A' ' 609' ' ' VAL . 0.1 OUTLIER -62.8 -61.03 2.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 1.0 109.315 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 645' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 644' ' ' LYS . 7.4 tmtt? -38.17 -51.13 1.44 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.426 1.079 . . . . 1.0 109.337 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 646' ' ' GLU . . . . . 0.661 ' OE1' HG22 ' A' ' 560' ' ' ILE . 22.3 mt-10 -73.05 -34.21 66.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 1.0 110.342 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 647' ' ' LEU . . . . . 0.573 ' HG ' HD11 ' A' ' 583' ' ' LEU . 0.5 OUTLIER -67.54 -60.39 2.6 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.553 1.158 . . . . 1.0 109.337 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 648' ' ' ARG . . . . . 0.533 ' N ' ' O ' ' A' ' 644' ' ' LYS . 0.3 OUTLIER -40.83 -55.13 2.53 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.539 1.15 . . . . 1.0 110.277 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 649' ' ' ASP . . . . . 0.423 ' O ' ' N ' ' A' ' 653' ' ' GLU . 37.5 t0 -63.13 -46.55 86.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 1.0 109.354 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 650' ' ' ALA . . . . . 0.482 ' HB1' ' SD ' ' A' ' 603' ' ' MET . . . -47.6 -46.71 28.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.086 . . . . 1.0 109.204 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 651' ' ' TYR . . . . . 1.227 ' CD2' HG21 ' A' ' 606' ' ' ILE . 21.5 m-30 -75.61 -41.73 53.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.122 . . . . 1.0 111.037 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 652' ' ' ARG . . . . . 0.52 ' O ' ' HB2' ' A' ' 655' ' ' GLN . 0.2 OUTLIER -61.13 -62.13 2.06 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.545 1.153 . . . . 1.0 110.285 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 653' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' A' ' 649' ' ' ASP . 2.3 mt-10 -45.42 -56.81 4.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.614 1.196 . . . . 1.0 110.217 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 654' ' ' ALA . . . . . 0.595 ' HB1' ' HB3' ' A' ' 604' ' ' GLU . . . -46.17 -35.35 5.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.572 1.17 . . . . 1.0 109.315 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 655' ' ' GLN . . . . . 0.52 ' HB2' ' O ' ' A' ' 652' ' ' ARG . 57.6 mt-30 . . . . . 0 C--N 1.324 -0.538 0 O-C-N 124.501 1.125 . . . . 1.0 110.267 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 559' ' ' CYS . . . . . 0.469 ' HA ' ' HD3' ' A' ' 585' ' ' PRO . 2.0 t . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 108.238 -1.023 . . . . 1.0 108.238 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 560' ' ' ILE . . . . . 0.829 HD11 ' HA ' ' A' ' 585' ' ' PRO . 6.4 mt -100.51 -55.93 5.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.599 1.187 . . . . 1.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 561' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -150.51 150.6 31.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 1.0 111.026 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 562' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -150.9 156.87 42.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.115 . . . . 1.0 109.632 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 563' ' ' GLY . . . . . . . . . . . . . . . 165.34 -167.35 38.83 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.564 1.165 . . . . 1.0 111.017 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 564' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -98.26 121.39 40.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 0.785 . . . . 1.0 110.953 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 565' ' ' MET . . . . . 0.627 ' HA ' ' SG ' ' A' ' 634' ' ' CYS . 3.2 mtm -125.05 -156.15 0.71 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 1.0 110.979 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -154.35 133.35 12.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 1.0 110.044 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 567' ' ' LYS . . . . . 0.474 ' HE2' ' CD1' ' A' ' 630' ' ' PHE . 6.7 ttmt . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.421 1.076 . . . . 1.0 109.246 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 578' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 110.328 -0.249 . . . . 1.0 110.328 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 579' ' ' ARG . . . . . 0.472 ' O ' ' O ' ' A' ' 565' ' ' MET . 1.7 mtt-85 -126.52 165.1 19.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 1.0 110.283 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 580' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -87.86 125.86 34.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 1.0 111.034 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 581' ' ' PHE . . . . . 0.548 ' CE2' HD11 ' A' ' 588' ' ' LEU . 0.2 OUTLIER -113.12 160.3 18.35 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.454 1.096 . . . . 1.0 111.045 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 582' ' ' TYR . . . . . 0.545 ' O ' ' HA ' ' A' ' 588' ' ' LEU . 1.7 m-85 -146.74 107.6 4.15 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.564 1.165 . . . . 1.0 110.905 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 583' ' ' LEU . . . . . 0.818 HD23 ' O ' ' A' ' 583' ' ' LEU . 0.7 OUTLIER -89.99 112.06 23.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.532 1.145 . . . . 1.0 109.341 179.874 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 584' ' ' PHE . . . . . 0.468 ' CD2' ' HD2' ' A' ' 585' ' ' PRO . 0.8 OUTLIER -101.59 176.0 2.07 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 1.0 110.971 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 585' ' ' PRO . . . . . 0.829 ' HA ' HD11 ' A' ' 560' ' ' ILE . 18.3 Cg_endo -74.93 3.09 5.88 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.508 1.794 . . . . 1.0 111.031 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 586' ' ' ASN . . . . . 0.644 ' HA ' ' CG ' ' A' ' 603' ' ' MET . 56.8 m-80 -168.96 -42.2 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.443 1.089 . . . . 1.0 109.239 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 587' ' ' ARG . . . . . 0.489 ' O ' ' CB ' ' A' ' 588' ' ' LEU . 1.3 mtp85 -88.39 -171.67 3.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 1.0 110.26 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 588' ' ' LEU . . . . . 0.732 ' C ' HD12 ' A' ' 588' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 1.0 109.219 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 601' ' ' LEU . . . . . 0.434 HD23 ' OE1' ' A' ' 605' ' ' GLU . 1.6 mp . . . . . 0 N--CA 1.454 -0.254 0 N-CA-C 109.316 -0.624 . . . . 1.0 109.316 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 602' ' ' THR . . . . . 0.513 HG22 ' O ' ' A' ' 586' ' ' ASN . 0.0 OUTLIER -118.23 -169.71 1.75 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 1.0 110.387 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 603' ' ' MET . . . . . 0.834 ' SD ' ' HB1' ' A' ' 650' ' ' ALA . 0.3 OUTLIER -113.96 39.74 2.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 1.0 110.984 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 604' ' ' GLU . . . . . 0.568 ' HB3' ' HB1' ' A' ' 654' ' ' ALA . 12.5 pt-20 -124.95 54.52 1.41 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.402 1.064 . . . . 1.0 110.323 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 605' ' ' GLU . . . . . 0.486 ' O ' ' C ' ' A' ' 606' ' ' ILE . 2.9 pt-20 -157.93 -50.47 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 1.0 110.308 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 606' ' ' ILE . . . . . 1.37 HG21 ' CD2' ' A' ' 651' ' ' TYR . 0.9 OUTLIER -33.49 133.69 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.558 1.161 . . . . 1.0 109.372 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 607' ' ' GLN . . . . . 0.632 ' HG2' ' CB ' ' A' ' 625' ' ' ARG . 0.5 OUTLIER -90.69 -37.7 13.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 1.0 110.312 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 4.7 m -172.45 128.07 0.54 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.437 1.085 . . . . 1.0 109.977 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 609' ' ' VAL . . . . . 0.792 HG22 ' CD ' ' A' ' 644' ' ' LYS . 7.6 p -93.71 130.53 42.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 1.0 109.326 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 610' ' ' GLU . . . . . 0.845 ' CD ' HD23 ' A' ' 621' ' ' LEU . 0.9 OUTLIER -150.45 -176.14 5.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 1.0 110.261 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 611' ' ' GLU . . . . . 0.506 ' HA ' ' HA ' ' A' ' 620' ' ' LEU . 14.5 tt0 -143.2 133.95 25.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 1.0 110.356 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 612' ' ' THR . . . . . 0.738 HG23 ' HG3' ' A' ' 618' ' ' LYS . 0.0 OUTLIER -90.16 161.61 15.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.564 1.165 . . . . 1.0 110.35 -179.937 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 8.0 mp0 -128.36 155.35 44.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 1.0 110.324 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 614' ' ' ILE . . . . . 0.788 HG22 ' O ' ' A' ' 614' ' ' ILE . 0.2 OUTLIER -142.51 83.59 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.559 1.162 . . . . 1.0 109.331 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 615' ' ' LYS . . . . . 0.43 ' HB2' ' O ' ' A' ' 614' ' ' ILE . 9.8 mmtt 83.24 -32.45 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 1.0 109.263 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 616' ' ' GLU . . . . . 0.433 ' H ' ' C ' ' A' ' 614' ' ' ILE . 1.0 OUTLIER -156.97 -50.25 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 1.0 110.358 -179.929 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 1.8 ttt85 -157.71 138.43 13.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.564 1.165 . . . . 1.0 110.245 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 618' ' ' LYS . . . . . 0.777 ' HB2' HD12 ' A' ' 614' ' ' ILE . 7.5 tptt -115.24 -95.69 0.46 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.4 1.063 . . . . 1.0 109.347 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 619' ' ' CYS . . . . . 0.463 ' HB2' HD12 ' A' ' 631' ' ' ILE . 85.9 m -154.01 173.66 15.7 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.496 1.122 . . . . 1.0 108.268 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 620' ' ' LEU . . . . . 0.996 HD13 ' CD1' ' A' ' 640' ' ' LEU . 0.3 OUTLIER -93.11 132.1 37.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 1.0 109.266 -179.952 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 621' ' ' LEU . . . . . 0.845 HD23 ' CD ' ' A' ' 610' ' ' GLU . 1.3 tp -95.61 161.39 14.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 1.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 622' ' ' LEU . . . . . 1.169 HD21 ' OH ' ' A' ' 651' ' ' TYR . 0.0 OUTLIER -148.23 75.68 1.34 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 1.0 109.302 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 623' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.15 141.62 57.32 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.533 1.146 . . . . 1.0 109.315 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 624' ' ' ILE . . . . . 0.67 HG22 ' H ' ' A' ' 626' ' ' GLY . 11.6 mt -113.7 148.2 16.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.107 . . . . 1.0 109.313 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 625' ' ' ARG . . . . . 0.632 ' CB ' ' HG2' ' A' ' 607' ' ' GLN . 9.1 ptp180 -77.68 3.57 13.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.574 1.171 . . . . 1.0 110.376 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 626' ' ' GLY . . . . . 0.67 ' H ' HG22 ' A' ' 624' ' ' ILE . . . -95.92 -5.45 59.74 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.521 1.138 . . . . 1.0 111.02 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 93.51 35.69 6.13 Favored Glycine 0 CA--C 1.531 1.046 0 N-CA-C 110.987 -0.845 . . . . 1.0 110.987 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 628' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.42 121.6 16.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 0.789 . . . . 1.0 109.324 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 15.7 mp0 -98.96 144.98 27.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 1.0 110.355 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 630' ' ' PHE . . . . . 0.644 ' O ' HD12 ' A' ' 621' ' ' LEU . 0.8 OUTLIER -127.62 144.5 51.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 1.0 110.989 -179.887 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 631' ' ' ILE . . . . . 0.616 HD13 ' O ' ' A' ' 620' ' ' LEU . 0.3 OUTLIER -128.96 107.27 15.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.347 1.03 . . . . 1.0 109.292 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 632' ' ' LEU . . . . . 0.756 HD21 ' CD1' ' A' ' 622' ' ' LEU . 0.4 OUTLIER -121.76 166.75 13.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 1.0 109.267 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 633' ' ' GLN . . . . . 0.45 ' HG3' ' SG ' ' A' ' 619' ' ' CYS . 2.2 tm0? -151.09 -178.48 6.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.427 1.079 . . . . 1.0 110.351 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 634' ' ' CYS . . . . . 0.627 ' SG ' ' HA ' ' A' ' 565' ' ' MET . 0.5 OUTLIER -154.39 163.54 40.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 1.0 108.365 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 635' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -85.13 -23.04 28.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 1.0 109.312 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 636' ' ' SER . . . . . 0.504 ' CB ' ' HG3' ' A' ' 639' ' ' GLU . 0.5 OUTLIER -91.33 150.08 21.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.438 1.086 . . . . 1.0 110.037 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 637' ' ' ASP . . . . . 0.595 ' N ' ' CD ' ' A' ' 638' ' ' PRO . 0.7 OUTLIER -81.08 -47.0 1.14 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 1.0 109.282 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 638' ' ' PRO . . . . . 0.595 ' CD ' ' N ' ' A' ' 637' ' ' ASP . 18.1 Cg_endo -74.96 -51.99 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.522 1.801 . . . . 1.0 111.053 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 639' ' ' GLU . . . . . 0.558 ' C ' ' O ' ' A' ' 638' ' ' PRO . 20.5 mt-10 -25.89 -82.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.565 1.166 . . . . 1.0 110.325 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 640' ' ' LEU . . . . . 0.996 ' CD1' HD13 ' A' ' 620' ' ' LEU . 0.2 OUTLIER -46.39 -47.58 18.76 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.466 1.104 . . . . 1.0 109.324 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 641' ' ' VAL . . . . . 0.566 HG12 ' N ' ' A' ' 642' ' ' GLN . 0.7 OUTLIER -46.67 -54.62 2.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 1.0 109.279 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 642' ' ' GLN . . . . . 0.566 ' N ' HG12 ' A' ' 641' ' ' VAL . 0.0 OUTLIER -64.34 -39.19 93.4 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.545 1.153 . . . . 1.0 110.273 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 643' ' ' TRP . . . . . 0.622 ' CZ3' ' CB ' ' A' ' 583' ' ' LEU . 24.2 m95 -55.04 -45.87 75.26 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.002 -1.11 . . . . 1.0 108.002 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 644' ' ' LYS . . . . . 0.792 ' CD ' HG22 ' A' ' 609' ' ' VAL . 0.1 OUTLIER -55.27 -58.35 8.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.625 1.203 . . . . 1.0 109.427 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 645' ' ' LYS . . . . . 0.401 ' HB3' ' OE1' ' A' ' 646' ' ' GLU . 2.5 tmtm? -41.42 -54.68 3.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.438 1.087 . . . . 1.0 109.236 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 646' ' ' GLU . . . . . 0.754 ' HG2' HG22 ' A' ' 560' ' ' ILE . 0.8 OUTLIER -66.8 -33.6 75.98 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.456 1.098 . . . . 1.0 110.318 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 647' ' ' LEU . . . . . 0.934 HD22 ' OH ' ' A' ' 651' ' ' TYR . 23.2 mt -65.03 -62.35 1.6 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 1.0 109.276 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 648' ' ' ARG . . . . . 0.459 ' HG3' ' CG1' ' A' ' 609' ' ' VAL . 2.6 ttp180 -38.55 -59.77 0.88 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 1.0 110.289 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 649' ' ' ASP . . . . . 0.456 ' O ' ' N ' ' A' ' 653' ' ' GLU . 42.4 t0 -57.3 -44.53 84.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 1.0 109.332 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 650' ' ' ALA . . . . . 0.834 ' HB1' ' SD ' ' A' ' 603' ' ' MET . . . -51.77 -54.11 32.23 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.126 . . . . 1.0 109.207 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 651' ' ' TYR . . . . . 1.37 ' CD2' HG21 ' A' ' 606' ' ' ILE . 4.1 m-30 -67.09 -23.03 65.81 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.468 1.105 . . . . 1.0 110.976 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 652' ' ' ARG . . . . . 0.559 ' O ' ' HG2' ' A' ' 655' ' ' GLN . 15.2 mtp-105 -82.28 -71.5 0.48 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.46 1.1 . . . . 1.0 110.339 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 653' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 649' ' ' ASP . 0.1 OUTLIER -37.22 -31.59 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.553 1.158 . . . . 1.0 110.27 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 654' ' ' ALA . . . . . 0.578 ' HB3' ' O ' ' A' ' 603' ' ' MET . . . -77.36 -51.77 10.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.11 . . . . 1.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 655' ' ' GLN . . . . . 0.559 ' HG2' ' O ' ' A' ' 652' ' ' ARG . 1.5 pt20 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 1.0 110.297 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 559' ' ' CYS . . . . . . . . . . . . . 47.6 t . . . . . 0 N--CA 1.454 -0.233 0 N-CA-C 108.224 -1.028 . . . . 1.0 108.224 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 560' ' ' ILE . . . . . 0.779 HD11 ' HA ' ' A' ' 585' ' ' PRO . 53.2 mt -84.29 -59.0 3.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 1.0 109.34 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 561' ' ' MET . . . . . 0.435 ' SD ' ' OE2' ' A' ' 646' ' ' GLU . 0.0 OUTLIER -143.84 129.22 18.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 1.0 110.983 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 562' ' ' HIS . . . . . 0.514 ' HA ' ' CZ2' ' A' ' 643' ' ' TRP . 0.2 OUTLIER -130.03 156.45 44.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 1.0 109.561 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 563' ' ' GLY . . . . . 0.566 ' CA ' ' CE1' ' A' ' 580' ' ' TYR . . . 166.82 -172.0 41.84 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.497 1.123 . . . . 1.0 111.054 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 564' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -100.25 122.21 42.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 0.775 . . . . 1.0 111.043 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 565' ' ' MET . . . . . 0.576 ' SD ' ' CD2' ' A' ' 643' ' ' TRP . 2.5 ptt? -153.21 140.37 19.42 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.519 1.137 . . . . 1.0 110.993 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 566' ' ' SER . . . . . 0.493 ' HB2' ' HA ' ' A' ' 578' ' ' ARG . 0.3 OUTLIER -93.16 153.77 18.45 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 1.0 110.001 179.945 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 567' ' ' LYS . . . . . 0.521 ' HD3' ' CD1' ' A' ' 630' ' ' PHE . 4.1 tmmm? . . . . . 0 C--N 1.324 -0.529 0 O-C-N 124.504 1.127 . . . . 1.0 109.373 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 578' ' ' ARG . . . . . 0.493 ' HA ' ' HB2' ' A' ' 566' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.214 -0.291 . . . . 1.0 110.214 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 579' ' ' ARG . . . . . 0.572 ' HB2' ' CE1' ' A' ' 581' ' ' PHE . 59.9 mtp180 -146.07 154.72 42.16 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.462 1.101 . . . . 1.0 110.277 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 580' ' ' TYR . . . . . 0.566 ' CE1' ' CA ' ' A' ' 563' ' ' GLY . 0.5 OUTLIER -97.98 118.44 34.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.433 1.083 . . . . 1.0 110.992 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 581' ' ' PHE . . . . . 0.572 ' CE1' ' HB2' ' A' ' 579' ' ' ARG . 12.9 m-30 -115.08 172.95 6.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.604 1.19 . . . . 1.0 110.929 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 582' ' ' TYR . . . . . 0.472 ' CA ' ' HH2' ' A' ' 643' ' ' TRP . 21.9 m-85 -136.03 124.02 22.82 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 1.0 110.999 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 583' ' ' LEU . . . . . 0.732 HD11 ' HG ' ' A' ' 647' ' ' LEU . 7.7 tp -88.45 111.82 22.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 1.0 109.305 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 584' ' ' PHE . . . . . 0.523 ' HB2' ' C ' ' A' ' 587' ' ' ARG . 7.1 m-85 -100.91 171.86 5.04 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.548 1.155 . . . . 1.0 110.979 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 585' ' ' PRO . . . . . 0.779 ' HA ' HD11 ' A' ' 560' ' ' ILE . 18.1 Cg_endo -75.09 15.36 0.76 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.555 1.818 . . . . 1.0 110.981 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 586' ' ' ASN . . . . . 0.704 ' HA ' ' CG ' ' A' ' 603' ' ' MET . 0.7 OUTLIER 176.39 -40.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 1.0 109.3 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 587' ' ' ARG . . . . . 0.62 ' HA ' ' HA ' ' A' ' 602' ' ' THR . 0.0 OUTLIER -86.38 -167.54 1.91 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 1.0 110.271 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 588' ' ' LEU . . . . . 0.576 ' C ' HD12 ' A' ' 588' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 1.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 601' ' ' LEU . . . . . 0.566 HD11 ' OE2' ' A' ' 605' ' ' GLU . 44.3 tp . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.244 -0.65 . . . . 1.0 109.244 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 602' ' ' THR . . . . . 0.62 ' HA ' ' HA ' ' A' ' 587' ' ' ARG . 0.0 OUTLIER -114.84 -166.18 1.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 1.0 110.49 179.94 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 603' ' ' MET . . . . . 0.785 ' SD ' ' HB1' ' A' ' 650' ' ' ALA . 0.2 OUTLIER -125.38 38.72 4.12 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.445 1.091 . . . . 1.0 111.025 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 604' ' ' GLU . . . . . 0.587 ' HB3' ' HB1' ' A' ' 654' ' ' ALA . 10.7 pt-20 -126.16 58.82 1.34 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.45 1.094 . . . . 1.0 110.31 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 605' ' ' GLU . . . . . 0.566 ' OE2' HD11 ' A' ' 601' ' ' LEU . 3.1 pt-20 -157.68 -52.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 1.0 110.238 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 606' ' ' ILE . . . . . 1.313 HG21 ' CD2' ' A' ' 651' ' ' TYR . 0.9 OUTLIER -36.66 134.1 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.478 1.111 . . . . 1.0 109.321 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 607' ' ' GLN . . . . . 0.643 ' HG2' ' CB ' ' A' ' 625' ' ' ARG . 0.1 OUTLIER -83.74 -41.25 17.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.091 . . . . 1.0 110.243 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 608' ' ' SER . . . . . 0.462 ' O ' ' CD ' ' A' ' 623' ' ' LYS . 3.4 m -176.63 132.72 0.21 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.432 1.083 . . . . 1.0 110.064 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 609' ' ' VAL . . . . . 0.786 HG22 ' CD ' ' A' ' 644' ' ' LYS . 9.6 p -98.05 150.44 4.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 1.0 109.302 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 610' ' ' GLU . . . . . 1.013 ' HB2' HD23 ' A' ' 621' ' ' LEU . 0.6 OUTLIER -162.41 -168.53 1.87 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.372 1.045 . . . . 1.0 110.404 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 611' ' ' GLU . . . . . 0.549 ' HA ' ' HA ' ' A' ' 620' ' ' LEU . 32.2 tt0 -145.09 148.72 33.97 Favored 'General case' 0 C--N 1.322 -0.6 0 O-C-N 124.643 1.215 . . . . 1.0 110.346 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 612' ' ' THR . . . . . 0.877 HG23 ' HG3' ' A' ' 618' ' ' LYS . 0.1 OUTLIER -115.82 166.31 12.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 1.0 110.337 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 613' ' ' GLN . . . . . 0.469 ' N ' ' HB3' ' A' ' 618' ' ' LYS . 10.9 mt-30 -134.09 156.55 48.06 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.47 1.106 . . . . 1.0 110.301 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 614' ' ' ILE . . . . . 0.749 HG22 ' O ' ' A' ' 614' ' ' ILE . 0.0 OUTLIER -140.29 85.29 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 1.0 109.296 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 615' ' ' LYS . . . . . 0.402 ' HB2' ' O ' ' A' ' 614' ' ' ILE . 11.4 mmtm 81.29 -35.71 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 1.0 109.295 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 616' ' ' GLU . . . . . 0.442 ' H ' ' C ' ' A' ' 614' ' ' ILE . 2.5 tt0 -156.12 -44.31 0.08 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.493 1.121 . . . . 1.0 110.277 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 2.7 ttm180 -154.7 136.15 14.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.101 . . . . 1.0 110.317 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 618' ' ' LYS . . . . . 0.877 ' HG3' HG23 ' A' ' 612' ' ' THR . 5.8 tptt -117.42 -95.33 0.48 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 1.0 109.299 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 619' ' ' CYS . . . . . 0.474 ' O ' ' CG ' ' A' ' 611' ' ' GLU . 6.9 m -158.96 -170.7 3.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.527 1.142 . . . . 1.0 108.335 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 620' ' ' LEU . . . . . 1.065 ' CD1' HD12 ' A' ' 640' ' ' LEU . 0.1 OUTLIER -104.26 143.32 33.12 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.464 1.102 . . . . 1.0 109.268 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 621' ' ' LEU . . . . . 1.013 HD23 ' HB2' ' A' ' 610' ' ' GLU . 5.7 tp -94.43 159.49 15.08 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.526 1.142 . . . . 1.0 109.261 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 622' ' ' LEU . . . . . 0.883 HD21 ' HE2' ' A' ' 651' ' ' TYR . 0.8 OUTLIER -162.96 85.66 0.53 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.556 1.16 . . . . 1.0 109.226 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 623' ' ' LYS . . . . . 0.462 ' CD ' ' O ' ' A' ' 608' ' ' SER . 0.0 OUTLIER -90.93 138.24 31.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 1.0 109.334 179.915 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 624' ' ' ILE . . . . . 0.963 HG22 ' H ' ' A' ' 626' ' ' GLY . 71.4 mt -103.94 143.38 15.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 1.0 109.334 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 625' ' ' ARG . . . . . 0.643 ' CB ' ' HG2' ' A' ' 607' ' ' GLN . 2.9 ptm180 -79.41 3.64 17.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.432 1.083 . . . . 1.0 110.254 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 626' ' ' GLY . . . . . 0.963 ' H ' HG22 ' A' ' 624' ' ' ILE . . . -88.12 -20.42 49.54 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.553 1.158 . . . . 1.0 111.008 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 116.14 41.14 0.78 Allowed Glycine 0 CA--C 1.529 0.935 0 N-CA-C 110.991 -0.844 . . . . 1.0 110.991 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 628' ' ' LYS . . . . . . . . . . . . . 1.2 mtmm -143.97 170.16 16.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 0.731 . . . . 1.0 109.263 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -143.61 135.11 26.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 1.0 110.339 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 630' ' ' PHE . . . . . 0.521 ' CD1' ' HD3' ' A' ' 567' ' ' LYS . 0.4 OUTLIER -125.07 166.91 15.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.15 . . . . 1.0 110.908 -179.954 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 631' ' ' ILE . . . . . 0.47 ' O ' HG22 ' A' ' 631' ' ' ILE . 0.2 OUTLIER -145.8 112.11 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.537 1.148 . . . . 1.0 109.294 179.872 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 632' ' ' LEU . . . . . 0.69 HD11 ' CD1' ' A' ' 622' ' ' LEU . 0.8 OUTLIER -83.28 152.77 24.99 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.095 . . . . 1.0 109.333 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 633' ' ' GLN . . . . . 0.472 ' HB2' ' SG ' ' A' ' 619' ' ' CYS . 3.0 tm0? -153.13 103.42 2.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 1.0 110.335 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 634' ' ' CYS . . . . . 0.588 ' HB2' HD23 ' A' ' 640' ' ' LEU . 8.7 t -116.51 164.06 15.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 1.0 108.221 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 635' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -88.1 -14.96 37.5 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.477 1.11 . . . . 1.0 109.299 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 636' ' ' SER . . . . . 0.472 ' CB ' ' HB2' ' A' ' 639' ' ' GLU . 0.4 OUTLIER -92.52 146.92 23.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 1.0 110.084 179.927 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 637' ' ' ASP . . . . . 0.622 ' N ' ' CD ' ' A' ' 638' ' ' PRO . 3.2 t0 -84.23 -45.12 0.75 Allowed Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.452 1.095 . . . . 1.0 109.255 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 638' ' ' PRO . . . . . 0.622 ' CD ' ' N ' ' A' ' 637' ' ' ASP . 18.6 Cg_endo -75.0 -52.76 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.517 1.799 . . . . 1.0 110.996 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 639' ' ' GLU . . . . . 0.55 ' C ' ' O ' ' A' ' 638' ' ' PRO . 23.2 mm-40 -25.54 -80.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.531 1.144 . . . . 1.0 110.249 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 640' ' ' LEU . . . . . 1.065 HD12 ' CD1' ' A' ' 620' ' ' LEU . 0.2 OUTLIER -50.47 -46.35 56.83 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.461 1.101 . . . . 1.0 109.285 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 641' ' ' VAL . . . . . 0.638 HG12 ' N ' ' A' ' 642' ' ' GLN . 0.9 OUTLIER -45.84 -59.17 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 1.0 109.304 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 642' ' ' GLN . . . . . 0.638 ' N ' HG12 ' A' ' 641' ' ' VAL . 0.1 OUTLIER -62.6 -39.98 95.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.433 1.083 . . . . 1.0 110.249 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 643' ' ' TRP . . . . . 0.835 ' C ' HD12 ' A' ' 647' ' ' LEU . 22.6 m95 -54.46 -46.88 73.41 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.982 -1.118 . . . . 1.0 107.982 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 644' ' ' LYS . . . . . 0.786 ' CD ' HG22 ' A' ' 609' ' ' VAL . 0.1 OUTLIER -57.4 -61.04 2.77 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.521 1.138 . . . . 1.0 109.363 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 645' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 644' ' ' LYS . 10.0 tmtt? -38.58 -57.89 1.11 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.58 1.175 . . . . 1.0 109.354 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 646' ' ' GLU . . . . . 0.711 ' CB ' HD23 ' A' ' 583' ' ' LEU . 0.7 OUTLIER -66.12 -35.49 80.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.561 1.163 . . . . 1.0 110.282 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 647' ' ' LEU . . . . . 0.835 HD12 ' C ' ' A' ' 643' ' ' TRP . 0.4 OUTLIER -66.03 -64.25 0.9 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 1.0 109.353 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 648' ' ' ARG . . . . . 0.552 ' N ' ' O ' ' A' ' 644' ' ' LYS . 0.2 OUTLIER -35.88 -57.87 0.66 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 1.0 110.311 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 649' ' ' ASP . . . . . 0.44 ' O ' ' N ' ' A' ' 653' ' ' GLU . 47.2 t0 -60.01 -43.23 95.37 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.555 1.16 . . . . 1.0 109.328 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 650' ' ' ALA . . . . . 0.785 ' HB1' ' SD ' ' A' ' 603' ' ' MET . . . -52.41 -51.2 60.32 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.536 1.148 . . . . 1.0 109.322 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 651' ' ' TYR . . . . . 1.313 ' CD2' HG21 ' A' ' 606' ' ' ILE . 21.3 m-30 -70.55 -28.63 65.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 1.0 110.976 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 652' ' ' ARG . . . . . 0.62 ' O ' ' HG2' ' A' ' 655' ' ' GLN . 4.4 mmm180 -75.99 -63.18 1.37 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.424 1.078 . . . . 1.0 110.352 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 653' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 649' ' ' ASP . 3.6 tp10 -45.64 -30.65 1.6 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 1.0 110.302 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 654' ' ' ALA . . . . . 0.587 ' HB1' ' HB3' ' A' ' 604' ' ' GLU . . . -80.12 -53.78 6.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 1.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 655' ' ' GLN . . . . . 0.62 ' HG2' ' O ' ' A' ' 652' ' ' ARG . 6.3 pt20 . . . . . 0 C--N 1.324 -0.529 0 O-C-N 124.468 1.105 . . . . 1.0 110.259 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 559' ' ' CYS . . . . . 0.591 ' CA ' ' HD3' ' A' ' 585' ' ' PRO . 4.7 t . . . . . 0 N--CA 1.455 -0.214 0 N-CA-C 108.318 -0.993 . . . . 1.0 108.318 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 560' ' ' ILE . . . . . 0.625 HD11 ' HA ' ' A' ' 585' ' ' PRO . 39.2 mt -97.49 -64.62 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.148 . . . . 1.0 109.322 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 561' ' ' MET . . . . . 0.498 ' HB2' ' HG2' ' A' ' 646' ' ' GLU . 0.0 OUTLIER -152.94 138.88 18.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.584 1.178 . . . . 1.0 110.983 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 562' ' ' HIS . . . . . . . . . . . . . 4.6 p80 -128.32 153.64 46.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 1.0 109.572 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 563' ' ' GLY . . . . . . . . . . . . . . . 171.39 -176.5 44.63 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.452 1.095 . . . . 1.0 111.057 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 564' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -103.68 121.72 43.55 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.511 0.771 . . . . 1.0 111.004 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 565' ' ' MET . . . . . 0.618 ' SD ' ' CE2' ' A' ' 643' ' ' TRP . 2.6 ptm -150.95 152.68 33.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 1.0 111.04 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 566' ' ' SER . . . . . 0.476 ' OG ' ' O ' ' A' ' 633' ' ' GLN . 0.3 OUTLIER -102.52 136.69 41.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 1.0 109.972 -179.933 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 567' ' ' LYS . . . . . 0.643 ' HE2' ' CE1' ' A' ' 630' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.423 1.077 . . . . 1.0 109.357 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 578' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 110.306 -0.257 . . . . 1.0 110.306 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 579' ' ' ARG . . . . . 0.493 ' O ' ' O ' ' A' ' 565' ' ' MET . 10.3 mtm180 -131.73 161.65 32.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 1.0 110.344 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 580' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -89.58 123.63 33.82 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.533 1.146 . . . . 1.0 111.082 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 581' ' ' PHE . . . . . 0.614 ' CD2' HD11 ' A' ' 588' ' ' LEU . 2.6 m-85 -117.5 159.94 22.03 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.547 1.154 . . . . 1.0 111.044 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 582' ' ' TYR . . . . . 0.411 ' O ' ' HA ' ' A' ' 588' ' ' LEU . 82.4 m-85 -139.15 122.64 17.27 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.507 1.129 . . . . 1.0 111.068 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 583' ' ' LEU . . . . . 0.855 HD23 ' HB3' ' A' ' 646' ' ' GLU . 6.1 tp -90.01 102.97 15.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 1.0 109.35 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 584' ' ' PHE . . . . . 0.457 ' CB ' ' O ' ' A' ' 587' ' ' ARG . 0.2 OUTLIER -103.81 147.43 34.25 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.45 1.094 . . . . 1.0 110.981 -179.94 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 585' ' ' PRO . . . . . 0.625 ' HA ' HD11 ' A' ' 560' ' ' ILE . 18.2 Cg_endo -75.07 64.48 6.11 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.459 1.768 . . . . 1.0 110.931 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 586' ' ' ASN . . . . . 0.739 ' O ' HG22 ' A' ' 602' ' ' THR . 7.9 m-20 151.2 -31.04 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.445 1.091 . . . . 1.0 109.341 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 587' ' ' ARG . . . . . 0.543 ' HA ' ' HA ' ' A' ' 602' ' ' THR . 0.0 OUTLIER -142.6 -175.03 4.31 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.134 . . . . 1.0 110.411 179.937 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 588' ' ' LEU . . . . . 0.614 HD11 ' CD2' ' A' ' 581' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.46 1.1 . . . . 1.0 109.351 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 3.8 mm? . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.255 -0.646 . . . . 1.0 109.255 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 602' ' ' THR . . . . . 0.739 HG22 ' O ' ' A' ' 586' ' ' ASN . 0.2 OUTLIER -104.86 -157.58 0.62 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 1.0 110.348 -179.932 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 603' ' ' MET . . . . . 0.528 ' SD ' ' HA ' ' A' ' 586' ' ' ASN . 0.7 OUTLIER -126.52 20.59 7.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.14 . . . . 1.0 110.932 -179.946 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 604' ' ' GLU . . . . . 0.478 ' HB3' ' HB1' ' A' ' 654' ' ' ALA . 9.2 pt-20 -121.58 66.13 0.89 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 1.0 110.323 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 605' ' ' GLU . . . . . 0.409 ' HB2' HG23 ' A' ' 624' ' ' ILE . 3.2 pt-20 -158.6 -49.59 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 1.0 110.293 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 606' ' ' ILE . . . . . 1.239 HG21 ' CD2' ' A' ' 651' ' ' TYR . 1.1 mp -46.15 134.9 2.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.556 1.16 . . . . 1.0 109.273 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 607' ' ' GLN . . . . . 0.518 ' HG3' ' HA ' ' A' ' 625' ' ' ARG . 0.0 OUTLIER -88.3 -37.63 15.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 1.0 110.369 179.898 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 608' ' ' SER . . . . . 0.515 ' O ' ' CD ' ' A' ' 623' ' ' LYS . 0.8 OUTLIER -176.23 135.1 0.26 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 1.0 109.994 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 609' ' ' VAL . . . . . 0.946 HG22 ' CD ' ' A' ' 644' ' ' LYS . 4.1 p -107.38 142.44 20.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 1.0 109.255 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 610' ' ' GLU . . . . . 0.92 ' CD ' HD23 ' A' ' 621' ' ' LEU . 0.1 OUTLIER -163.92 173.7 12.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.579 1.174 . . . . 1.0 110.313 179.925 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 611' ' ' GLU . . . . . 0.604 ' HA ' ' HA ' ' A' ' 620' ' ' LEU . 20.4 tt0 -119.9 145.13 46.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 1.0 110.298 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 612' ' ' THR . . . . . 0.509 HG23 ' HB3' ' A' ' 618' ' ' LYS . 3.2 t -110.77 139.84 45.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.383 1.052 . . . . 1.0 110.452 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -111.58 158.27 19.41 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 1.0 110.298 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 614' ' ' ILE . . . . . 0.735 ' O ' ' CG2' ' A' ' 614' ' ' ILE . 0.0 OUTLIER -146.55 87.93 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 1.0 109.212 179.932 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 615' ' ' LYS . . . . . 0.444 ' CB ' ' O ' ' A' ' 614' ' ' ILE . 2.8 mttp 84.3 -36.97 0.06 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.155 . . . . 1.0 109.274 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 616' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -155.68 -50.24 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 1.0 110.307 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 617' ' ' ARG . . . . . 0.637 ' CZ ' ' OD1' ' A' ' 637' ' ' ASP . 10.4 ttt180 -161.73 133.37 5.48 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.548 1.155 . . . . 1.0 110.343 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 618' ' ' LYS . . . . . 0.534 ' CG ' HD13 ' A' ' 614' ' ' ILE . 0.6 OUTLIER -112.94 -101.95 0.41 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 1.0 109.236 -179.903 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 619' ' ' CYS . . . . . 0.667 ' SG ' ' CG ' ' A' ' 633' ' ' GLN . 0.0 OUTLIER -145.38 -161.31 1.28 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 1.0 108.21 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 620' ' ' LEU . . . . . 1.158 ' CD1' HD12 ' A' ' 640' ' ' LEU . 0.0 OUTLIER -114.51 156.96 23.64 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.499 1.124 . . . . 1.0 109.358 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 621' ' ' LEU . . . . . 0.92 HD23 ' CD ' ' A' ' 610' ' ' GLU . 0.4 OUTLIER -117.34 154.74 30.76 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.523 1.139 . . . . 1.0 109.3 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 622' ' ' LEU . . . . . 0.685 ' H ' HD12 ' A' ' 621' ' ' LEU . 5.9 mt -149.23 87.67 1.54 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 1.0 109.286 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 623' ' ' LYS . . . . . 0.515 ' CD ' ' O ' ' A' ' 608' ' ' SER . 0.0 OUTLIER -86.66 135.66 33.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.428 1.08 . . . . 1.0 109.244 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 624' ' ' ILE . . . . . 0.943 HG22 ' H ' ' A' ' 626' ' ' GLY . 71.8 mt -107.2 143.0 18.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.145 . . . . 1.0 109.234 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 625' ' ' ARG . . . . . 0.518 ' HA ' ' HG3' ' A' ' 607' ' ' GLN . 0.0 OUTLIER -77.9 2.71 16.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 1.0 110.291 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 626' ' ' GLY . . . . . 0.943 ' H ' HG22 ' A' ' 624' ' ' ILE . . . -85.39 -28.04 31.32 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.518 1.136 . . . . 1.0 110.997 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 129.68 -5.23 6.19 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.942 -0.863 . . . . 1.0 110.942 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 628' ' ' LYS . . . . . . . . . . . . . 8.4 mtmt -106.42 168.06 9.42 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.416 0.715 . . . . 1.0 109.228 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 21.3 mp0 -135.55 173.38 11.78 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.42 1.075 . . . . 1.0 110.306 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 630' ' ' PHE . . . . . 0.643 ' CE1' ' HE2' ' A' ' 567' ' ' LYS . 0.3 OUTLIER -152.61 160.59 43.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 1.0 111.036 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 631' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -140.91 114.33 5.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 1.0 109.294 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 632' ' ' LEU . . . . . 0.813 HD13 HD11 ' A' ' 640' ' ' LEU . 0.5 OUTLIER -84.4 149.2 26.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 1.0 109.246 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 633' ' ' GLN . . . . . 0.667 ' CG ' ' SG ' ' A' ' 619' ' ' CYS . 0.5 OUTLIER -154.72 104.77 2.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 1.0 110.346 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 634' ' ' CYS . . . . . 0.418 ' SG ' ' OE1' ' A' ' 639' ' ' GLU . 12.2 t -122.89 148.35 45.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 1.0 108.258 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 635' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.17 -6.21 37.73 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.544 1.153 . . . . 1.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 636' ' ' SER . . . . . 0.494 ' CB ' ' HB2' ' A' ' 639' ' ' GLU . 1.6 m -102.54 143.36 32.34 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.45 1.094 . . . . 1.0 109.978 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 637' ' ' ASP . . . . . 0.648 ' N ' ' CD ' ' A' ' 638' ' ' PRO . 0.4 OUTLIER -81.45 -43.7 1.12 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.567 1.167 . . . . 1.0 109.246 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 638' ' ' PRO . . . . . 0.648 ' CD ' ' N ' ' A' ' 637' ' ' ASP . 18.6 Cg_endo -75.0 -52.45 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.563 1.823 . . . . 1.0 111.007 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 639' ' ' GLU . . . . . 0.561 ' C ' ' O ' ' A' ' 638' ' ' PRO . 2.6 tt0 -25.21 -76.12 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.437 1.086 . . . . 1.0 110.345 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 640' ' ' LEU . . . . . 1.158 HD12 ' CD1' ' A' ' 620' ' ' LEU . 0.2 OUTLIER -53.56 -51.91 61.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 1.0 109.292 179.949 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 641' ' ' VAL . . . . . 0.637 HG12 ' N ' ' A' ' 642' ' ' GLN . 0.8 OUTLIER -41.3 -58.93 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.518 1.136 . . . . 1.0 109.351 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 642' ' ' GLN . . . . . 0.637 ' N ' HG12 ' A' ' 641' ' ' VAL . 0.0 OUTLIER -64.68 -42.16 95.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 1.0 110.231 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 643' ' ' TRP . . . . . 0.825 ' O ' HD12 ' A' ' 647' ' ' LEU . 11.2 m95 -52.25 -42.51 63.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 1.0 107.993 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 644' ' ' LYS . . . . . 0.946 ' CD ' HG22 ' A' ' 609' ' ' VAL . 0.0 OUTLIER -58.18 -59.35 5.44 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.465 1.103 . . . . 1.0 109.322 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 645' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 644' ' ' LYS . 7.9 tmtm? -39.18 -55.12 1.7 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.42 1.075 . . . . 1.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 646' ' ' GLU . . . . . 0.855 ' HB3' HD23 ' A' ' 583' ' ' LEU . 1.0 OUTLIER -64.98 -37.42 87.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 1.0 110.368 179.914 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 647' ' ' LEU . . . . . 0.825 HD12 ' O ' ' A' ' 643' ' ' TRP . 0.6 OUTLIER -64.69 -62.72 1.4 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.564 1.165 . . . . 1.0 109.347 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 648' ' ' ARG . . . . . 0.485 ' HG3' ' CG1' ' A' ' 609' ' ' VAL . 6.3 ttp180 -36.97 -50.84 0.9 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.363 1.039 . . . . 1.0 110.321 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 649' ' ' ASP . . . . . 0.435 ' O ' ' C ' ' A' ' 650' ' ' ALA . 43.3 t0 -64.23 -58.49 6.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 1.0 109.309 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 650' ' ' ALA . . . . . 0.513 ' O ' ' HB2' ' A' ' 603' ' ' MET . . . -37.42 -50.81 1.09 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.586 1.179 . . . . 1.0 109.349 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 651' ' ' TYR . . . . . 1.239 ' CD2' HG21 ' A' ' 606' ' ' ILE . 10.9 m-30 -69.95 -47.86 60.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 1.0 111.05 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 652' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' A' ' 655' ' ' GLN . 23.3 mtp180 -57.02 -62.52 1.69 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 1.0 110.297 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 653' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -39.57 -54.54 1.98 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 1.0 110.307 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 654' ' ' ALA . . . . . 0.478 ' HB1' ' HB3' ' A' ' 604' ' ' GLU . . . -47.97 -45.27 31.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 1.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 655' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' A' ' 652' ' ' ARG . 55.7 mt-30 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 1.0 110.248 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 559' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 108.224 -1.028 . . . . 1.0 108.224 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 560' ' ' ILE . . . . . 0.93 HD11 ' HA ' ' A' ' 585' ' ' PRO . 49.4 mt -75.49 -59.79 2.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 1.0 109.337 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 561' ' ' MET . . . . . 0.53 ' CE ' ' HB3' ' A' ' 642' ' ' GLN . 0.0 OUTLIER -137.02 142.52 42.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.1 . . . . 1.0 111.039 179.902 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 562' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -141.45 148.37 39.4 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.554 1.159 . . . . 1.0 109.601 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 563' ' ' GLY . . . . . . . . . . . . . . . 171.11 -171.36 43.88 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.485 1.115 . . . . 1.0 111.058 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 564' ' ' TYR . . . . . 0.411 ' HE1' ' CA ' ' A' ' 579' ' ' ARG . 0.8 OUTLIER -107.12 120.54 42.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 0.729 . . . . 1.0 110.899 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 565' ' ' MET . . . . . 0.597 ' O ' ' O ' ' A' ' 579' ' ' ARG . 1.8 ptt? -151.87 150.68 30.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 1.0 111.048 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 566' ' ' SER . . . . . 0.446 ' OG ' ' O ' ' A' ' 633' ' ' GLN . 0.2 OUTLIER -96.67 149.01 22.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 1.0 110.022 -179.931 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 567' ' ' LYS . . . . . 0.657 ' HE2' ' CD1' ' A' ' 630' ' ' PHE . 12.1 tttt . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 1.0 109.215 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 578' ' ' ARG . . . . . 0.419 ' HA ' ' HB2' ' A' ' 566' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 110.353 -0.24 . . . . 1.0 110.353 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 579' ' ' ARG . . . . . 0.597 ' O ' ' O ' ' A' ' 565' ' ' MET . 2.4 mmt85 -136.32 166.52 23.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 1.0 110.278 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 580' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -89.33 136.29 33.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 1.0 110.965 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 581' ' ' PHE . . . . . 0.544 ' HB3' ' CH2' ' A' ' 643' ' ' TRP . 0.6 OUTLIER -120.44 166.77 13.12 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.442 1.089 . . . . 1.0 111.008 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 582' ' ' TYR . . . . . 0.436 ' O ' ' HA ' ' A' ' 588' ' ' LEU . 0.4 OUTLIER -146.7 114.2 6.35 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.513 1.133 . . . . 1.0 111.051 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 583' ' ' LEU . . . . . 0.827 HD21 ' HG ' ' A' ' 647' ' ' LEU . 5.7 tp -90.28 109.05 20.16 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.591 1.182 . . . . 1.0 109.343 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 584' ' ' PHE . . . . . 0.475 ' C ' ' H ' ' A' ' 586' ' ' ASN . 0.5 OUTLIER -98.16 162.83 20.76 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.524 1.14 . . . . 1.0 110.956 -179.922 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 585' ' ' PRO . . . . . 0.93 ' HA ' HD11 ' A' ' 560' ' ' ILE . 18.4 Cg_endo -74.96 37.2 0.46 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.473 1.775 . . . . 1.0 111.064 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 586' ' ' ASN . . . . . 0.746 ' O ' ' HG3' ' A' ' 603' ' ' MET . 12.9 m-20 167.16 -48.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.424 1.077 . . . . 1.0 109.335 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 587' ' ' ARG . . . . . 0.607 ' HA ' ' HA ' ' A' ' 602' ' ' THR . 0.0 OUTLIER -98.88 -168.28 1.61 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.562 1.164 . . . . 1.0 110.309 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 588' ' ' LEU . . . . . 0.767 ' C ' HD12 ' A' ' 588' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.604 1.19 . . . . 1.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.216 -0.661 . . . . 1.0 109.216 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 602' ' ' THR . . . . . 0.607 ' HA ' ' HA ' ' A' ' 587' ' ' ARG . 0.2 OUTLIER -109.01 -146.52 0.4 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 1.0 110.37 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 603' ' ' MET . . . . . 0.883 ' SD ' ' HB2' ' A' ' 654' ' ' ALA . 0.0 OUTLIER -136.75 26.79 3.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 1.0 110.977 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -125.06 56.76 1.32 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 1.0 110.326 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 605' ' ' GLU . . . . . 0.639 ' HB2' HG23 ' A' ' 624' ' ' ILE . 2.8 pt-20 -158.26 -58.58 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 1.0 110.226 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 606' ' ' ILE . . . . . 1.206 HG21 ' CD2' ' A' ' 651' ' ' TYR . 1.3 mp -33.43 133.71 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 1.0 109.277 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 607' ' ' GLN . . . . . 0.468 ' CG ' ' CB ' ' A' ' 625' ' ' ARG . 0.0 OUTLIER -88.85 -37.07 15.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.57 1.168 . . . . 1.0 110.199 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -174.52 137.41 0.49 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 1.0 109.969 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 609' ' ' VAL . . . . . 0.942 HG22 ' CD ' ' A' ' 644' ' ' LYS . 3.6 p -106.36 141.79 20.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.595 1.184 . . . . 1.0 109.343 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 610' ' ' GLU . . . . . 0.788 ' HG3' HD23 ' A' ' 621' ' ' LEU . 0.4 OUTLIER -159.1 -165.85 1.7 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 1.0 110.273 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 611' ' ' GLU . . . . . 0.534 ' HA ' ' HA ' ' A' ' 620' ' ' LEU . 21.4 tt0 -146.23 144.65 30.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 1.0 110.254 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 612' ' ' THR . . . . . 0.808 HG23 ' HG3' ' A' ' 618' ' ' LYS . 0.0 OUTLIER -106.58 164.81 11.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 1.0 110.404 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -129.53 161.68 29.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.408 1.068 . . . . 1.0 110.274 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 614' ' ' ILE . . . . . 0.764 HG22 ' O ' ' A' ' 614' ' ' ILE . 0.0 OUTLIER -146.42 83.28 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.579 1.174 . . . . 1.0 109.299 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 615' ' ' LYS . . . . . 0.451 ' HB3' ' O ' ' A' ' 614' ' ' ILE . 1.7 ttpm? 81.28 -31.97 0.11 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.503 1.127 . . . . 1.0 109.305 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 616' ' ' GLU . . . . . 0.448 ' H ' ' C ' ' A' ' 614' ' ' ILE . 2.2 tt0 -156.56 -48.55 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.422 1.076 . . . . 1.0 110.309 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 617' ' ' ARG . . . . . 0.588 ' CZ ' ' OD1' ' A' ' 637' ' ' ASP . 1.9 ttt180 -157.74 137.81 12.5 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.437 1.086 . . . . 1.0 110.307 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 618' ' ' LYS . . . . . 0.808 ' HG3' HG23 ' A' ' 612' ' ' THR . 8.6 tptt -115.67 -96.5 0.46 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.59 1.181 . . . . 1.0 109.237 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 619' ' ' CYS . . . . . 0.499 ' O ' ' CG ' ' A' ' 611' ' ' GLU . 1.7 m -158.2 -174.87 5.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.559 1.162 . . . . 1.0 108.264 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 620' ' ' LEU . . . . . 1.048 HD13 ' CD1' ' A' ' 640' ' ' LEU . 0.2 OUTLIER -95.91 153.37 17.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.396 1.06 . . . . 1.0 109.298 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 621' ' ' LEU . . . . . 0.788 HD23 ' HG3' ' A' ' 610' ' ' GLU . 1.1 tp -112.36 157.54 20.88 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.543 1.152 . . . . 1.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 622' ' ' LEU . . . . . 0.917 ' CD1' HD11 ' A' ' 632' ' ' LEU . 9.0 mt -154.87 86.66 1.12 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 1.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 623' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.43 135.21 33.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.552 1.157 . . . . 1.0 109.328 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 624' ' ' ILE . . . . . 0.986 HG22 ' H ' ' A' ' 626' ' ' GLY . 36.3 mt -104.42 142.21 18.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.445 1.091 . . . . 1.0 109.262 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 625' ' ' ARG . . . . . 0.468 ' CB ' ' CG ' ' A' ' 607' ' ' GLN . 0.4 OUTLIER -78.8 3.55 16.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 1.0 110.349 179.892 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 626' ' ' GLY . . . . . 0.986 ' H ' HG22 ' A' ' 624' ' ' ILE . . . -88.03 -25.25 32.24 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.501 1.126 . . . . 1.0 111.018 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 121.26 40.66 0.54 Allowed Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.987 -0.845 . . . . 1.0 110.987 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 628' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.53 172.5 13.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 0.789 . . . . 1.0 109.268 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 5.2 mp0 -144.73 152.69 40.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 1.0 110.311 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 630' ' ' PHE . . . . . 0.657 ' CD1' ' HE2' ' A' ' 567' ' ' LYS . 0.8 OUTLIER -136.37 159.75 40.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 1.0 110.961 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 631' ' ' ILE . . . . . 0.534 ' O ' HG22 ' A' ' 631' ' ' ILE . 0.2 OUTLIER -144.68 108.29 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.613 1.195 . . . . 1.0 109.295 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 632' ' ' LEU . . . . . 0.917 HD11 ' CD1' ' A' ' 622' ' ' LEU . 0.6 OUTLIER -84.07 151.76 24.76 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.389 1.055 . . . . 1.0 109.296 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 633' ' ' GLN . . . . . 0.497 ' HB2' ' SG ' ' A' ' 619' ' ' CYS . 52.2 tt0 -148.86 100.62 3.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.098 . . . . 1.0 110.339 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 634' ' ' CYS . . . . . . . . . . . . . 5.5 t -115.39 159.86 20.58 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.545 1.153 . . . . 1.0 108.317 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 635' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -82.94 -16.35 47.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 1.0 109.362 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 636' ' ' SER . . . . . 0.602 ' HB2' ' HB2' ' A' ' 639' ' ' GLU . 13.4 m -92.95 150.81 20.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 1.0 110.011 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 637' ' ' ASP . . . . . 0.677 ' N ' ' CD ' ' A' ' 638' ' ' PRO . 0.4 OUTLIER -90.13 -41.96 0.41 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 1.0 109.275 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 638' ' ' PRO . . . . . 0.677 ' CD ' ' N ' ' A' ' 637' ' ' ASP . 18.5 Cg_endo -75.02 -54.91 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.541 1.811 . . . . 1.0 110.99 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 639' ' ' GLU . . . . . 0.602 ' HB2' ' HB2' ' A' ' 636' ' ' SER . 74.0 mm-40 -24.8 -79.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 1.0 110.297 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 640' ' ' LEU . . . . . 1.048 ' CD1' HD13 ' A' ' 620' ' ' LEU . 0.1 OUTLIER -50.15 -47.82 54.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.405 1.066 . . . . 1.0 109.278 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 641' ' ' VAL . . . . . 0.617 HG12 ' N ' ' A' ' 642' ' ' GLN . 0.8 OUTLIER -44.94 -57.88 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 1.0 109.337 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 642' ' ' GLN . . . . . 0.617 ' N ' HG12 ' A' ' 641' ' ' VAL . 0.8 OUTLIER -63.07 -38.94 93.17 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.53 1.144 . . . . 1.0 110.324 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 643' ' ' TRP . . . . . 0.891 ' C ' HD12 ' A' ' 647' ' ' LEU . 14.8 m95 -55.23 -47.16 75.78 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 107.948 -1.131 . . . . 1.0 107.948 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 644' ' ' LYS . . . . . 0.942 ' CD ' HG22 ' A' ' 609' ' ' VAL . 1.8 ttpt -54.69 -56.52 18.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 1.0 109.302 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 645' ' ' LYS . . . . . 0.405 ' HD3' ' C ' ' A' ' 645' ' ' LYS . 0.1 OUTLIER -41.02 -52.07 3.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 1.0 109.242 -179.91 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 646' ' ' GLU . . . . . 0.637 ' CG ' HG22 ' A' ' 560' ' ' ILE . 0.2 OUTLIER -71.02 -31.45 67.94 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.513 1.133 . . . . 1.0 110.256 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 647' ' ' LEU . . . . . 0.891 HD12 ' C ' ' A' ' 643' ' ' TRP . 0.5 OUTLIER -70.77 -61.86 1.61 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.548 1.155 . . . . 1.0 109.249 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 648' ' ' ARG . . . . . 0.533 ' N ' ' O ' ' A' ' 644' ' ' LYS . 7.4 ttp180 -39.0 -54.28 1.69 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.452 1.095 . . . . 1.0 110.341 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 649' ' ' ASP . . . . . 0.42 ' O ' ' N ' ' A' ' 653' ' ' GLU . 0.2 OUTLIER -61.86 -51.44 68.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 1.0 109.319 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 650' ' ' ALA . . . . . 0.505 ' O ' ' SD ' ' A' ' 603' ' ' MET . . . -43.96 -51.05 7.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.145 . . . . 1.0 109.339 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 651' ' ' TYR . . . . . 1.206 ' CD2' HG21 ' A' ' 606' ' ' ILE . 12.4 m-30 -71.01 -41.52 70.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 1.0 110.953 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 652' ' ' ARG . . . . . 0.465 ' O ' ' N ' ' A' ' 655' ' ' GLN . 2.5 mmt180 -60.62 -63.34 1.33 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.411 1.069 . . . . 1.0 110.295 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 653' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 649' ' ' ASP . 1.5 mp0 -40.3 -53.11 2.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 1.0 110.361 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 654' ' ' ALA . . . . . 0.883 ' HB2' ' SD ' ' A' ' 603' ' ' MET . . . -48.48 -42.35 32.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 1.0 109.222 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 655' ' ' GLN . . . . . 0.465 ' N ' ' O ' ' A' ' 652' ' ' ARG . 27.1 mt-30 . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.489 1.118 . . . . 1.0 110.281 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 N-CA-C 111.024 -0.83 . . . . 1.0 111.024 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 553' ' ' SER . . . . . . . . . . . . . 1.9 t 48.45 78.62 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 0.773 . . . . 1.0 110.033 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 554' ' ' HIS . . . . . 0.562 ' CD2' ' HG2' ' A' ' 555' ' ' MET . 16.3 p-80 -146.82 -60.93 0.29 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 1.0 109.587 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 555' ' ' MET . . . . . 0.562 ' HG2' ' CD2' ' A' ' 554' ' ' HIS . 2.0 ptt? -159.98 129.86 5.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 1.0 110.98 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . -128.32 -162.1 10.92 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.489 1.118 . . . . 1.0 110.966 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 557' ' ' LYS . . . . . 0.576 ' O ' ' HG3' ' A' ' 585' ' ' PRO . 38.3 tttt -156.83 103.42 2.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 0.772 . . . . 1.0 109.289 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 558' ' ' ASP . . . . . 0.581 ' O ' ' HD3' ' A' ' 585' ' ' PRO . 0.8 OUTLIER -77.94 -107.68 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 1.0 109.325 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 559' ' ' CYS . . . . . . . . . . . . . 43.2 t -70.61 105.72 3.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 1.0 108.328 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 560' ' ' ILE . . . . . 0.76 HG22 ' HG2' ' A' ' 646' ' ' GLU . 3.6 mt -79.26 -60.87 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 1.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 561' ' ' MET . . . . . 0.473 ' SD ' ' CD1' ' A' ' 643' ' ' TRP . 0.0 OUTLIER -134.94 132.6 38.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 1.0 111.003 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 562' ' ' HIS . . . . . . . . . . . . . 5.3 p-80 -142.72 156.81 45.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 1.0 109.564 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 563' ' ' GLY . . . . . 0.478 ' O ' ' CD1' ' A' ' 580' ' ' TYR . . . 148.42 -157.41 27.3 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.537 1.148 . . . . 1.0 110.985 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 564' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -88.9 127.71 35.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.519 0.776 . . . . 1.0 110.982 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 565' ' ' MET . . . . . 0.556 ' CE ' ' CE3' ' A' ' 643' ' ' TRP . 0.0 OUTLIER -142.9 123.62 14.16 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 1.0 111.02 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 566' ' ' SER . . . . . 0.48 ' OG ' ' O ' ' A' ' 633' ' ' GLN . 0.4 OUTLIER -93.02 127.41 38.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 1.0 109.997 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 567' ' ' LYS . . . . . 0.538 ' O ' ' CB ' ' A' ' 568' ' ' MET . 0.0 OUTLIER -156.31 137.19 13.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.438 1.086 . . . . 1.0 109.322 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 568' ' ' MET . . . . . 0.538 ' CB ' ' O ' ' A' ' 567' ' ' LYS . 0.1 OUTLIER 157.57 -179.97 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 1.0 110.963 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 569' ' ' GLY . . . . . 0.469 ' O ' ' O ' ' A' ' 568' ' ' MET . . . 53.52 162.77 0.01 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.48 1.112 . . . . 1.0 111.017 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 570' ' ' ASN . . . . . 0.636 ' CB ' ' HD3' ' A' ' 571' ' ' PRO . 0.3 OUTLIER -168.88 -59.46 0.01 OUTLIER Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.504 0.767 . . . . 1.0 109.31 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 571' ' ' PRO . . . . . 0.636 ' HD3' ' CB ' ' A' ' 570' ' ' ASN . 18.3 Cg_endo -74.97 -24.19 13.13 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.52 1.8 . . . . 1.0 110.987 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 572' ' ' PHE . . . . . 0.483 ' CE2' ' HG2' ' A' ' 571' ' ' PRO . 1.3 m-85 -128.96 81.28 2.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 1.0 110.98 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 573' ' ' LEU . . . . . 0.704 HD11 HG21 ' A' ' 631' ' ' ILE . 2.5 tp -86.15 82.84 7.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 1.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 574' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -123.01 -38.04 2.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 1.0 110.392 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 23.8 pt20 -144.38 118.74 9.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 1.0 110.275 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 576' ' ' TRP . . . . . 0.54 ' CD2' ' OE1' ' A' ' 633' ' ' GLN . 16.5 m-90 -86.96 171.26 10.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 1.0 108.004 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -137.82 131.08 30.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.11 . . . . 1.0 110.317 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 578' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.11 124.28 34.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 1.0 110.302 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 579' ' ' ARG . . . . . 0.537 ' O ' ' O ' ' A' ' 565' ' ' MET . 7.8 mtt180 -137.35 156.43 48.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 1.0 110.313 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 580' ' ' TYR . . . . . 0.478 ' CD1' ' O ' ' A' ' 563' ' ' GLY . 0.4 OUTLIER -91.52 124.39 35.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 1.0 111.01 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 581' ' ' PHE . . . . . 0.545 ' CE1' ' HB2' ' A' ' 590' ' ' TRP . 68.1 m-85 -122.77 174.88 6.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 1.0 110.991 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 582' ' ' TYR . . . . . 0.57 ' O ' ' HA ' ' A' ' 588' ' ' LEU . 88.9 m-85 -149.4 113.97 5.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 1.0 111.009 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 583' ' ' LEU . . . . . 0.82 HD12 ' HG ' ' A' ' 647' ' ' LEU . 0.7 OUTLIER -87.75 111.69 21.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 1.0 109.331 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 584' ' ' PHE . . . . . 0.601 ' CD2' ' HD2' ' A' ' 585' ' ' PRO . 0.2 OUTLIER -99.13 -177.14 0.55 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 1.0 110.994 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 585' ' ' PRO . . . . . 0.601 ' HD2' ' CD2' ' A' ' 584' ' ' PHE . 18.3 Cg_endo -74.99 -6.08 17.61 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.502 1.791 . . . . 1.0 111.005 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 586' ' ' ASN . . . . . 0.619 ' HA ' ' CG ' ' A' ' 603' ' ' MET . 45.3 m-80 -165.58 -38.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 1.0 109.278 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 587' ' ' ARG . . . . . 0.553 ' HA ' ' HA ' ' A' ' 602' ' ' THR . 0.1 OUTLIER -90.18 -168.9 2.25 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.473 1.108 . . . . 1.0 110.286 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 588' ' ' LEU . . . . . 0.57 ' HA ' ' O ' ' A' ' 582' ' ' TYR . 0.1 OUTLIER 177.72 119.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 1.0 109.292 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 589' ' ' GLU . . . . . 0.483 ' OE1' ' CD2' ' A' ' 600' ' ' LEU . 0.3 OUTLIER -95.26 142.84 27.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 1.0 110.302 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 590' ' ' TRP . . . . . 0.545 ' HB2' ' CE1' ' A' ' 581' ' ' PHE . 11.4 p-90 -134.45 106.48 7.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.14 . . . . 1.0 108.049 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -136.15 -178.86 5.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 1.0 110.309 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . 153.56 -129.69 2.75 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.495 1.122 . . . . 1.0 110.982 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -83.65 171.29 13.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 0.789 . . . . 1.0 110.283 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . 83.19 -131.35 10.31 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.531 1.145 . . . . 1.0 110.988 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 595' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -178.3 164.32 1.73 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 0.754 . . . . 1.0 110.323 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . -175.44 156.16 1.8 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 1.0 109.28 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 597' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -31.3 6.32 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.466 1.772 . . . . 1.0 111.005 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 598' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -155.18 153.24 30.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 1.0 110.294 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 599' ' ' SER . . . . . 0.449 ' O ' ' CD1' ' A' ' 590' ' ' TRP . 60.1 p -155.08 51.84 0.61 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 1.0 109.982 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 600' ' ' LEU . . . . . 0.579 HD13 ' N ' ' A' ' 601' ' ' LEU . 2.9 tm? -116.37 130.4 56.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 1.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 601' ' ' LEU . . . . . 0.579 ' N ' HD13 ' A' ' 600' ' ' LEU . 0.3 OUTLIER -139.9 176.54 8.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 1.0 109.336 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 602' ' ' THR . . . . . 0.553 ' HA ' ' HA ' ' A' ' 587' ' ' ARG . 0.0 OUTLIER -123.74 -159.68 0.87 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 1.0 110.365 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 603' ' ' MET . . . . . 0.619 ' CG ' ' HA ' ' A' ' 586' ' ' ASN . 0.1 OUTLIER -131.74 38.5 3.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 1.0 111.008 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 604' ' ' GLU . . . . . 0.461 ' HB3' ' HB1' ' A' ' 654' ' ' ALA . 8.2 pt-20 -125.43 59.0 1.27 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 1.0 110.285 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 605' ' ' GLU . . . . . 0.545 ' O ' ' C ' ' A' ' 606' ' ' ILE . 2.6 pt-20 -158.05 -53.9 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 1.0 110.301 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 606' ' ' ILE . . . . . 1.194 HG21 ' CD2' ' A' ' 651' ' ' TYR . 0.9 OUTLIER -29.46 136.98 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 1.0 109.285 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 607' ' ' GLN . . . . . 0.563 ' HG2' ' CB ' ' A' ' 625' ' ' ARG . 0.0 OUTLIER -89.16 -39.95 13.23 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.496 1.123 . . . . 1.0 110.297 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 3.1 m -173.72 134.29 0.48 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 1.0 110.022 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 609' ' ' VAL . . . . . 1.048 HG22 ' CD ' ' A' ' 644' ' ' LYS . 3.6 p -107.11 135.36 45.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 1.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 610' ' ' GLU . . . . . 0.903 ' HG3' HD23 ' A' ' 621' ' ' LEU . 0.4 OUTLIER -161.31 169.22 22.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 1.0 110.292 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 611' ' ' GLU . . . . . 0.671 ' HA ' ' HA ' ' A' ' 620' ' ' LEU . 22.4 tt0 -120.88 146.87 46.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 1.0 110.257 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 612' ' ' THR . . . . . 0.638 HG23 ' HG3' ' A' ' 618' ' ' LYS . 1.2 t -107.32 161.71 14.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 1.0 110.384 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 613' ' ' GLN . . . . . 0.441 ' HA ' ' N ' ' A' ' 618' ' ' LYS . 12.6 mp0 -130.07 168.25 17.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 1.0 110.234 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 614' ' ' ILE . . . . . 0.75 HG22 ' O ' ' A' ' 614' ' ' ILE . 0.1 OUTLIER -149.31 86.38 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 1.0 109.257 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 615' ' ' LYS . . . . . 0.455 ' HB3' ' O ' ' A' ' 614' ' ' ILE . 15.3 tttt 82.13 -32.98 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 1.0 109.306 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 616' ' ' GLU . . . . . 0.441 ' H ' ' C ' ' A' ' 614' ' ' ILE . 0.9 OUTLIER -156.38 -50.42 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 1.0 110.306 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 3.9 ttt-85 -155.86 142.21 18.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 1.0 110.294 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 618' ' ' LYS . . . . . 0.638 ' HG3' HG23 ' A' ' 612' ' ' THR . 9.3 tptp -124.29 -98.55 0.42 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.474 1.109 . . . . 1.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 619' ' ' CYS . . . . . 0.449 ' HB3' ' O ' ' A' ' 632' ' ' LEU . 0.8 OUTLIER -155.96 175.81 13.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 1.0 108.291 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 620' ' ' LEU . . . . . 1.086 ' CD1' HD12 ' A' ' 640' ' ' LEU . 0.7 OUTLIER -89.54 167.21 13.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.15 . . . . 1.0 109.325 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 621' ' ' LEU . . . . . 0.903 HD23 ' HG3' ' A' ' 610' ' ' GLU . 0.3 OUTLIER -132.61 158.9 41.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 1.0 109.269 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 622' ' ' LEU . . . . . 0.871 HD21 ' CE2' ' A' ' 651' ' ' TYR . 0.3 OUTLIER -154.82 89.67 1.25 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 1.0 109.315 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 623' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.47 137.67 32.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 1.0 109.272 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 624' ' ' ILE . . . . . 0.974 HG22 ' H ' ' A' ' 626' ' ' GLY . 90.9 mt -102.55 143.95 14.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 1.0 109.305 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 625' ' ' ARG . . . . . 0.563 ' CB ' ' HG2' ' A' ' 607' ' ' GLN . 21.5 ptt180 -78.87 3.27 17.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 1.0 110.3 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 626' ' ' GLY . . . . . 0.974 ' H ' HG22 ' A' ' 624' ' ' ILE . . . -84.41 -25.64 42.5 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.496 1.123 . . . . 1.0 111.048 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 125.05 -1.86 8.4 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 110.973 -0.851 . . . . 1.0 110.973 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 628' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.91 163.54 12.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 0.77 . . . . 1.0 109.259 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -141.81 152.96 44.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 1.0 110.273 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 630' ' ' PHE . . . . . 0.458 ' HB3' ' CG ' ' A' ' 567' ' ' LYS . 20.6 m-85 -141.44 146.43 36.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 1.0 111.024 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 631' ' ' ILE . . . . . 0.704 HG21 HD11 ' A' ' 573' ' ' LEU . 0.2 OUTLIER -105.37 112.53 39.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 1.0 109.321 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 632' ' ' LEU . . . . . 0.56 ' HG ' HD12 ' A' ' 622' ' ' LEU . 0.2 OUTLIER -83.01 137.54 34.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 1.0 109.295 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 633' ' ' GLN . . . . . 0.54 ' OE1' ' CD2' ' A' ' 576' ' ' TRP . 41.2 tt0 -157.13 136.91 12.38 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.502 1.126 . . . . 1.0 110.281 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 634' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -157.49 161.59 38.87 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 1.0 108.275 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 635' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.17 -20.45 37.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.095 . . . . 1.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 636' ' ' SER . . . . . 0.526 ' CB ' ' CG ' ' A' ' 639' ' ' GLU . 4.5 m -88.12 138.09 31.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 1.0 110.03 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 637' ' ' ASP . . . . . 0.679 ' N ' ' CD ' ' A' ' 638' ' ' PRO . 1.1 m-20 -82.87 -41.66 0.87 Allowed Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 1.0 109.339 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 638' ' ' PRO . . . . . 0.679 ' CD ' ' N ' ' A' ' 637' ' ' ASP . 18.2 Cg_endo -75.03 -54.37 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.511 1.795 . . . . 1.0 110.955 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 639' ' ' GLU . . . . . 0.538 ' C ' ' O ' ' A' ' 638' ' ' PRO . 20.6 mm-40 -26.95 -79.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 1.0 110.316 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 640' ' ' LEU . . . . . 1.086 HD12 ' CD1' ' A' ' 620' ' ' LEU . 0.2 OUTLIER -48.82 -46.1 41.42 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.475 1.11 . . . . 1.0 109.28 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 641' ' ' VAL . . . . . 0.624 HG12 ' N ' ' A' ' 642' ' ' GLN . 0.8 OUTLIER -46.69 -58.03 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 1.0 109.284 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 642' ' ' GLN . . . . . 0.624 ' N ' HG12 ' A' ' 641' ' ' VAL . 0.0 OUTLIER -62.14 -41.58 98.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.132 . . . . 1.0 110.27 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 643' ' ' TRP . . . . . 0.56 ' CZ3' ' HB2' ' A' ' 583' ' ' LEU . 20.0 m95 -53.35 -47.93 68.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 1.0 108.009 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 644' ' ' LYS . . . . . 1.048 ' CD ' HG22 ' A' ' 609' ' ' VAL . 0.0 OUTLIER -57.49 -62.55 1.7 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 1.0 109.28 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 645' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 644' ' ' LYS . 0.1 OUTLIER -37.44 -57.58 0.91 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.439 1.087 . . . . 1.0 109.34 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 646' ' ' GLU . . . . . 0.76 ' HG2' HG22 ' A' ' 560' ' ' ILE . 2.4 mp0 -68.84 -32.41 72.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 1.0 110.297 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 647' ' ' LEU . . . . . 0.923 HD22 ' OH ' ' A' ' 651' ' ' TYR . 10.9 mt -67.8 -62.09 1.57 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.437 1.086 . . . . 1.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 648' ' ' ARG . . . . . 0.577 ' N ' ' O ' ' A' ' 644' ' ' LYS . 9.1 ttp-105 -38.24 -55.47 1.32 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 1.0 110.27 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 649' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -59.09 -46.09 89.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 1.0 109.312 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 650' ' ' ALA . . . . . 0.548 ' O ' ' SD ' ' A' ' 603' ' ' MET . . . -48.34 -51.22 27.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 1.0 109.283 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 651' ' ' TYR . . . . . 1.194 ' CD2' HG21 ' A' ' 606' ' ' ILE . 2.1 m-30 -72.29 -38.83 68.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 1.0 110.994 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 652' ' ' ARG . . . . . 0.508 ' O ' ' HB2' ' A' ' 655' ' ' GLN . 0.0 OUTLIER -62.29 -64.55 0.89 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 1.0 110.282 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 653' ' ' GLU . . . . . 0.588 ' O ' HD13 ' A' ' 657' ' ' LEU . 1.5 mt-10 -44.01 -53.96 5.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 1.0 110.307 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 654' ' ' ALA . . . . . 0.58 ' HB2' ' HE3' ' A' ' 603' ' ' MET . . . -47.23 -38.6 12.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 1.0 109.288 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 655' ' ' GLN . . . . . 0.614 ' HA ' HG12 ' A' ' 658' ' ' VAL . 60.9 mt-30 -69.54 -68.32 0.42 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 1.0 110.261 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 656' ' ' GLN . . . . . 0.536 ' CG ' ' HA ' ' A' ' 653' ' ' GLU . 3.5 pt20 -51.02 -21.44 1.8 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 1.0 110.309 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 657' ' ' LEU . . . . . 0.588 HD13 ' O ' ' A' ' 653' ' ' GLU . 8.7 mp -86.55 -27.41 23.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 1.0 109.324 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 658' ' ' VAL . . . . . 0.614 HG12 ' HA ' ' A' ' 655' ' ' GLN . 3.2 p -108.02 13.65 8.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 1.0 109.261 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 659' ' ' GLN . . . . . 0.461 ' N ' ' O ' ' A' ' 655' ' ' GLN . 0.0 OUTLIER -64.22 -59.13 4.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 1.0 110.318 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 660' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.07 65.85 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 1.0 110.308 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 661' ' ' VAL . . . . . 0.421 ' O ' HG13 ' A' ' 661' ' ' VAL . 7.5 p -111.65 109.75 55.48 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.094 . . . . 1.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 662' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 127.18 10.51 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.519 1.799 . . . . 1.0 111.026 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -87.77 70.53 9.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.145 . . . . 1.0 109.313 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 664' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 61.64 85.14 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 1.0 110.999 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 665' ' ' LYS . . . . . 0.421 ' O ' ' CB ' ' A' ' 666' ' ' ASN . 3.7 tttt -151.16 -62.66 0.18 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 1.0 109.267 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 666' ' ' ASN . . . . . 0.421 ' CB ' ' O ' ' A' ' 665' ' ' LYS . 8.0 t-20 75.95 -58.11 0.55 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 1.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 20.5 tttm 48.07 91.42 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 1.0 109.324 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 668' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 58.58 4.91 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.439 1.757 . . . . 1.0 111.02 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 63.04 153.47 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 1.0 110.322 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 5.4 t . . . . . 0 C--O 1.25 1.094 0 CA-C-O 116.976 -1.487 . . . . 1.0 110.023 179.979 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.065 0 N-CA-C 110.993 -0.843 . . . . 1.0 110.993 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 553' ' ' SER . . . . . . . . . . . . . 4.7 m -149.4 158.44 44.18 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.504 0.767 . . . . 1.0 110.019 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 554' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -101.76 172.95 6.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 1.0 109.548 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 555' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -131.14 164.23 25.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 1.0 111.006 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . -121.24 -143.64 6.73 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.547 1.154 . . . . 1.0 110.992 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 31.1 tttt -130.61 -106.46 0.28 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.499 0.764 . . . . 1.0 109.256 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 558' ' ' ASP . . . . . 0.736 ' O ' ' CE2' ' A' ' 584' ' ' PHE . 25.0 t0 -152.49 22.81 0.62 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 1.0 109.346 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 559' ' ' CYS . . . . . . . . . . . . . 2.9 t -170.3 128.48 0.85 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 1.0 108.279 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 560' ' ' ILE . . . . . 0.83 HD11 ' HA ' ' A' ' 585' ' ' PRO . 11.1 mt -101.44 -57.56 4.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 1.0 109.319 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 561' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -147.48 150.85 35.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 1.0 111.019 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 562' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -150.42 151.77 33.3 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.444 1.09 . . . . 1.0 109.638 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 563' ' ' GLY . . . . . 0.401 ' N ' ' HZ2' ' A' ' 643' ' ' TRP . . . 166.06 -163.5 36.84 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.534 1.146 . . . . 1.0 111.035 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 564' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -94.16 126.61 39.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 0.734 . . . . 1.0 110.991 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 565' ' ' MET . . . . . 0.734 ' SD ' HD22 ' A' ' 640' ' ' LEU . 20.8 mtm -144.44 148.64 34.85 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.476 1.11 . . . . 1.0 110.976 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 566' ' ' SER . . . . . 0.486 ' O ' ' N ' ' A' ' 633' ' ' GLN . 0.1 OUTLIER -112.51 133.1 54.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 1.0 109.959 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 567' ' ' LYS . . . . . 0.616 ' HD3' ' CD1' ' A' ' 630' ' ' PHE . 2.0 tmmt? -160.34 146.81 15.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 1.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 568' ' ' MET . . . . . 0.416 ' N ' ' HG2' ' A' ' 567' ' ' LYS . 0.1 OUTLIER -162.17 171.94 16.6 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.432 1.083 . . . . 1.0 110.982 179.928 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 569' ' ' GLY . . . . . 0.411 ' C ' ' CG ' ' A' ' 570' ' ' ASN . . . -169.09 125.01 1.22 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.469 1.106 . . . . 1.0 110.979 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 570' ' ' ASN . . . . . 0.572 ' CB ' ' CD ' ' A' ' 571' ' ' PRO . 0.0 OUTLIER -166.24 -178.45 0.71 Allowed Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.419 0.717 . . . . 1.0 109.263 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 571' ' ' PRO . . . . . 0.572 ' CD ' ' CB ' ' A' ' 570' ' ' ASN . 18.2 Cg_endo -75.1 15.13 0.78 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.487 1.783 . . . . 1.0 110.97 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 572' ' ' PHE . . . . . 0.543 ' CE2' ' HG2' ' A' ' 571' ' ' PRO . 22.6 m-85 -142.4 87.28 2.0 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.542 1.151 . . . . 1.0 110.938 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -85.25 83.75 7.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.423 1.077 . . . . 1.0 109.355 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 574' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -158.21 -16.5 0.08 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.455 1.097 . . . . 1.0 110.454 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 575' ' ' GLN . . . . . 0.404 ' O ' ' CD1' ' A' ' 576' ' ' TRP . 5.6 pt20 -107.33 153.64 22.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.085 . . . . 1.0 110.308 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 576' ' ' TRP . . . . . 0.415 ' HA ' ' SD ' ' A' ' 568' ' ' MET . 1.3 m-90 -139.69 139.19 36.54 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.916 -1.142 . . . . 1.0 107.916 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -127.46 136.11 51.34 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.556 1.16 . . . . 1.0 110.265 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 578' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -96.37 118.92 33.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 1.0 110.292 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 579' ' ' ARG . . . . . 0.579 ' O ' ' O ' ' A' ' 565' ' ' MET . 1.3 mtt180 -137.84 168.87 18.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 1.0 110.269 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 580' ' ' TYR . . . . . 0.624 ' CD1' ' CE1' ' A' ' 582' ' ' TYR . 0.8 OUTLIER -89.34 127.69 35.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.4 1.062 . . . . 1.0 110.989 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 581' ' ' PHE . . . . . 0.559 ' CE2' ' HB3' ' A' ' 590' ' ' TRP . 2.7 m-85 -117.82 169.96 9.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 1.0 111.067 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 582' ' ' TYR . . . . . 0.624 ' CE1' ' CD1' ' A' ' 580' ' ' TYR . 39.8 m-85 -153.24 109.8 3.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 1.0 111.005 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 583' ' ' LEU . . . . . 0.93 HD12 ' HG ' ' A' ' 647' ' ' LEU . 1.0 OUTLIER -88.86 115.81 26.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 1.0 109.285 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 584' ' ' PHE . . . . . 0.736 ' CE2' ' O ' ' A' ' 558' ' ' ASP . 0.3 OUTLIER -104.88 179.05 1.0 Allowed Pre-proline 0 C--N 1.324 -0.534 0 O-C-N 124.584 1.178 . . . . 1.0 110.931 -179.955 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 585' ' ' PRO . . . . . 0.83 ' HA ' HD11 ' A' ' 560' ' ' ILE . 18.6 Cg_endo -74.98 -2.03 12.0 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.42 1.748 . . . . 1.0 110.935 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 586' ' ' ASN . . . . . 0.812 ' O ' ' HG3' ' A' ' 603' ' ' MET . 1.7 m-80 -164.74 -41.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.421 1.075 . . . . 1.0 109.289 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 587' ' ' ARG . . . . . 0.58 ' HA ' ' HA ' ' A' ' 602' ' ' THR . 0.1 OUTLIER -91.36 -173.14 3.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 1.09 . . . . 1.0 110.327 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 588' ' ' LEU . . . . . 0.619 ' HA ' ' O ' ' A' ' 582' ' ' TYR . 0.1 OUTLIER 178.97 116.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.4 1.062 . . . . 1.0 109.311 -179.924 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 589' ' ' GLU . . . . . 0.442 ' N ' HD12 ' A' ' 588' ' ' LEU . 5.3 tt0 -94.54 142.2 27.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 1.0 110.246 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 590' ' ' TRP . . . . . 0.559 ' HB3' ' CE2' ' A' ' 581' ' ' PHE . 0.3 OUTLIER -141.68 95.72 2.86 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 107.985 -1.117 . . . . 1.0 107.985 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 591' ' ' ARG . . . . . 0.465 ' NH1' ' O ' ' A' ' 597' ' ' PRO . 1.5 mmt180 -139.04 -173.7 3.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.438 1.086 . . . . 1.0 110.348 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . -175.22 -175.09 42.37 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.409 1.068 . . . . 1.0 110.995 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -66.73 176.9 1.79 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 0.777 . . . . 1.0 110.348 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . 92.85 -103.19 3.02 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.428 1.08 . . . . 1.0 111.01 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 595' ' ' GLU . . . . . 0.467 ' O ' ' HB2' ' A' ' 596' ' ' ALA . 2.7 tt0 -175.21 145.99 0.81 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.466 0.744 . . . . 1.0 110.301 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 596' ' ' ALA . . . . . 0.467 ' HB2' ' O ' ' A' ' 595' ' ' GLU . . . 177.33 160.42 0.53 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.416 1.073 . . . . 1.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 597' ' ' PRO . . . . . 0.465 ' O ' ' NH1' ' A' ' 591' ' ' ARG . 18.3 Cg_endo -74.98 -163.55 0.19 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.471 1.774 . . . . 1.0 110.981 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 598' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.57 120.7 26.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 1.0 110.335 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 599' ' ' SER . . . . . 0.467 ' HB2' ' CE2' ' A' ' 590' ' ' TRP . 74.5 p -126.77 89.43 2.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 1.0 110.048 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -138.99 107.31 5.79 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.412 1.07 . . . . 1.0 109.352 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 601' ' ' LEU . . . . . 0.796 HD23 ' OE2' ' A' ' 605' ' ' GLU . 1.1 tp -108.54 -174.92 2.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 1.0 109.266 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 602' ' ' THR . . . . . 0.8 HG22 ' O ' ' A' ' 586' ' ' ASN . 0.1 OUTLIER -114.29 -162.72 0.83 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 1.0 110.398 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 603' ' ' MET . . . . . 0.962 ' SD ' ' HB2' ' A' ' 654' ' ' ALA . 0.0 OUTLIER -123.77 39.16 4.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 1.0 111.045 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 604' ' ' GLU . . . . . 0.588 ' HB3' ' HB1' ' A' ' 654' ' ' ALA . 13.6 pt-20 -125.89 58.23 1.34 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.45 1.094 . . . . 1.0 110.231 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 605' ' ' GLU . . . . . 0.796 ' OE2' HD23 ' A' ' 601' ' ' LEU . 4.0 pt-20 -158.7 -53.55 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 1.0 110.254 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 606' ' ' ILE . . . . . 1.232 HG21 ' CD2' ' A' ' 651' ' ' TYR . 0.9 OUTLIER -32.43 139.41 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.437 1.086 . . . . 1.0 109.349 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 607' ' ' GLN . . . . . 0.585 ' HG3' ' HA ' ' A' ' 625' ' ' ARG . 0.6 OUTLIER -92.79 -37.67 12.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 1.0 110.335 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 608' ' ' SER . . . . . 0.422 ' HB2' ' HD3' ' A' ' 623' ' ' LYS . 3.4 m -174.05 135.24 0.47 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.383 1.052 . . . . 1.0 110.019 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 609' ' ' VAL . . . . . 0.941 HG22 ' CD ' ' A' ' 644' ' ' LYS . 3.2 p -109.34 138.98 34.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.539 1.149 . . . . 1.0 109.261 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 610' ' ' GLU . . . . . 0.827 ' HG3' HD23 ' A' ' 621' ' ' LEU . 0.1 OUTLIER -158.71 -163.71 1.3 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.631 1.207 . . . . 1.0 110.347 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 611' ' ' GLU . . . . . 0.561 ' HA ' ' HA ' ' A' ' 620' ' ' LEU . 21.2 tt0 -140.54 147.33 39.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.568 1.168 . . . . 1.0 110.324 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 612' ' ' THR . . . . . 0.811 HG23 ' HG3' ' A' ' 618' ' ' LYS . 0.0 OUTLIER -111.65 163.71 13.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 1.0 110.431 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 613' ' ' GLN . . . . . 0.402 ' HA ' ' N ' ' A' ' 618' ' ' LYS . 7.8 mp0 -129.56 165.39 21.8 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.548 1.155 . . . . 1.0 110.344 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 614' ' ' ILE . . . . . 0.778 HG22 ' O ' ' A' ' 614' ' ' ILE . 0.1 OUTLIER -148.87 83.95 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.569 1.168 . . . . 1.0 109.279 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 615' ' ' LYS . . . . . 0.432 ' HB2' ' O ' ' A' ' 614' ' ' ILE . 0.1 OUTLIER 81.51 -32.92 0.1 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.512 1.132 . . . . 1.0 109.242 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 616' ' ' GLU . . . . . 0.448 ' H ' ' C ' ' A' ' 614' ' ' ILE . 3.0 tt0 -156.92 -47.95 0.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.581 1.176 . . . . 1.0 110.296 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 617' ' ' ARG . . . . . 0.524 ' CZ ' ' OD2' ' A' ' 637' ' ' ASP . 1.2 ttt180 -156.09 138.95 15.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.133 . . . . 1.0 110.215 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 618' ' ' LYS . . . . . 0.811 ' HG3' HG23 ' A' ' 612' ' ' THR . 7.5 tptt -119.2 -98.2 0.45 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.153 . . . . 1.0 109.267 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 619' ' ' CYS . . . . . 0.497 ' HB3' ' O ' ' A' ' 632' ' ' LEU . 39.4 m -156.6 -171.42 3.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.571 1.17 . . . . 1.0 108.286 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 620' ' ' LEU . . . . . 1.04 HD13 ' CD1' ' A' ' 640' ' ' LEU . 0.1 OUTLIER -96.66 147.35 23.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.595 1.184 . . . . 1.0 109.263 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 621' ' ' LEU . . . . . 0.827 HD23 ' HG3' ' A' ' 610' ' ' GLU . 7.1 tp -102.37 156.95 17.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 1.0 109.369 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 622' ' ' LEU . . . . . 0.907 HD12 HD11 ' A' ' 632' ' ' LEU . 0.7 OUTLIER -160.25 84.6 0.72 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.57 1.169 . . . . 1.0 109.365 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 623' ' ' LYS . . . . . 0.422 ' HD3' ' HB2' ' A' ' 608' ' ' SER . 0.0 OUTLIER -90.23 136.18 33.21 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.546 1.154 . . . . 1.0 109.272 -179.946 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 624' ' ' ILE . . . . . 0.889 HD13 HG13 ' A' ' 606' ' ' ILE . 1.7 mm -98.68 143.94 12.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.431 1.082 . . . . 1.0 109.266 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 625' ' ' ARG . . . . . 0.585 ' HA ' ' HG3' ' A' ' 607' ' ' GLN . 0.0 OUTLIER -78.51 3.46 15.93 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.432 1.082 . . . . 1.0 110.306 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 626' ' ' GLY . . . . . 0.849 ' H ' HG22 ' A' ' 624' ' ' ILE . . . -87.03 -29.81 21.97 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.526 1.141 . . . . 1.0 110.955 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 133.36 -6.52 4.98 Favored Glycine 0 CA--C 1.531 1.045 0 N-CA-C 111.029 -0.828 . . . . 1.0 111.029 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 628' ' ' LYS . . . . . . . . . . . . . 21.4 mtmt -98.67 167.15 10.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 0.753 . . . . 1.0 109.259 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -140.33 142.32 35.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 1.0 110.247 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 630' ' ' PHE . . . . . 0.616 ' CD1' ' HD3' ' A' ' 567' ' ' LYS . 0.5 OUTLIER -132.7 159.38 39.82 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.574 1.171 . . . . 1.0 111.001 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 631' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -137.87 125.05 28.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.382 1.051 . . . . 1.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 632' ' ' LEU . . . . . 0.907 HD11 HD12 ' A' ' 622' ' ' LEU . 0.4 OUTLIER -93.52 152.01 19.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 1.0 109.305 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 633' ' ' GLN . . . . . 0.486 ' N ' ' O ' ' A' ' 566' ' ' SER . 8.0 tp60 -155.34 114.92 3.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.098 . . . . 1.0 110.35 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 634' ' ' CYS . . . . . 0.596 ' HB2' HD23 ' A' ' 640' ' ' LEU . 0.2 OUTLIER -126.35 159.74 32.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.159 . . . . 1.0 108.328 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 635' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.77 -22.29 46.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 1.0 109.226 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 636' ' ' SER . . . . . 0.569 ' HB2' ' CG ' ' A' ' 639' ' ' GLU . 1.5 m -90.14 157.03 17.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 1.0 109.99 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 637' ' ' ASP . . . . . 0.693 ' N ' ' CD ' ' A' ' 638' ' ' PRO . 0.3 OUTLIER -91.77 -40.86 0.37 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 1.0 109.337 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 638' ' ' PRO . . . . . 0.693 ' CD ' ' N ' ' A' ' 637' ' ' ASP . 18.5 Cg_endo -74.99 -55.54 0.07 OUTLIER 'Trans proline' 0 C--N 1.358 1.07 0 O-C-N 124.485 1.781 . . . . 1.0 111.04 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 639' ' ' GLU . . . . . 0.584 ' C ' ' O ' ' A' ' 638' ' ' PRO . 13.8 mm-40 -23.05 -83.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 1.0 110.336 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 640' ' ' LEU . . . . . 1.04 ' CD1' HD13 ' A' ' 620' ' ' LEU . 0.2 OUTLIER -47.83 -46.72 31.22 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.537 1.148 . . . . 1.0 109.349 179.927 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 641' ' ' VAL . . . . . 0.61 HG12 ' N ' ' A' ' 642' ' ' GLN . 0.8 OUTLIER -46.23 -57.3 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 1.0 109.331 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 642' ' ' GLN . . . . . 0.61 ' N ' HG12 ' A' ' 641' ' ' VAL . 0.0 OUTLIER -63.68 -41.45 98.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 1.0 110.24 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 643' ' ' TRP . . . . . 0.533 ' CZ3' ' CB ' ' A' ' 583' ' ' LEU . 19.5 m95 -53.66 -46.2 70.51 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.567 1.167 . . . . 1.0 108.007 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 644' ' ' LYS . . . . . 0.941 ' CD ' HG22 ' A' ' 609' ' ' VAL . 0.1 OUTLIER -56.18 -59.08 5.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 1.0 109.291 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 645' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 644' ' ' LYS . 0.1 OUTLIER -38.9 -54.38 1.65 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 1.0 109.292 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 646' ' ' GLU . . . . . 0.617 ' HG2' HG22 ' A' ' 560' ' ' ILE . 0.2 OUTLIER -70.06 -35.11 74.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.588 1.18 . . . . 1.0 110.346 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 647' ' ' LEU . . . . . 0.93 ' HG ' HD12 ' A' ' 583' ' ' LEU . 5.4 mt -65.65 -60.39 2.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 1.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 648' ' ' ARG . . . . . 0.529 ' N ' ' O ' ' A' ' 644' ' ' LYS . 2.5 ttm180 -39.58 -51.91 2.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 1.0 110.291 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 649' ' ' ASP . . . . . 0.492 ' O ' ' N ' ' A' ' 653' ' ' GLU . 12.7 t0 -61.36 -42.07 98.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 1.0 109.352 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 650' ' ' ALA . . . . . 0.513 ' HB1' ' CB ' ' A' ' 603' ' ' MET . . . -53.28 -53.69 47.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 1.0 109.325 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 651' ' ' TYR . . . . . 1.232 ' CD2' HG21 ' A' ' 606' ' ' ILE . 5.9 m-30 -67.93 -29.38 68.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 1.0 110.972 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 652' ' ' ARG . . . . . 0.533 ' O ' ' HG2' ' A' ' 655' ' ' GLN . 0.0 OUTLIER -76.57 -70.73 0.43 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 1.0 110.273 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 653' ' ' GLU . . . . . 0.492 ' N ' ' O ' ' A' ' 649' ' ' ASP . 34.1 mt-10 -36.25 -33.17 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.424 1.077 . . . . 1.0 110.286 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 654' ' ' ALA . . . . . 0.962 ' HB2' ' SD ' ' A' ' 603' ' ' MET . . . -79.01 -51.04 10.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.087 . . . . 1.0 109.245 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 655' ' ' GLN . . . . . 0.533 ' HG2' ' O ' ' A' ' 652' ' ' ARG . 1.1 pt20 -49.2 -40.05 32.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.103 . . . . 1.0 110.185 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 656' ' ' GLN . . . . . 0.508 ' N ' ' HG3' ' A' ' 655' ' ' GLN . 1.0 OUTLIER -62.71 -16.17 56.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 1.0 110.295 -179.913 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 657' ' ' LEU . . . . . 0.504 ' CD1' ' HA ' ' A' ' 654' ' ' ALA . 5.3 mt -88.12 -34.88 17.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 1.0 109.239 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 658' ' ' VAL . . . . . 0.536 HG13 ' O ' ' A' ' 658' ' ' VAL . 0.4 OUTLIER -104.71 17.93 5.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.573 1.17 . . . . 1.0 109.257 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 659' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.79 45.33 1.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.418 1.074 . . . . 1.0 110.368 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 660' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -86.95 14.24 7.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 1.0 110.231 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 661' ' ' VAL . . . . . 0.405 ' H ' HG22 ' A' ' 661' ' ' VAL . 0.9 OUTLIER -80.56 114.43 47.66 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.488 1.117 . . . . 1.0 109.229 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 662' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -179.31 4.87 Favored 'Trans proline' 0 C--N 1.359 1.084 0 O-C-N 124.433 1.754 . . . . 1.0 110.876 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 6.9 pttt -101.06 -36.28 9.05 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.534 1.146 . . . . 1.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 664' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -162.56 57.26 0.22 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.52 1.138 . . . . 1.0 110.901 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.61 62.66 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.578 1.174 . . . . 1.0 109.262 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 666' ' ' ASN . . . . . . . . . . . . . 37.9 t30 -96.15 67.25 2.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 1.0 109.291 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 2.9 ptmm? -67.5 147.52 98.76 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.43 1.081 . . . . 1.0 109.325 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 668' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 55.85 4.04 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.466 1.771 . . . . 1.0 110.948 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 6.7 ttt180 55.83 167.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.571 1.17 . . . . 1.0 110.366 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 16.8 t . . . . . 0 C--O 1.25 1.085 0 CA-C-O 117.039 -1.457 . . . . 1.0 109.922 -179.937 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 111.005 -0.838 . . . . 1.0 111.005 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 553' ' ' SER . . . . . . . . . . . . . 14.4 m 66.02 117.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.558 0.799 . . . . 1.0 109.954 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 554' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -175.29 72.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.551 1.157 . . . . 1.0 109.625 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 555' ' ' MET . . . . . . . . . . . . . 18.7 mmt -153.89 149.78 27.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 1.0 110.963 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . 160.89 166.5 19.76 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.462 1.101 . . . . 1.0 110.93 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 5.6 tmtt? -152.57 70.45 0.9 Allowed 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.473 0.749 . . . . 1.0 109.29 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 558' ' ' ASP . . . . . 0.49 ' O ' ' HD3' ' A' ' 585' ' ' PRO . 6.0 p-10 -155.16 108.39 2.8 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.409 1.068 . . . . 1.0 109.235 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 559' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -69.15 141.57 54.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 1.0 108.349 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 560' ' ' ILE . . . . . 0.617 HD11 ' HA ' ' A' ' 585' ' ' PRO . 7.5 mt -84.61 -53.97 9.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.449 1.093 . . . . 1.0 109.32 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 561' ' ' MET . . . . . 0.51 ' HB2' ' OE1' ' A' ' 646' ' ' GLU . 0.0 OUTLIER -140.63 162.36 35.58 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.618 1.199 . . . . 1.0 111.034 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 562' ' ' HIS . . . . . . . . . . . . . 2.6 p80 -155.79 174.72 14.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.099 . . . . 1.0 109.626 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 563' ' ' GLY . . . . . . . . . . . . . . . 132.37 -161.49 23.93 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.441 1.088 . . . . 1.0 111.019 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 564' ' ' TYR . . . . . 0.402 ' HE1' ' CA ' ' A' ' 579' ' ' ARG . 0.2 OUTLIER -91.47 127.64 36.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.583 0.814 . . . . 1.0 111.024 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 565' ' ' MET . . . . . 0.588 ' O ' ' O ' ' A' ' 579' ' ' ARG . 0.0 OUTLIER -143.67 131.57 21.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 1.0 111.018 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 566' ' ' SER . . . . . 0.427 ' HB2' ' HA ' ' A' ' 578' ' ' ARG . 0.2 OUTLIER -105.78 140.03 39.45 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.591 1.182 . . . . 1.0 109.978 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 567' ' ' LYS . . . . . 0.597 ' HD3' ' CD1' ' A' ' 630' ' ' PHE . 0.8 OUTLIER -160.69 157.51 27.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 1.0 109.242 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 568' ' ' MET . . . . . 0.499 ' CE ' ' OE1' ' A' ' 633' ' ' GLN . 0.1 OUTLIER -179.14 175.61 0.95 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 1.0 111.03 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 569' ' ' GLY . . . . . 0.405 ' C ' ' CG ' ' A' ' 570' ' ' ASN . . . -174.66 120.75 0.8 Allowed Glycine 0 CA--C 1.531 1.085 0 O-C-N 124.473 1.108 . . . . 1.0 110.963 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 570' ' ' ASN . . . . . 0.501 ' C ' ' H ' ' A' ' 572' ' ' PHE . 0.0 OUTLIER -165.57 176.15 2.11 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.583 0.814 . . . . 1.0 109.242 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 571' ' ' PRO . . . . . 0.472 ' CD ' ' CB ' ' A' ' 570' ' ' ASN . 18.2 Cg_endo -75.11 22.23 0.43 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.469 1.773 . . . . 1.0 110.905 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 572' ' ' PHE . . . . . 0.501 ' H ' ' C ' ' A' ' 570' ' ' ASN . 18.7 m-85 -143.5 86.91 1.91 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 1.0 111.016 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -86.46 85.86 7.32 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.5 1.125 . . . . 1.0 109.355 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 574' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -159.79 -27.77 0.07 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.521 1.138 . . . . 1.0 110.474 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 575' ' ' GLN . . . . . 0.587 ' O ' ' CD1' ' A' ' 576' ' ' TRP . 14.6 pt20 -87.82 165.25 15.44 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.113 . . . . 1.0 110.234 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 576' ' ' TRP . . . . . 0.587 ' CD1' ' O ' ' A' ' 575' ' ' GLN . 2.5 m-90 -146.17 129.4 16.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.565 1.166 . . . . 1.0 107.984 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 577' ' ' GLN . . . . . 0.404 ' O ' ' HB2' ' A' ' 566' ' ' SER . 4.8 pt20 -119.47 113.81 21.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 1.0 110.318 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 578' ' ' ARG . . . . . 0.427 ' HA ' ' HB2' ' A' ' 566' ' ' SER . 0.1 OUTLIER -94.25 113.78 25.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 1.0 110.314 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 579' ' ' ARG . . . . . 0.588 ' O ' ' O ' ' A' ' 565' ' ' MET . 18.3 mtp180 -135.33 164.93 26.62 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.61 1.194 . . . . 1.0 110.332 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 580' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -89.08 129.3 35.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 1.0 110.92 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 581' ' ' PHE . . . . . 0.591 ' CZ ' ' HB3' ' A' ' 590' ' ' TRP . 2.7 m-85 -118.15 175.46 5.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.144 . . . . 1.0 111.048 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 582' ' ' TYR . . . . . 0.516 ' O ' ' HA ' ' A' ' 588' ' ' LEU . 60.6 m-85 -152.84 122.46 6.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 1.0 110.974 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 583' ' ' LEU . . . . . 0.773 ' HB2' ' CZ3' ' A' ' 643' ' ' TRP . 5.5 tp -92.59 114.65 27.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.147 . . . . 1.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 584' ' ' PHE . . . . . 0.556 ' HB2' ' C ' ' A' ' 587' ' ' ARG . 7.3 m-85 -106.58 172.59 3.76 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.419 1.075 . . . . 1.0 110.997 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 585' ' ' PRO . . . . . 0.667 ' O ' ' HE1' ' A' ' 603' ' ' MET . 18.1 Cg_endo -75.03 8.81 2.26 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.541 1.811 . . . . 1.0 111.007 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 586' ' ' ASN . . . . . 0.759 ' HA ' ' CG ' ' A' ' 603' ' ' MET . 39.1 m-20 -176.72 -38.81 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.524 1.14 . . . . 1.0 109.338 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 587' ' ' ARG . . . . . 0.649 ' HA ' ' HA ' ' A' ' 602' ' ' THR . 2.6 mtt-85 -87.91 -168.66 2.29 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 1.0 110.254 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 588' ' ' LEU . . . . . 0.519 ' C ' HD12 ' A' ' 588' ' ' LEU . 0.1 OUTLIER 179.45 109.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 1.0 109.348 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 589' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -91.22 147.11 23.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.458 1.099 . . . . 1.0 110.263 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 590' ' ' TRP . . . . . 0.591 ' HB3' ' CZ ' ' A' ' 581' ' ' PHE . 0.1 OUTLIER -149.71 94.67 2.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 1.0 107.993 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.86 -172.88 3.35 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.354 1.034 . . . . 1.0 110.352 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . -173.74 -166.74 32.43 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.511 1.132 . . . . 1.0 111.053 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 593' ' ' GLU . . . . . 0.43 ' CD ' ' C ' ' A' ' 593' ' ' GLU . 0.0 OUTLIER -85.5 178.55 7.38 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.506 0.768 . . . . 1.0 110.242 -179.939 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . 95.03 -101.82 2.77 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.507 1.13 . . . . 1.0 110.973 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 595' ' ' GLU . . . . . 0.5 ' O ' ' HB2' ' A' ' 596' ' ' ALA . 0.8 OUTLIER -173.62 140.28 0.78 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.419 0.717 . . . . 1.0 110.279 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 596' ' ' ALA . . . . . 0.5 ' HB2' ' O ' ' A' ' 595' ' ' GLU . . . 175.68 161.65 0.42 Allowed Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.483 1.115 . . . . 1.0 109.325 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 597' ' ' PRO . . . . . 0.423 ' HD2' ' HB1' ' A' ' 596' ' ' ALA . 18.3 Cg_endo -75.03 -162.58 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.573 1.828 . . . . 1.0 110.938 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 598' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -85.05 131.2 34.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 1.0 110.319 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 599' ' ' SER . . . . . 0.471 ' HB3' ' CD2' ' A' ' 590' ' ' TRP . 15.9 m -133.62 92.05 2.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 1.0 109.99 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 600' ' ' LEU . . . . . 0.793 HD22 ' C ' ' A' ' 600' ' ' LEU . 0.0 OUTLIER -140.4 140.46 35.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 1.0 109.322 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 4.0 mt -142.14 -171.69 3.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 1.0 109.312 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 602' ' ' THR . . . . . 0.702 HG22 ' O ' ' A' ' 586' ' ' ASN . 0.0 OUTLIER -114.23 -167.35 1.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 1.0 110.356 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 603' ' ' MET . . . . . 0.759 ' CG ' ' HA ' ' A' ' 586' ' ' ASN . 0.1 OUTLIER -127.05 34.78 4.69 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.399 1.062 . . . . 1.0 111.023 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 604' ' ' GLU . . . . . 0.659 ' HB3' ' HB1' ' A' ' 654' ' ' ALA . 3.9 pt-20 -124.84 60.96 1.17 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.44 1.088 . . . . 1.0 110.361 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 605' ' ' GLU . . . . . 0.494 ' O ' ' C ' ' A' ' 606' ' ' ILE . 3.7 pt-20 -159.29 -51.04 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.117 . . . . 1.0 110.271 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 606' ' ' ILE . . . . . 1.271 HG21 ' CD2' ' A' ' 651' ' ' TYR . 0.9 OUTLIER -33.84 142.28 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.549 1.156 . . . . 1.0 109.298 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 607' ' ' GLN . . . . . 0.622 ' HG2' ' CB ' ' A' ' 625' ' ' ARG . 0.0 OUTLIER -93.75 -38.94 11.02 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.524 1.14 . . . . 1.0 110.27 -179.931 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -173.46 136.76 0.61 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 1.0 109.901 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 609' ' ' VAL . . . . . 0.917 HG22 ' CD ' ' A' ' 644' ' ' LYS . 5.3 p -109.96 141.47 25.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 1.0 109.332 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 610' ' ' GLU . . . . . 0.888 ' CD ' HD23 ' A' ' 621' ' ' LEU . 0.4 OUTLIER -161.16 -169.65 2.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 1.0 110.306 -179.937 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 611' ' ' GLU . . . . . 0.618 ' HA ' ' HA ' ' A' ' 620' ' ' LEU . 26.2 tt0 -137.83 149.07 46.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.153 . . . . 1.0 110.328 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 612' ' ' THR . . . . . 0.832 HG23 ' HG3' ' A' ' 618' ' ' LYS . 0.0 OUTLIER -114.74 165.99 12.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 1.0 110.339 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 613' ' ' GLN . . . . . 0.4 ' CA ' ' HB3' ' A' ' 618' ' ' LYS . 10.7 mp0 -133.57 160.9 36.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 1.0 110.337 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 614' ' ' ILE . . . . . 0.785 HG22 ' O ' ' A' ' 614' ' ' ILE . 0.2 OUTLIER -144.84 86.09 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 O-C-N 124.562 1.164 . . . . 1.0 109.282 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 615' ' ' LYS . . . . . 0.412 ' CB ' ' O ' ' A' ' 614' ' ' ILE . 10.5 mmtm 81.9 -35.37 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.432 1.082 . . . . 1.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 616' ' ' GLU . . . . . 0.44 ' H ' ' C ' ' A' ' 614' ' ' ILE . 1.4 tt0 -155.6 -48.73 0.08 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.45 1.094 . . . . 1.0 110.288 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 5.6 ttt85 -153.41 138.11 16.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.57 1.169 . . . . 1.0 110.343 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 618' ' ' LYS . . . . . 0.832 ' HG3' HG23 ' A' ' 612' ' ' THR . 9.3 tptt -118.83 -97.52 0.46 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.438 1.086 . . . . 1.0 109.242 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 619' ' ' CYS . . . . . 0.498 ' O ' ' CG ' ' A' ' 611' ' ' GLU . 18.0 m -158.36 -169.77 2.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 1.0 108.251 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 620' ' ' LEU . . . . . 1.057 HD13 HD12 ' A' ' 640' ' ' LEU . 0.1 OUTLIER -102.94 148.33 25.81 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.541 1.151 . . . . 1.0 109.299 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 621' ' ' LEU . . . . . 0.888 HD23 ' CD ' ' A' ' 610' ' ' GLU . 4.9 tp -103.5 156.54 17.69 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.486 1.116 . . . . 1.0 109.306 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 622' ' ' LEU . . . . . 0.885 HD12 HD11 ' A' ' 632' ' ' LEU . 0.9 OUTLIER -157.14 84.37 0.93 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.449 1.093 . . . . 1.0 109.305 179.934 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 623' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.28 138.26 31.59 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.534 1.146 . . . . 1.0 109.349 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 624' ' ' ILE . . . . . 0.925 HG22 ' H ' ' A' ' 626' ' ' GLY . 35.9 mt -103.99 145.02 13.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 1.0 109.233 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 625' ' ' ARG . . . . . 0.622 ' CB ' ' HG2' ' A' ' 607' ' ' GLN . 5.0 ptm180 -79.91 2.17 24.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 1.0 110.338 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 626' ' ' GLY . . . . . 0.925 ' H ' HG22 ' A' ' 624' ' ' ILE . . . -89.49 -21.33 41.1 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.492 1.12 . . . . 1.0 110.993 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 116.99 43.52 0.61 Allowed Glycine 0 CA--C 1.53 0.986 0 N-CA-C 110.976 -0.85 . . . . 1.0 110.976 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 628' ' ' LYS . . . . . . . . . . . . . 11.9 mttt -139.56 171.38 14.32 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.478 0.752 . . . . 1.0 109.303 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 15.9 mp0 -149.91 126.86 11.15 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.51 1.131 . . . . 1.0 110.337 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 630' ' ' PHE . . . . . 0.597 ' CD1' ' HD3' ' A' ' 567' ' ' LYS . 1.0 OUTLIER -123.53 167.78 13.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.425 1.078 . . . . 1.0 111.044 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 631' ' ' ILE . . . . . 0.503 ' O ' ' HG2' ' A' ' 567' ' ' LYS . 0.2 OUTLIER -144.64 115.67 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 1.0 109.248 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 632' ' ' LEU . . . . . 0.885 HD11 HD12 ' A' ' 622' ' ' LEU . 0.5 OUTLIER -84.03 154.28 23.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.563 1.165 . . . . 1.0 109.276 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 633' ' ' GLN . . . . . 0.499 ' OE1' ' CE ' ' A' ' 568' ' ' MET . 4.0 mt-30 -154.39 133.42 12.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 1.0 110.326 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 634' ' ' CYS . . . . . . . . . . . . . 1.6 t -155.45 162.53 40.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.535 1.147 . . . . 1.0 108.271 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 635' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -84.17 -16.68 42.61 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.112 . . . . 1.0 109.329 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 636' ' ' SER . . . . . 0.598 ' CB ' ' CG ' ' A' ' 639' ' ' GLU . 1.0 OUTLIER -86.93 133.66 33.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 1.0 109.941 -179.892 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 637' ' ' ASP . . . . . 0.662 ' N ' ' CD ' ' A' ' 638' ' ' PRO . 1.2 m-20 -78.29 -43.12 2.11 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.428 1.08 . . . . 1.0 109.319 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 638' ' ' PRO . . . . . 0.662 ' CD ' ' N ' ' A' ' 637' ' ' ASP . 18.0 Cg_endo -75.01 -51.18 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.592 1.838 . . . . 1.0 110.998 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 639' ' ' GLU . . . . . 0.598 ' CG ' ' CB ' ' A' ' 636' ' ' SER . 58.9 mm-40 -26.52 -80.66 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.487 1.117 . . . . 1.0 110.339 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 640' ' ' LEU . . . . . 1.057 HD12 HD13 ' A' ' 620' ' ' LEU . 0.2 OUTLIER -49.89 -45.37 50.67 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.489 1.118 . . . . 1.0 109.343 179.941 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 641' ' ' VAL . . . . . 0.62 HG12 ' N ' ' A' ' 642' ' ' GLN . 0.8 OUTLIER -47.24 -58.0 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.529 1.143 . . . . 1.0 109.29 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 642' ' ' GLN . . . . . 0.62 ' N ' HG12 ' A' ' 641' ' ' VAL . 1.1 tt0 -64.8 -38.5 91.19 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.55 1.156 . . . . 1.0 110.187 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 643' ' ' TRP . . . . . 0.773 ' CZ3' ' HB2' ' A' ' 583' ' ' LEU . 20.6 m95 -57.45 -41.65 80.93 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 1.0 108.049 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 644' ' ' LYS . . . . . 0.917 ' CD ' HG22 ' A' ' 609' ' ' VAL . 0.0 OUTLIER -60.15 -57.1 14.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 1.0 109.365 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 645' ' ' LYS . . . . . 0.401 ' C ' ' HD3' ' A' ' 645' ' ' LYS . 0.1 OUTLIER -40.7 -51.26 3.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 1.0 109.332 179.942 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 646' ' ' GLU . . . . . 0.635 ' CB ' HD23 ' A' ' 583' ' ' LEU . 5.5 mt-10 -75.54 -33.49 60.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 1.0 110.21 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 647' ' ' LEU . . . . . 0.673 ' CD2' HD11 ' A' ' 583' ' ' LEU . 2.5 mt -65.99 -64.18 0.92 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.441 1.088 . . . . 1.0 109.263 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 648' ' ' ARG . . . . . 0.527 ' N ' ' O ' ' A' ' 644' ' ' LYS . 6.1 ttt180 -43.6 -47.81 7.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 1.0 110.285 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 649' ' ' ASP . . . . . 0.542 ' O ' ' N ' ' A' ' 653' ' ' GLU . 12.4 t70 -65.08 -48.72 72.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.614 1.196 . . . . 1.0 109.242 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 650' ' ' ALA . . . . . 0.703 ' HB1' ' SD ' ' A' ' 603' ' ' MET . . . -46.97 -40.84 15.18 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.499 1.124 . . . . 1.0 109.257 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 651' ' ' TYR . . . . . 1.271 ' CD2' HG21 ' A' ' 606' ' ' ILE . 12.5 m-30 -80.17 -42.6 23.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 1.0 111.02 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 652' ' ' ARG . . . . . 0.503 ' CD ' ' HA ' ' A' ' 649' ' ' ASP . 0.1 OUTLIER -67.53 -37.43 82.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.086 . . . . 1.0 110.325 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 653' ' ' GLU . . . . . 0.542 ' N ' ' O ' ' A' ' 649' ' ' ASP . 1.1 tt0 -68.39 -38.19 81.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 1.0 110.332 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 654' ' ' ALA . . . . . 0.659 ' HB1' ' HB3' ' A' ' 604' ' ' GLU . . . -77.09 -54.24 6.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 1.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 655' ' ' GLN . . . . . 0.514 ' HA ' HG12 ' A' ' 658' ' ' VAL . 10.9 pt20 -49.04 -45.4 42.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 1.0 110.317 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 656' ' ' GLN . . . . . 0.469 ' N ' ' CG ' ' A' ' 655' ' ' GLN . 2.3 tp60 -54.04 -19.96 5.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 1.0 110.333 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 657' ' ' LEU . . . . . 0.494 ' HG ' ' O ' ' A' ' 653' ' ' GLU . 5.0 mt -85.35 -32.22 22.55 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.443 1.09 . . . . 1.0 109.333 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 658' ' ' VAL . . . . . 0.514 HG12 ' HA ' ' A' ' 655' ' ' GLN . 1.5 p -105.4 15.04 7.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.633 1.208 . . . . 1.0 109.265 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 659' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 655' ' ' GLN . 2.1 mt-30 -75.39 -39.92 58.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.103 . . . . 1.0 110.293 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 660' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.77 4.24 17.0 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.471 1.107 . . . . 1.0 110.359 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 661' ' ' VAL . . . . . . . . . . . . . 8.1 t 62.37 130.11 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 1.0 109.317 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 662' ' ' PRO . . . . . 0.402 ' HG2' ' CB ' ' A' ' 665' ' ' LYS . 18.4 Cg_endo -74.97 -177.95 3.82 Favored 'Trans proline' 0 C--N 1.358 1.064 0 O-C-N 124.516 1.798 . . . . 1.0 110.989 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.75 -62.17 1.74 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 1.0 109.33 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 664' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.05 113.83 16.3 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.525 1.14 . . . . 1.0 110.931 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 665' ' ' LYS . . . . . 0.402 ' CB ' ' HG2' ' A' ' 662' ' ' PRO . 0.5 OUTLIER -177.59 168.81 2.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 1.0 109.31 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 666' ' ' ASN . . . . . . . . . . . . . 3.0 t30 174.33 -54.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 1.0 109.347 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 4.5 ttmt 60.96 88.75 0.12 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.564 1.165 . . . . 1.0 109.291 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 668' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 58.66 5.01 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.529 1.805 . . . . 1.0 111.042 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 41.87 90.61 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 1.0 110.293 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 8.6 t . . . . . 0 C--O 1.249 1.078 0 CA-C-O 116.944 -1.503 . . . . 1.0 110.044 179.939 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.066 0 N-CA-C 111.002 -0.839 . . . . 1.0 111.002 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 553' ' ' SER . . . . . . . . . . . . . 7.9 m 64.4 121.9 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.57 0.806 . . . . 1.0 109.989 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 554' ' ' HIS . . . . . . . . . . . . . 46.9 t-80 -159.52 62.13 0.38 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.39 1.056 . . . . 1.0 109.556 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 555' ' ' MET . . . . . . . . . . . . . 5.2 ptp -143.82 169.8 17.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 1.0 111.003 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . -67.13 -151.48 0.2 Allowed Glycine 0 CA--C 1.532 1.127 0 O-C-N 124.431 1.082 . . . . 1.0 110.998 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 12.7 tttp -118.77 -106.49 0.38 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 0.792 . . . . 1.0 109.292 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 558' ' ' ASP . . . . . 0.753 ' O ' ' CE2' ' A' ' 584' ' ' PHE . 7.3 m-20 -153.08 22.45 0.57 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 1.0 109.31 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 559' ' ' CYS . . . . . . . . . . . . . 3.5 t -171.17 132.14 0.81 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.634 1.209 . . . . 1.0 108.294 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 560' ' ' ILE . . . . . 0.756 HD11 ' HA ' ' A' ' 585' ' ' PRO . 37.9 mt -95.53 -68.07 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 1.0 109.348 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 561' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -135.72 149.5 49.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 1.0 111.011 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 562' ' ' HIS . . . . . . . . . . . . . 5.8 p80 -140.61 165.36 27.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.417 1.073 . . . . 1.0 109.708 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 563' ' ' GLY . . . . . . . . . . . . . . . 148.33 -164.34 29.0 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.461 1.1 . . . . 1.0 110.996 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 564' ' ' TYR . . . . . 0.408 ' OH ' ' NE ' ' A' ' 578' ' ' ARG . 0.2 OUTLIER -96.32 126.78 41.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 0.75 . . . . 1.0 110.945 -179.942 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 565' ' ' MET . . . . . 0.54 ' HB2' ' HB2' ' A' ' 581' ' ' PHE . 0.0 OUTLIER -140.39 133.1 28.91 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.511 1.132 . . . . 1.0 111.022 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 566' ' ' SER . . . . . 0.655 ' OG ' ' O ' ' A' ' 633' ' ' GLN . 9.0 p -111.22 127.56 55.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.581 1.175 . . . . 1.0 109.975 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 567' ' ' LYS . . . . . 0.615 ' HD2' ' CD2' ' A' ' 630' ' ' PHE . 0.0 OUTLIER -134.62 145.48 48.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 1.0 109.254 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 568' ' ' MET . . . . . 0.517 ' N ' ' HG2' ' A' ' 567' ' ' LYS . 17.5 ptm -130.14 -173.7 3.12 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.538 1.149 . . . . 1.0 111.066 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 569' ' ' GLY . . . . . . . . . . . . . . . -69.9 -121.96 0.04 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.43 1.081 . . . . 1.0 110.994 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 570' ' ' ASN . . . . . 0.571 ' CB ' ' HD3' ' A' ' 571' ' ' PRO . 0.0 OUTLIER -169.58 -56.15 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.483 0.755 . . . . 1.0 109.367 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 571' ' ' PRO . . . . . 0.571 ' HD3' ' CB ' ' A' ' 570' ' ' ASN . 18.2 Cg_endo -75.04 8.05 2.61 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.509 1.794 . . . . 1.0 110.98 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 572' ' ' PHE . . . . . 0.516 ' CE2' ' HG2' ' A' ' 571' ' ' PRO . 12.7 m-85 -139.3 81.41 1.83 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 1.0 111.009 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 573' ' ' LEU . . . . . 0.67 HD11 ' HZ1' ' A' ' 618' ' ' LYS . 0.5 OUTLIER -90.49 86.33 6.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 1.0 109.333 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 574' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -160.32 -43.05 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 1.0 110.34 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -119.24 107.28 13.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.565 1.166 . . . . 1.0 110.306 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 576' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -90.83 147.75 22.97 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.114 . . . . 1.0 107.997 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 577' ' ' GLN . . . . . 0.489 ' NE2' ' NE ' ' A' ' 579' ' ' ARG . 0.0 OUTLIER -110.06 132.04 54.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 1.0 110.29 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 578' ' ' ARG . . . . . 0.522 ' HA ' ' HB2' ' A' ' 566' ' ' SER . 0.0 OUTLIER -128.71 122.7 31.3 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.563 1.165 . . . . 1.0 110.294 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 579' ' ' ARG . . . . . 0.489 ' NE ' ' NE2' ' A' ' 577' ' ' GLN . 42.5 mtt180 -155.02 -178.17 7.05 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.506 1.129 . . . . 1.0 110.301 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 580' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -88.39 131.22 34.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.432 1.083 . . . . 1.0 111.035 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 581' ' ' PHE . . . . . 0.597 ' CE1' ' HB3' ' A' ' 590' ' ' TRP . 4.1 m-85 -117.69 165.99 12.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 1.0 111.052 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 582' ' ' TYR . . . . . 0.515 ' O ' ' HA ' ' A' ' 588' ' ' LEU . 4.4 m-85 -146.4 116.8 7.48 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.534 1.146 . . . . 1.0 110.982 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 583' ' ' LEU . . . . . 0.694 ' HB2' ' CZ3' ' A' ' 643' ' ' TRP . 5.7 tp -91.2 116.01 28.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 1.0 109.38 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 584' ' ' PHE . . . . . 0.753 ' CE2' ' O ' ' A' ' 558' ' ' ASP . 0.6 OUTLIER -108.65 174.19 2.58 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 1.0 110.966 -179.92 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 585' ' ' PRO . . . . . 0.756 ' HA ' HD11 ' A' ' 560' ' ' ILE . 18.1 Cg_endo -75.02 -1.43 11.22 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.521 1.801 . . . . 1.0 110.99 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 586' ' ' ASN . . . . . 0.816 ' O ' HG22 ' A' ' 602' ' ' THR . 3.2 m120 -165.81 -40.49 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 1.0 109.24 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 587' ' ' ARG . . . . . 0.541 ' HA ' ' HA ' ' A' ' 602' ' ' THR . 2.5 mtp180 -90.08 -167.73 1.92 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 1.0 110.283 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 588' ' ' LEU . . . . . 0.515 ' HA ' ' O ' ' A' ' 582' ' ' TYR . 0.1 OUTLIER 176.2 113.02 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.417 1.073 . . . . 1.0 109.385 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 589' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -93.69 145.09 24.82 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 124.502 1.126 . . . . 1.0 110.297 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 590' ' ' TRP . . . . . 0.597 ' HB3' ' CE1' ' A' ' 581' ' ' PHE . 2.9 p-90 -142.0 80.86 1.73 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 1.0 108.0 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -117.72 -171.37 2.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 1.0 110.303 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . -179.21 144.89 6.37 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.513 1.133 . . . . 1.0 110.959 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.66 168.71 8.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 0.74 . . . . 1.0 110.281 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . 46.42 64.59 2.5 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.533 1.146 . . . . 1.0 111.066 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 595' ' ' GLU . . . . . 0.427 ' OE2' ' NH2' ' A' ' 579' ' ' ARG . 2.2 tt0 179.82 -176.12 0.31 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 0.786 . . . . 1.0 110.29 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 596' ' ' ALA . . . . . 0.492 ' HB1' ' HD2' ' A' ' 597' ' ' PRO . . . -79.45 163.93 56.63 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 1.0 109.274 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 597' ' ' PRO . . . . . 0.492 ' HD2' ' HB1' ' A' ' 596' ' ' ALA . 18.5 Cg_endo -75.0 119.98 5.88 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.468 1.773 . . . . 1.0 111.011 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 598' ' ' GLN . . . . . . . . . . . . . 23.5 mp0 -89.92 -172.27 3.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.437 1.086 . . . . 1.0 110.258 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 599' ' ' SER . . . . . 0.495 ' O ' ' CD1' ' A' ' 590' ' ' TRP . 0.2 OUTLIER -123.12 -170.65 2.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.599 1.187 . . . . 1.0 109.96 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -140.58 110.16 6.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.125 . . . . 1.0 109.3 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -80.21 -166.75 1.11 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.153 . . . . 1.0 109.369 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 602' ' ' THR . . . . . 0.816 HG22 ' O ' ' A' ' 586' ' ' ASN . 0.1 OUTLIER -118.12 -160.43 0.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 1.0 110.414 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 603' ' ' MET . . . . . 0.727 ' CE ' ' HB2' ' A' ' 654' ' ' ALA . 0.1 OUTLIER -137.42 37.1 2.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.103 . . . . 1.0 111.058 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -125.26 57.46 1.31 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.435 1.084 . . . . 1.0 110.317 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 605' ' ' GLU . . . . . 0.522 ' O ' ' C ' ' A' ' 606' ' ' ILE . 3.9 pt-20 -158.77 -55.52 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 1.0 110.276 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 606' ' ' ILE . . . . . 1.219 HG21 ' CD2' ' A' ' 651' ' ' TYR . 0.9 OUTLIER -30.93 137.42 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 1.0 109.293 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 607' ' ' GLN . . . . . 0.523 ' HG2' ' CB ' ' A' ' 625' ' ' ARG . 0.0 OUTLIER -87.73 -39.49 14.91 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 1.0 110.27 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 1.5 m -174.81 135.32 0.38 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 1.0 110.03 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 609' ' ' VAL . . . . . 0.928 HG22 ' CD ' ' A' ' 644' ' ' LYS . 3.1 p -107.63 140.81 24.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.463 1.102 . . . . 1.0 109.23 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 610' ' ' GLU . . . . . 0.882 ' HG3' HD23 ' A' ' 621' ' ' LEU . 0.2 OUTLIER -158.51 -167.92 2.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 1.0 110.331 179.945 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 611' ' ' GLU . . . . . 0.65 ' HA ' ' HA ' ' A' ' 620' ' ' LEU . 27.4 tt0 -140.37 149.02 42.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.389 1.056 . . . . 1.0 110.333 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 612' ' ' THR . . . . . 0.817 HG23 ' HG3' ' A' ' 618' ' ' LYS . 0.0 OUTLIER -115.23 164.79 13.72 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.546 1.154 . . . . 1.0 110.397 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 11.1 mp0 -128.54 163.92 23.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 1.0 110.341 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 614' ' ' ILE . . . . . 0.778 HG22 ' O ' ' A' ' 614' ' ' ILE . 0.1 OUTLIER -148.16 83.19 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.414 1.071 . . . . 1.0 109.347 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 615' ' ' LYS . . . . . 0.436 ' HB3' ' O ' ' A' ' 614' ' ' ILE . 9.0 ttmt 81.39 -33.13 0.1 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.438 1.087 . . . . 1.0 109.252 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 616' ' ' GLU . . . . . 0.451 ' H ' ' C ' ' A' ' 614' ' ' ILE . 1.9 tt0 -156.77 -47.67 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 1.0 110.298 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 12.2 ttt-85 -156.49 137.69 13.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.581 1.175 . . . . 1.0 110.245 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 618' ' ' LYS . . . . . 0.817 ' HG3' HG23 ' A' ' 612' ' ' THR . 2.1 tptt -117.66 -98.05 0.46 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 1.0 109.264 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 619' ' ' CYS . . . . . 0.484 ' O ' ' CG ' ' A' ' 611' ' ' GLU . 25.5 m -157.35 -173.19 4.3 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.587 1.179 . . . . 1.0 108.316 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 620' ' ' LEU . . . . . 0.828 HD13 ' CG ' ' A' ' 640' ' ' LEU . 0.2 OUTLIER -102.9 138.15 40.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 1.0 109.362 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 621' ' ' LEU . . . . . 0.882 HD23 ' HG3' ' A' ' 610' ' ' GLU . 3.8 tp -91.46 161.04 15.14 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.536 1.147 . . . . 1.0 109.279 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 622' ' ' LEU . . . . . 0.849 HD21 ' HE2' ' A' ' 651' ' ' TYR . 0.6 OUTLIER -161.8 83.42 0.59 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 1.0 109.34 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 623' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.18 138.52 31.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.523 1.139 . . . . 1.0 109.313 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 624' ' ' ILE . . . . . 0.943 HG22 ' H ' ' A' ' 626' ' ' GLY . 62.8 mt -102.62 145.66 11.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 1.0 109.36 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 625' ' ' ARG . . . . . 0.523 ' CB ' ' HG2' ' A' ' 607' ' ' GLN . 0.1 OUTLIER -79.05 2.69 19.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.388 1.055 . . . . 1.0 110.327 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 626' ' ' GLY . . . . . 0.943 ' H ' HG22 ' A' ' 624' ' ' ILE . . . -91.67 -23.02 29.47 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.454 1.096 . . . . 1.0 111.057 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 117.86 47.49 0.44 Allowed Glycine 0 CA--C 1.531 1.032 0 N-CA-C 111.008 -0.837 . . . . 1.0 111.008 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 628' ' ' LYS . . . . . . . . . . . . . 3.8 mtmt -144.47 168.99 18.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 0.765 . . . . 1.0 109.254 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -142.64 130.83 22.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.592 1.183 . . . . 1.0 110.333 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 630' ' ' PHE . . . . . 0.615 ' CD2' ' HD2' ' A' ' 567' ' ' LYS . 1.5 m-85 -126.36 150.24 48.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.437 1.086 . . . . 1.0 111.004 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 631' ' ' ILE . . . . . 0.494 ' HA ' ' O ' ' A' ' 620' ' ' LEU . 0.1 OUTLIER -129.75 117.78 42.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 1.0 109.408 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 632' ' ' LEU . . . . . 0.809 HD11 HD12 ' A' ' 622' ' ' LEU . 1.1 mp -92.47 160.28 15.14 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.495 1.122 . . . . 1.0 109.335 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 633' ' ' GLN . . . . . 0.655 ' O ' ' OG ' ' A' ' 566' ' ' SER . 11.2 tp60 -158.03 125.05 4.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.438 1.087 . . . . 1.0 110.339 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 634' ' ' CYS . . . . . 0.628 ' SG ' HD23 ' A' ' 640' ' ' LEU . 15.5 p -130.55 153.26 49.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 1.0 108.405 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 635' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -80.93 -12.83 59.33 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.149 . . . . 1.0 109.241 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 636' ' ' SER . . . . . 0.517 ' CB ' ' HG3' ' A' ' 639' ' ' GLU . 0.5 OUTLIER -91.8 165.79 13.09 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.555 1.159 . . . . 1.0 109.978 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 637' ' ' ASP . . . . . 0.535 ' N ' ' CD ' ' A' ' 638' ' ' PRO . 0.2 OUTLIER -94.92 -51.06 0.25 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.565 1.166 . . . . 1.0 109.276 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 638' ' ' PRO . . . . . 0.57 ' O ' ' C ' ' A' ' 639' ' ' GLU . 18.4 Cg_endo -74.97 -45.51 0.28 Allowed 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.538 1.81 . . . . 1.0 110.917 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 639' ' ' GLU . . . . . 0.57 ' C ' ' O ' ' A' ' 638' ' ' PRO . 4.6 mt-10 -23.81 -73.04 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.587 1.179 . . . . 1.0 110.311 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 640' ' ' LEU . . . . . 0.828 ' CG ' HD13 ' A' ' 620' ' ' LEU . 0.2 OUTLIER -57.03 -52.2 66.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 1.0 109.262 -179.92 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 641' ' ' VAL . . . . . 0.537 HG12 ' N ' ' A' ' 642' ' ' GLN . 0.5 OUTLIER -40.69 -53.76 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.562 1.164 . . . . 1.0 109.324 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 642' ' ' GLN . . . . . 0.537 ' N ' HG12 ' A' ' 641' ' ' VAL . 2.3 mp0 -69.9 -41.87 74.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 1.0 110.305 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 643' ' ' TRP . . . . . 0.73 ' O ' HD12 ' A' ' 647' ' ' LEU . 16.2 m95 -55.46 -41.12 72.48 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.492 1.12 . . . . 1.0 108.038 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 644' ' ' LYS . . . . . 0.928 ' CD ' HG22 ' A' ' 609' ' ' VAL . 0.0 OUTLIER -65.14 -57.56 8.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 1.0 109.367 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 8.4 tmtm? -42.03 -54.56 3.49 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.558 1.161 . . . . 1.0 109.337 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 646' ' ' GLU . . . . . 0.474 ' HB3' HD23 ' A' ' 583' ' ' LEU . 1.5 mp0 -70.23 -26.33 63.81 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 1.0 110.3 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 647' ' ' LEU . . . . . 0.73 HD12 ' O ' ' A' ' 643' ' ' TRP . 0.4 OUTLIER -72.96 -62.59 1.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 1.0 109.275 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 648' ' ' ARG . . . . . 0.524 ' O ' ' CG ' ' A' ' 652' ' ' ARG . 0.9 OUTLIER -40.0 -52.49 2.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.625 1.203 . . . . 1.0 110.337 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 649' ' ' ASP . . . . . 0.455 ' O ' ' N ' ' A' ' 653' ' ' GLU . 27.2 t70 -58.06 -47.44 83.16 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 1.0 109.3 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 650' ' ' ALA . . . . . 0.499 ' HB1' ' SD ' ' A' ' 603' ' ' MET . . . -48.98 -57.27 6.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.566 1.166 . . . . 1.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 651' ' ' TYR . . . . . 1.219 ' CD2' HG21 ' A' ' 606' ' ' ILE . 13.9 m-30 -67.16 -27.07 66.99 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.466 1.104 . . . . 1.0 110.975 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 652' ' ' ARG . . . . . 0.581 ' O ' ' N ' ' A' ' 655' ' ' GLN . 10.1 mmm180 -74.47 -67.96 0.58 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.423 1.077 . . . . 1.0 110.358 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 653' ' ' GLU . . . . . 0.629 ' O ' HD13 ' A' ' 657' ' ' LEU . 13.3 mt-10 -44.29 -30.44 0.81 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 1.0 110.347 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 654' ' ' ALA . . . . . 0.727 ' HB2' ' CE ' ' A' ' 603' ' ' MET . . . -74.88 -34.49 62.23 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 1.0 109.37 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 655' ' ' GLN . . . . . 0.581 ' N ' ' O ' ' A' ' 652' ' ' ARG . 3.5 pt20 -48.28 -46.16 35.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 1.0 110.35 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 656' ' ' GLN . . . . . 0.492 ' N ' ' CG ' ' A' ' 655' ' ' GLN . 4.5 pt20 -74.01 -12.81 60.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 1.0 110.359 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 657' ' ' LEU . . . . . 0.678 HD22 ' HA ' ' A' ' 654' ' ' ALA . 0.5 OUTLIER -85.53 -28.93 24.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 1.0 109.301 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 658' ' ' VAL . . . . . 0.476 HG22 HG21 ' A' ' 661' ' ' VAL . 0.9 OUTLIER -114.15 11.32 8.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.395 1.059 . . . . 1.0 109.316 -179.943 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 659' ' ' GLN . . . . . 0.405 ' O ' ' N ' ' A' ' 661' ' ' VAL . 0.0 OUTLIER -61.0 -59.34 5.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 1.0 110.219 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 660' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.95 66.73 0.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.406 1.066 . . . . 1.0 110.264 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 661' ' ' VAL . . . . . 0.597 ' O ' HG12 ' A' ' 661' ' ' VAL . 74.8 t -137.75 63.38 39.1 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 1.0 109.282 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 662' ' ' PRO . . . . . 0.441 ' HD3' ' N ' ' A' ' 661' ' ' VAL . 18.0 Cg_endo -75.03 169.9 21.61 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.473 1.775 . . . . 1.0 111.026 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 15.9 ttpp -98.18 -62.45 1.24 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.499 1.124 . . . . 1.0 109.332 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 664' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -169.13 56.35 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 1.0 110.939 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 665' ' ' LYS . . . . . 0.421 ' O ' ' CB ' ' A' ' 666' ' ' ASN . 0.8 OUTLIER -138.55 -62.49 0.56 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.427 1.079 . . . . 1.0 109.25 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 666' ' ' ASN . . . . . 0.421 ' CB ' ' O ' ' A' ' 665' ' ' LYS . 0.5 OUTLIER 75.89 -57.94 0.56 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.438 1.086 . . . . 1.0 109.287 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.9 119.79 36.63 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.44 1.088 . . . . 1.0 109.347 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 668' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 -36.92 2.29 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.488 1.783 . . . . 1.0 111.008 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 9.0 ttp180 177.97 144.83 0.11 Allowed 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.471 1.107 . . . . 1.0 110.328 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.122 0 CA-C-O 117.029 -1.463 . . . . 1.0 110.032 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.935 0 N-CA-C 111.037 -0.825 . . . . 1.0 111.037 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 553' ' ' SER . . . . . . . . . . . . . 1.6 m -179.78 78.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.408 0.71 . . . . 1.0 110.023 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 554' ' ' HIS . . . . . . . . . . . . . 8.5 m170 65.49 117.25 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.505 1.128 . . . . 1.0 109.603 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 555' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -159.0 170.31 22.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 1.0 111.046 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . 125.97 -171.48 17.79 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.555 1.159 . . . . 1.0 110.98 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 60.1 tttt -130.2 -106.59 0.28 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 0.745 . . . . 1.0 109.226 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 558' ' ' ASP . . . . . 0.86 ' O ' ' CE2' ' A' ' 584' ' ' PHE . 2.6 m-20 -154.91 24.8 0.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 1.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 559' ' ' CYS . . . . . . . . . . . . . 5.4 t -170.94 138.06 1.27 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.131 . . . . 1.0 108.271 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 560' ' ' ILE . . . . . 0.898 HD11 ' HA ' ' A' ' 585' ' ' PRO . 40.9 mt -99.63 -66.05 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.477 1.11 . . . . 1.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 561' ' ' MET . . . . . 0.419 ' SD ' ' OE2' ' A' ' 646' ' ' GLU . 0.0 OUTLIER -138.13 131.51 30.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 1.0 110.956 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 562' ' ' HIS . . . . . . . . . . . . . 6.3 p80 -127.57 161.16 29.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 1.0 109.602 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 563' ' ' GLY . . . . . . . . . . . . . . . 153.75 -163.11 30.71 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.487 1.117 . . . . 1.0 111.047 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 564' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -94.31 125.65 39.08 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.5 0.765 . . . . 1.0 110.948 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 565' ' ' MET . . . . . 0.718 ' SD ' HD22 ' A' ' 640' ' ' LEU . 0.2 OUTLIER -139.57 145.74 38.99 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.485 1.116 . . . . 1.0 111.058 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 566' ' ' SER . . . . . 0.559 ' OG ' ' HG3' ' A' ' 633' ' ' GLN . 0.6 OUTLIER -113.87 145.68 41.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 1.0 110.064 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 567' ' ' LYS . . . . . 0.783 ' HE3' HD22 ' A' ' 632' ' ' LEU . 0.1 OUTLIER -140.68 165.97 26.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 1.0 109.297 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 568' ' ' MET . . . . . 0.459 ' N ' ' CG ' ' A' ' 567' ' ' LYS . 0.0 OUTLIER 178.54 177.57 0.45 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.442 1.089 . . . . 1.0 110.995 179.924 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 569' ' ' GLY . . . . . . . . . . . . . . . 157.87 120.27 0.61 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.555 1.159 . . . . 1.0 111.009 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 570' ' ' ASN . . . . . 0.545 ' CB ' ' CD ' ' A' ' 571' ' ' PRO . 1.2 m-20 -169.41 -179.93 0.73 Allowed Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.495 0.762 . . . . 1.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 571' ' ' PRO . . . . . 0.545 ' CD ' ' CB ' ' A' ' 570' ' ' ASN . 18.6 Cg_endo -75.02 2.38 6.71 Favored 'Trans proline' 0 C--N 1.362 1.262 0 O-C-N 124.436 1.756 . . . . 1.0 110.99 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 572' ' ' PHE . . . . . 0.538 ' CE2' ' HG2' ' A' ' 571' ' ' PRO . 9.1 m-85 -150.42 80.44 1.35 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 1.0 110.982 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 573' ' ' LEU . . . . . 0.479 ' HA ' HD12 ' A' ' 573' ' ' LEU . 2.1 tp -81.26 88.13 6.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 1.0 109.37 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 574' ' ' THR . . . . . 0.425 HG23 ' O ' ' A' ' 574' ' ' THR . 0.7 OUTLIER -135.86 8.84 3.29 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.445 1.091 . . . . 1.0 110.451 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 575' ' ' GLN . . . . . 0.607 ' O ' ' CD1' ' A' ' 576' ' ' TRP . 26.0 pt20 -120.66 -177.75 3.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 1.0 110.365 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 576' ' ' TRP . . . . . 0.607 ' CD1' ' O ' ' A' ' 575' ' ' GLN . 15.9 m0 -156.17 120.32 4.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.425 1.078 . . . . 1.0 108.105 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 577' ' ' GLN . . . . . 0.402 ' HB2' ' SD ' ' A' ' 568' ' ' MET . 0.9 OUTLIER -118.62 111.67 18.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.412 1.07 . . . . 1.0 110.344 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 578' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.2 116.28 28.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 1.0 110.275 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 579' ' ' ARG . . . . . 0.573 ' O ' ' O ' ' A' ' 565' ' ' MET . 44.5 mtp180 -130.45 165.65 22.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 1.0 110.329 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 580' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -88.29 127.61 35.47 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 1.0 110.991 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 581' ' ' PHE . . . . . 0.569 ' CE2' ' CB ' ' A' ' 590' ' ' TRP . 55.2 m-85 -124.54 169.91 11.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.154 . . . . 1.0 110.996 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 582' ' ' TYR . . . . . 0.551 ' CA ' ' HH2' ' A' ' 643' ' ' TRP . 32.4 m-85 -146.91 121.99 10.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 1.0 110.984 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 583' ' ' LEU . . . . . 0.818 ' HB2' ' CZ3' ' A' ' 643' ' ' TRP . 8.1 tp -90.5 112.71 24.47 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.501 1.126 . . . . 1.0 109.318 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 584' ' ' PHE . . . . . 0.86 ' CE2' ' O ' ' A' ' 558' ' ' ASP . 0.6 OUTLIER -104.55 170.51 5.97 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 1.0 111.025 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 585' ' ' PRO . . . . . 0.898 ' HA ' HD11 ' A' ' 560' ' ' ILE . 18.3 Cg_endo -75.0 7.34 2.91 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.474 1.776 . . . . 1.0 111.042 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 586' ' ' ASN . . . . . 0.716 ' HA ' ' CG ' ' A' ' 603' ' ' MET . 14.3 m120 -170.65 -44.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 1.0 109.292 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 587' ' ' ARG . . . . . 0.584 ' HA ' ' HA ' ' A' ' 602' ' ' THR . 3.5 mtp85 -88.53 -170.99 3.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.55 1.157 . . . . 1.0 110.374 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 588' ' ' LEU . . . . . 0.508 ' C ' HD12 ' A' ' 588' ' ' LEU . 0.1 OUTLIER -178.33 112.81 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 1.0 109.3 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 589' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -87.75 139.98 29.98 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 1.0 110.307 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 590' ' ' TRP . . . . . 0.569 ' CB ' ' CE2' ' A' ' 581' ' ' PHE . 1.3 p-90 -143.23 78.3 1.6 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.995 -1.113 . . . . 1.0 107.995 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 591' ' ' ARG . . . . . 0.419 ' HD3' ' OG ' ' A' ' 599' ' ' SER . 0.0 OUTLIER -115.85 175.74 5.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.584 1.178 . . . . 1.0 110.212 -179.911 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . 167.59 -151.17 18.39 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.571 1.169 . . . . 1.0 110.961 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 593' ' ' GLU . . . . . 0.455 ' N ' ' OE1' ' A' ' 593' ' ' GLU . 0.0 OUTLIER -92.92 165.75 12.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 0.737 . . . . 1.0 110.225 -179.917 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . 40.39 70.93 0.33 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.514 1.134 . . . . 1.0 111.006 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 595' ' ' GLU . . . . . 0.411 ' HB3' ' NH2' ' A' ' 579' ' ' ARG . 19.0 tp10 -178.1 163.7 1.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 0.794 . . . . 1.0 110.304 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . -79.85 157.26 74.3 Favored Pre-proline 0 C--N 1.323 -0.565 0 O-C-N 124.546 1.153 . . . . 1.0 109.287 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 597' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -14.19 21.28 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.504 1.792 . . . . 1.0 111.016 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 598' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -86.12 89.12 7.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 1.0 110.314 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 599' ' ' SER . . . . . 0.472 ' HB2' ' CD2' ' A' ' 590' ' ' TRP . 17.9 p -155.2 76.46 0.98 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 1.0 109.952 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -140.29 121.0 14.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 1.0 109.33 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -125.51 -175.19 3.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 1.0 109.327 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 602' ' ' THR . . . . . 0.605 HG22 ' O ' ' A' ' 586' ' ' ASN . 0.0 OUTLIER -120.58 -165.18 1.17 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 1.0 110.363 -179.945 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 603' ' ' MET . . . . . 0.791 ' SD ' ' HB1' ' A' ' 650' ' ' ALA . 0.8 OUTLIER -127.38 38.52 4.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 1.0 111.036 -179.941 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -125.95 58.53 1.34 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.534 1.146 . . . . 1.0 110.331 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 605' ' ' GLU . . . . . 0.553 ' HG3' HD12 ' A' ' 606' ' ' ILE . 3.2 pt-20 -159.0 -57.7 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 1.0 110.309 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 606' ' ' ILE . . . . . 1.22 HG21 ' CD2' ' A' ' 651' ' ' TYR . 1.3 mp -34.94 140.44 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 1.0 109.35 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 607' ' ' GLN . . . . . 0.54 ' HG2' ' CB ' ' A' ' 625' ' ' ARG . 0.0 OUTLIER -91.87 -36.12 13.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 1.0 110.259 -179.929 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 608' ' ' SER . . . . . 0.401 ' HB2' ' HD3' ' A' ' 623' ' ' LYS . 2.2 m -174.0 132.53 0.42 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.576 1.172 . . . . 1.0 109.995 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 609' ' ' VAL . . . . . 1.1 HG22 ' CD ' ' A' ' 644' ' ' LYS . 1.7 p -106.03 128.98 59.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 1.0 109.343 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 610' ' ' GLU . . . . . 0.851 ' CD ' HD23 ' A' ' 621' ' ' LEU . 0.2 OUTLIER -146.87 -168.83 3.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 1.0 110.23 -179.917 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 611' ' ' GLU . . . . . 0.589 ' HA ' ' HA ' ' A' ' 620' ' ' LEU . 23.3 tt0 -140.45 146.91 38.86 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.57 1.169 . . . . 1.0 110.305 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 612' ' ' THR . . . . . 0.879 HG23 ' HG3' ' A' ' 618' ' ' LYS . 0.1 OUTLIER -112.15 164.18 13.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 1.0 110.413 -179.932 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -129.52 162.21 28.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 1.0 110.29 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 614' ' ' ILE . . . . . 0.795 HG22 ' O ' ' A' ' 614' ' ' ILE . 0.1 OUTLIER -145.74 84.12 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 1.0 109.331 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 615' ' ' LYS . . . . . 0.406 ' CB ' ' O ' ' A' ' 614' ' ' ILE . 0.9 OUTLIER 82.33 -34.52 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 1.0 109.257 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 616' ' ' GLU . . . . . 0.424 ' H ' ' C ' ' A' ' 614' ' ' ILE . 0.8 OUTLIER -156.36 -47.07 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 1.0 110.39 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -155.99 136.69 13.37 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.389 1.055 . . . . 1.0 110.29 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 618' ' ' LYS . . . . . 0.879 ' HG3' HG23 ' A' ' 612' ' ' THR . 0.4 OUTLIER -117.1 -98.27 0.45 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 1.0 109.35 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 619' ' ' CYS . . . . . 0.457 ' O ' ' CG ' ' A' ' 611' ' ' GLU . 57.2 m -156.35 -173.86 4.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 1.0 108.278 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 620' ' ' LEU . . . . . 1.099 HD13 HD12 ' A' ' 640' ' ' LEU . 0.2 OUTLIER -102.51 145.55 29.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 1.0 109.301 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 621' ' ' LEU . . . . . 0.851 HD23 ' CD ' ' A' ' 610' ' ' GLU . 1.7 tp -105.42 162.89 13.06 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.489 1.118 . . . . 1.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 622' ' ' LEU . . . . . 1.098 HD13 HD21 ' A' ' 632' ' ' LEU . 0.2 OUTLIER -163.58 78.48 0.42 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.543 1.152 . . . . 1.0 109.346 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 623' ' ' LYS . . . . . 0.401 ' HD3' ' HB2' ' A' ' 608' ' ' SER . 0.0 OUTLIER -78.25 140.17 38.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.56 1.162 . . . . 1.0 109.253 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 624' ' ' ILE . . . . . 0.954 HG22 ' H ' ' A' ' 626' ' ' GLY . 82.4 mt -102.26 145.85 11.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.13 . . . . 1.0 109.315 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 625' ' ' ARG . . . . . 0.54 ' CB ' ' HG2' ' A' ' 607' ' ' GLN . 5.4 ptm180 -77.61 2.92 15.08 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.43 1.081 . . . . 1.0 110.292 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 626' ' ' GLY . . . . . 0.954 ' H ' HG22 ' A' ' 624' ' ' ILE . . . -90.22 -18.55 49.39 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.58 1.175 . . . . 1.0 111.003 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 113.12 32.97 2.06 Favored Glycine 0 CA--C 1.53 0.972 0 N-CA-C 111.079 -0.808 . . . . 1.0 111.079 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 628' ' ' LYS . . . . . 0.489 ' HB2' HD12 ' A' ' 624' ' ' ILE . 3.8 mmtt -130.51 176.01 8.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 0.76 . . . . 1.0 109.341 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -146.32 151.25 37.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 1.0 110.332 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 630' ' ' PHE . . . . . 0.497 ' CE1' ' HD3' ' A' ' 567' ' ' LYS . 0.5 OUTLIER -140.22 147.91 40.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.573 1.171 . . . . 1.0 111.052 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 631' ' ' ILE . . . . . 0.576 ' O ' HG22 ' A' ' 631' ' ' ILE . 0.0 OUTLIER -136.22 106.15 5.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.519 1.137 . . . . 1.0 109.337 179.939 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 632' ' ' LEU . . . . . 1.098 HD21 HD13 ' A' ' 622' ' ' LEU . 0.2 OUTLIER -116.66 161.8 18.64 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.531 1.144 . . . . 1.0 109.219 -179.905 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 633' ' ' GLN . . . . . 0.559 ' HG3' ' OG ' ' A' ' 566' ' ' SER . 1.7 pp0? -144.34 175.78 9.84 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.462 1.101 . . . . 1.0 110.334 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 634' ' ' CYS . . . . . 0.72 ' HB2' HD23 ' A' ' 640' ' ' LEU . 0.8 OUTLIER -155.97 157.76 36.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 1.0 108.27 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 635' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -82.29 -22.18 35.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 1.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 636' ' ' SER . . . . . 0.459 ' CB ' ' HB2' ' A' ' 639' ' ' GLU . 0.5 OUTLIER -89.81 154.38 19.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 1.0 109.942 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 637' ' ' ASP . . . . . 0.59 ' N ' ' CD ' ' A' ' 638' ' ' PRO . 0.2 OUTLIER -84.64 -47.6 0.66 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.158 . . . . 1.0 109.301 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 638' ' ' PRO . . . . . 0.59 ' CD ' ' N ' ' A' ' 637' ' ' ASP . 18.1 Cg_endo -74.99 -51.75 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.544 1.813 . . . . 1.0 110.89 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 639' ' ' GLU . . . . . 0.558 ' C ' ' O ' ' A' ' 638' ' ' PRO . 13.0 mm-40 -24.23 -81.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.089 . . . . 1.0 110.273 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 640' ' ' LEU . . . . . 1.099 HD12 HD13 ' A' ' 620' ' ' LEU . 0.1 OUTLIER -51.0 -47.07 61.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.105 . . . . 1.0 109.276 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 641' ' ' VAL . . . . . 0.597 HG12 ' N ' ' A' ' 642' ' ' GLN . 0.7 OUTLIER -45.04 -56.64 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.551 1.157 . . . . 1.0 109.353 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 642' ' ' GLN . . . . . 0.597 ' N ' HG12 ' A' ' 641' ' ' VAL . 0.6 OUTLIER -64.94 -38.4 90.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 1.0 110.336 179.894 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 643' ' ' TRP . . . . . 0.84 ' O ' HD12 ' A' ' 647' ' ' LEU . 28.6 m95 -58.01 -40.06 79.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.133 . . . . 1.0 108.03 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 644' ' ' LYS . . . . . 1.1 ' CD ' HG22 ' A' ' 609' ' ' VAL . 0.0 OUTLIER -65.44 -58.95 4.6 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.48 1.112 . . . . 1.0 109.327 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 10.8 tmtt? -41.26 -50.57 3.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 1.0 109.227 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 646' ' ' GLU . . . . . 0.688 ' CB ' HD23 ' A' ' 583' ' ' LEU . 0.3 OUTLIER -71.31 -32.86 69.12 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.474 1.109 . . . . 1.0 110.33 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 647' ' ' LEU . . . . . 0.84 HD12 ' O ' ' A' ' 643' ' ' TRP . 1.0 OUTLIER -67.76 -61.22 1.98 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 1.0 109.311 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 648' ' ' ARG . . . . . 0.455 ' N ' ' O ' ' A' ' 644' ' ' LYS . 0.1 OUTLIER -41.56 -54.98 3.03 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.515 1.134 . . . . 1.0 110.27 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 649' ' ' ASP . . . . . 0.443 ' HA ' ' HB2' ' A' ' 652' ' ' ARG . 29.0 t0 -60.6 -47.6 85.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 1.0 109.304 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 650' ' ' ALA . . . . . 0.791 ' HB1' ' SD ' ' A' ' 603' ' ' MET . . . -47.34 -55.02 9.61 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.566 1.166 . . . . 1.0 109.329 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 651' ' ' TYR . . . . . 1.22 ' CD2' HG21 ' A' ' 606' ' ' ILE . 22.2 m-30 -68.03 -28.53 67.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 1.0 110.965 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 652' ' ' ARG . . . . . 0.534 ' O ' ' N ' ' A' ' 655' ' ' GLN . 41.1 mtp180 -73.46 -68.77 0.47 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 1.0 110.244 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 653' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 649' ' ' ASP . 7.5 mt-10 -43.86 -29.81 0.6 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 1.0 110.308 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 654' ' ' ALA . . . . . 0.713 ' O ' ' N ' ' A' ' 657' ' ' LEU . . . -71.81 -38.25 70.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.434 1.083 . . . . 1.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 655' ' ' GLN . . . . . 0.534 ' N ' ' O ' ' A' ' 652' ' ' ARG . 3.9 pt20 -41.47 -38.2 1.23 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.406 1.066 . . . . 1.0 110.339 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 656' ' ' GLN . . . . . 0.564 ' HG2' ' CD1' ' A' ' 657' ' ' LEU . 4.4 pt20 -66.24 -7.54 19.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 1.0 110.288 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 657' ' ' LEU . . . . . 0.713 ' N ' ' O ' ' A' ' 654' ' ' ALA . 2.3 mp -86.48 -29.46 22.75 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 1.0 109.335 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 658' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -118.08 13.12 7.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 1.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 659' ' ' GLN . . . . . 0.429 ' HB2' ' HA ' ' A' ' 656' ' ' GLN . 0.0 OUTLIER -59.53 -49.22 78.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 1.0 110.314 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 660' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.74 72.73 2.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.557 1.161 . . . . 1.0 110.273 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 661' ' ' VAL . . . . . 0.418 HG22 ' O ' ' A' ' 659' ' ' GLN . 0.0 OUTLIER -98.8 158.11 32.99 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 1.0 109.245 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 662' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 179.23 6.29 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.529 1.805 . . . . 1.0 110.973 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.15 135.46 43.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 1.0 109.256 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 664' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 40.7 90.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 1.0 111.034 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -175.59 -63.36 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 1.0 109.227 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 666' ' ' ASN . . . . . . . . . . . . . 19.0 m-20 72.91 -59.78 0.56 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 1.0 109.292 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 4.1 pttt -174.87 156.8 2.11 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 1.0 109.394 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 668' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -42.16 0.55 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.524 1.802 . . . . 1.0 110.959 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 178.49 156.22 0.43 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 1.0 110.253 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 19.2 p . . . . . 0 C--O 1.25 1.088 0 CA-C-O 116.985 -1.483 . . . . 1.0 110.007 179.969 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.044 0 N-CA-C 111.036 -0.826 . . . . 1.0 111.036 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 553' ' ' SER . . . . . . . . . . . . . 9.9 p -177.48 157.41 1.28 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.491 0.759 . . . . 1.0 110.046 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 554' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -176.48 137.44 0.28 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.596 1.185 . . . . 1.0 109.645 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 555' ' ' MET . . . . . 0.492 ' CE ' ' HD2' ' A' ' 587' ' ' ARG . 0.3 OUTLIER -155.75 47.13 0.49 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.6 1.188 . . . . 1.0 111.077 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . 53.06 171.78 0.03 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.514 1.134 . . . . 1.0 111.016 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.74 69.49 0.92 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 0.772 . . . . 1.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 558' ' ' ASP . . . . . 0.468 ' O ' ' HG3' ' A' ' 585' ' ' PRO . 0.7 OUTLIER -155.26 110.91 3.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.555 1.159 . . . . 1.0 109.265 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 559' ' ' CYS . . . . . . . . . . . . . 19.9 t -68.82 145.47 53.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 1.0 108.281 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 560' ' ' ILE . . . . . 0.814 HD11 ' HA ' ' A' ' 585' ' ' PRO . 29.6 mt -85.18 -62.53 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.522 1.139 . . . . 1.0 109.326 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 561' ' ' MET . . . . . 0.465 ' SD ' ' OE2' ' A' ' 646' ' ' GLU . 0.0 OUTLIER -131.0 135.73 47.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.616 1.197 . . . . 1.0 111.044 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 562' ' ' HIS . . . . . . . . . . . . . 7.0 p-80 -135.98 173.77 11.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 1.0 109.575 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 563' ' ' GLY . . . . . 0.464 ' O ' ' CD1' ' A' ' 580' ' ' TYR . . . 135.93 -172.91 22.11 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.526 1.142 . . . . 1.0 111.013 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 564' ' ' TYR . . . . . 0.454 ' CE1' ' HD3' ' A' ' 578' ' ' ARG . 0.6 OUTLIER -90.09 125.32 35.38 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.507 0.769 . . . . 1.0 110.95 -179.92 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 565' ' ' MET . . . . . 0.602 ' SD ' HD22 ' A' ' 640' ' ' LEU . 0.0 OUTLIER -131.49 -163.13 1.29 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 1.0 110.939 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 566' ' ' SER . . . . . 0.439 ' OG ' ' HB3' ' A' ' 633' ' ' GLN . 0.6 OUTLIER -160.68 140.19 10.79 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.511 1.132 . . . . 1.0 109.998 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 567' ' ' LYS . . . . . 0.614 ' HD2' ' CD1' ' A' ' 630' ' ' PHE . 2.2 tmpt? -161.97 147.55 13.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.574 1.172 . . . . 1.0 109.279 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 568' ' ' MET . . . . . 0.451 ' N ' ' HG2' ' A' ' 567' ' ' LYS . 0.0 OUTLIER -157.95 178.21 10.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 1.0 111.001 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 569' ' ' GLY . . . . . . . . . . . . . . . -179.52 126.2 1.03 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.493 1.12 . . . . 1.0 110.964 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 570' ' ' ASN . . . . . 0.516 ' CB ' ' CD ' ' A' ' 571' ' ' PRO . 1.4 m-20 -169.7 179.16 0.82 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.481 0.754 . . . . 1.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 571' ' ' PRO . . . . . 0.53 ' O ' ' CD1' ' A' ' 572' ' ' PHE . 18.3 Cg_endo -74.9 2.27 6.76 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.482 1.78 . . . . 1.0 111.044 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 572' ' ' PHE . . . . . 0.53 ' CD1' ' O ' ' A' ' 571' ' ' PRO . 9.9 m-85 -148.48 83.57 1.48 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.386 1.054 . . . . 1.0 110.985 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 573' ' ' LEU . . . . . 0.506 HD21 HG21 ' A' ' 631' ' ' ILE . 1.8 tp -82.02 82.49 7.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 1.0 109.351 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 574' ' ' THR . . . . . 0.431 HG23 ' O ' ' A' ' 574' ' ' THR . 0.3 OUTLIER -132.15 1.2 3.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 1.0 110.373 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 575' ' ' GLN . . . . . 0.64 ' O ' ' CD1' ' A' ' 576' ' ' TRP . 26.3 pt20 -115.73 -178.08 3.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 1.0 110.257 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 576' ' ' TRP . . . . . 0.64 ' CD1' ' O ' ' A' ' 575' ' ' GLN . 17.6 m0 -156.03 124.99 6.05 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.0 -1.111 . . . . 1.0 108.0 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 577' ' ' GLN . . . . . 0.424 ' O ' ' HB2' ' A' ' 566' ' ' SER . 3.7 tt0 -120.67 121.75 38.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 1.0 110.273 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 578' ' ' ARG . . . . . 0.454 ' HD3' ' CE1' ' A' ' 564' ' ' TYR . 0.0 OUTLIER -88.26 118.08 27.62 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 1.0 110.324 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 579' ' ' ARG . . . . . 0.541 ' O ' ' O ' ' A' ' 565' ' ' MET . 1.5 mtt-85 -135.63 158.61 43.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 1.0 110.266 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 580' ' ' TYR . . . . . 0.464 ' CD1' ' O ' ' A' ' 563' ' ' GLY . 0.3 OUTLIER -87.08 129.71 34.8 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.521 1.138 . . . . 1.0 111.068 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 581' ' ' PHE . . . . . 0.678 ' CE1' ' CD1' ' A' ' 590' ' ' TRP . 1.7 m-85 -114.57 169.78 8.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.423 1.077 . . . . 1.0 111.101 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 582' ' ' TYR . . . . . 0.451 ' O ' ' HA ' ' A' ' 588' ' ' LEU . 8.7 m-85 -149.99 110.82 4.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 1.0 110.986 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 583' ' ' LEU . . . . . 0.823 ' HB2' ' CZ3' ' A' ' 643' ' ' TRP . 8.8 tp -88.78 111.23 21.77 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.633 1.208 . . . . 1.0 109.229 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 584' ' ' PHE . . . . . 0.504 ' CD2' ' HD2' ' A' ' 585' ' ' PRO . 0.4 OUTLIER -96.97 171.24 6.26 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 1.0 111.073 179.925 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 585' ' ' PRO . . . . . 0.814 ' HA ' HD11 ' A' ' 560' ' ' ILE . 18.0 Cg_endo -75.03 9.38 2.06 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.419 1.747 . . . . 1.0 111.04 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 586' ' ' ASN . . . . . 0.657 ' O ' ' CG ' ' A' ' 603' ' ' MET . 77.0 m-20 -169.14 -46.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 1.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 587' ' ' ARG . . . . . 0.657 ' HA ' ' HA ' ' A' ' 602' ' ' THR . 2.9 mtp180 -91.9 -171.07 2.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 1.0 110.323 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 588' ' ' LEU . . . . . 0.827 ' C ' HD12 ' A' ' 588' ' ' LEU . 0.0 OUTLIER 176.24 113.51 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.539 1.15 . . . . 1.0 109.339 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 589' ' ' GLU . . . . . 0.604 ' N ' HD12 ' A' ' 588' ' ' LEU . 3.3 pm0 -127.49 172.46 10.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 1.0 110.283 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 590' ' ' TRP . . . . . 0.678 ' CD1' ' CE1' ' A' ' 581' ' ' PHE . 0.1 OUTLIER -147.25 116.01 6.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 1.0 108.009 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -105.57 170.23 8.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 1.0 110.276 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . 133.87 -130.05 5.51 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.436 1.085 . . . . 1.0 111.059 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -48.81 172.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 0.787 . . . . 1.0 110.256 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . 111.99 -151.55 17.96 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.424 1.077 . . . . 1.0 111.062 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 595' ' ' GLU . . . . . 0.477 ' O ' ' HB2' ' A' ' 596' ' ' ALA . 0.1 OUTLIER -169.43 27.07 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.532 0.783 . . . . 1.0 110.354 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 596' ' ' ALA . . . . . 0.477 ' HB2' ' O ' ' A' ' 595' ' ' GLU . . . 176.7 155.19 0.42 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 1.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 597' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 101.64 1.49 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.392 1.733 . . . . 1.0 111.002 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 598' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -147.32 50.02 1.09 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.436 1.085 . . . . 1.0 110.313 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 599' ' ' SER . . . . . 0.566 ' OG ' ' CZ2' ' A' ' 590' ' ' TRP . 3.5 m -155.6 71.45 0.76 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 1.0 109.952 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 3.8 pp -139.87 140.21 36.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 1.0 109.312 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 601' ' ' LEU . . . . . 0.684 HD11 ' CD2' ' A' ' 588' ' ' LEU . 4.2 pp -160.83 -178.1 6.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.371 1.044 . . . . 1.0 109.278 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 602' ' ' THR . . . . . 0.657 ' HA ' ' HA ' ' A' ' 587' ' ' ARG . 0.2 OUTLIER -126.73 -151.45 0.48 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.494 1.121 . . . . 1.0 110.37 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 603' ' ' MET . . . . . 0.727 ' SD ' ' HB2' ' A' ' 654' ' ' ALA . 0.0 OUTLIER -133.16 28.72 4.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 1.0 110.991 -179.907 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -123.96 53.19 1.4 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.422 1.076 . . . . 1.0 110.343 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 605' ' ' GLU . . . . . 0.621 ' HB2' HG23 ' A' ' 624' ' ' ILE . 3.5 pt-20 -158.87 -54.18 0.06 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.659 1.225 . . . . 1.0 110.159 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 606' ' ' ILE . . . . . 1.231 HG21 ' CD2' ' A' ' 651' ' ' TYR . 1.2 mp -35.71 128.79 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.438 1.086 . . . . 1.0 109.241 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 607' ' ' GLN . . . . . 0.511 ' HG3' ' HA ' ' A' ' 625' ' ' ARG . 0.0 OUTLIER -84.39 -38.03 20.77 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 1.0 110.222 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 3.6 m -174.91 138.11 0.45 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 1.0 110.038 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 609' ' ' VAL . . . . . 0.793 HG22 ' CD ' ' A' ' 644' ' ' LYS . 5.2 p -103.96 136.71 35.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 1.0 109.246 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 610' ' ' GLU . . . . . 0.709 ' CG ' HD23 ' A' ' 621' ' ' LEU . 0.1 OUTLIER -158.86 157.46 31.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 1.0 110.266 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 611' ' ' GLU . . . . . 0.585 ' HA ' ' HA ' ' A' ' 620' ' ' LEU . 16.0 tt0 -111.34 144.73 40.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 1.0 110.296 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 612' ' ' THR . . . . . 0.69 HG23 ' HG3' ' A' ' 618' ' ' LYS . 0.0 OUTLIER -104.74 163.86 12.19 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.481 1.113 . . . . 1.0 110.467 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 58.7 mt-30 -129.44 163.68 25.32 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.577 1.173 . . . . 1.0 110.32 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 614' ' ' ILE . . . . . 0.785 HG22 ' O ' ' A' ' 614' ' ' ILE . 0.2 OUTLIER -147.86 83.86 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.376 1.048 . . . . 1.0 109.291 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 615' ' ' LYS . . . . . 0.414 ' CB ' ' O ' ' A' ' 614' ' ' ILE . 7.2 mmtm 82.26 -32.34 0.09 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.427 1.079 . . . . 1.0 109.306 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 616' ' ' GLU . . . . . 0.439 ' H ' ' C ' ' A' ' 614' ' ' ILE . 2.3 tt0 -156.56 -49.64 0.07 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.124 . . . . 1.0 110.266 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 617' ' ' ARG . . . . . 0.526 ' NH1' ' OD1' ' A' ' 637' ' ' ASP . 7.0 ttt180 -157.08 139.62 14.91 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.449 1.093 . . . . 1.0 110.312 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 618' ' ' LYS . . . . . 0.69 ' HG3' HG23 ' A' ' 612' ' ' THR . 12.7 tptt -118.48 -98.47 0.45 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 1.0 109.241 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 619' ' ' CYS . . . . . 0.47 ' O ' ' CG ' ' A' ' 611' ' ' GLU . 27.9 m -156.59 -177.2 6.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 1.0 108.236 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 620' ' ' LEU . . . . . 1.07 HD13 ' CD1' ' A' ' 640' ' ' LEU . 0.2 OUTLIER -96.38 148.43 22.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.441 1.088 . . . . 1.0 109.331 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 621' ' ' LEU . . . . . 0.709 HD23 ' CG ' ' A' ' 610' ' ' GLU . 0.1 OUTLIER -112.88 161.0 17.47 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 1.0 109.305 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 622' ' ' LEU . . . . . 1.001 ' CD1' HD11 ' A' ' 632' ' ' LEU . 9.1 mt -154.21 87.81 1.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 1.0 109.303 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 623' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.28 136.21 33.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 1.0 109.331 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 624' ' ' ILE . . . . . 0.938 HG22 ' H ' ' A' ' 626' ' ' GLY . 58.9 mt -104.4 143.81 15.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 O-C-N 124.479 1.112 . . . . 1.0 109.285 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 625' ' ' ARG . . . . . 0.511 ' HA ' ' HG3' ' A' ' 607' ' ' GLN . 0.5 OUTLIER -77.34 2.71 15.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.598 1.186 . . . . 1.0 110.38 179.937 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 626' ' ' GLY . . . . . 0.938 ' H ' HG22 ' A' ' 624' ' ' ILE . . . -90.78 -24.04 28.9 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.498 1.124 . . . . 1.0 111.024 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 118.14 45.79 0.48 Allowed Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.02 -0.832 . . . . 1.0 111.02 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 628' ' ' LYS . . . . . . . . . . . . . 1.6 mtmm -147.45 168.6 21.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 0.766 . . . . 1.0 109.274 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 58.6 mt-30 -139.16 157.46 45.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 1.0 110.311 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 630' ' ' PHE . . . . . 0.614 ' CD1' ' HD2' ' A' ' 567' ' ' LYS . 0.8 OUTLIER -142.27 148.65 38.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.572 1.17 . . . . 1.0 110.976 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 631' ' ' ILE . . . . . 0.565 ' O ' HG22 ' A' ' 631' ' ' ILE . 0.2 OUTLIER -128.83 104.54 11.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.519 1.137 . . . . 1.0 109.296 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 632' ' ' LEU . . . . . 1.001 HD11 ' CD1' ' A' ' 622' ' ' LEU . 1.1 mp -90.52 154.98 19.22 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.105 . . . . 1.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 633' ' ' GLN . . . . . 0.449 ' HB2' ' SG ' ' A' ' 619' ' ' CYS . 1.0 OUTLIER -156.34 145.73 20.71 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.4 1.062 . . . . 1.0 110.269 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 634' ' ' CYS . . . . . 0.568 ' HB2' HD23 ' A' ' 640' ' ' LEU . 0.5 OUTLIER -153.98 152.44 30.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.396 1.06 . . . . 1.0 108.299 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 635' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -76.0 -16.69 59.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 1.0 109.263 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 636' ' ' SER . . . . . 0.475 ' CB ' ' HB2' ' A' ' 639' ' ' GLU . 0.4 OUTLIER -93.27 146.22 23.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 1.0 110.013 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 637' ' ' ASP . . . . . 0.684 ' N ' ' CD ' ' A' ' 638' ' ' PRO . 5.3 m-20 -81.42 -40.9 1.06 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 1.0 109.296 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 638' ' ' PRO . . . . . 0.684 ' CD ' ' N ' ' A' ' 637' ' ' ASP . 18.7 Cg_endo -74.86 -55.34 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.446 1.761 . . . . 1.0 111.064 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 639' ' ' GLU . . . . . 0.588 ' C ' ' O ' ' A' ' 638' ' ' PRO . 6.3 tp10 -22.2 -76.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 1.0 110.233 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 640' ' ' LEU . . . . . 1.07 ' CD1' HD13 ' A' ' 620' ' ' LEU . 0.1 OUTLIER -52.86 -52.48 57.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.553 1.158 . . . . 1.0 109.269 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 641' ' ' VAL . . . . . 0.585 HG12 ' N ' ' A' ' 642' ' ' GLN . 0.6 OUTLIER -42.66 -55.6 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 1.0 109.25 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 642' ' ' GLN . . . . . 0.585 ' N ' HG12 ' A' ' 641' ' ' VAL . 0.0 OUTLIER -65.62 -38.58 89.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.438 1.086 . . . . 1.0 110.297 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 643' ' ' TRP . . . . . 0.823 ' CZ3' ' HB2' ' A' ' 583' ' ' LEU . 16.8 m95 -56.86 -46.61 81.69 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.569 1.168 . . . . 1.0 108.019 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 644' ' ' LYS . . . . . 0.882 ' HE2' HD11 ' A' ' 620' ' ' LEU . 1.8 ttpt -58.26 -56.65 19.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.594 1.184 . . . . 1.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 6.8 tmtm? -40.99 -51.22 3.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 1.0 109.297 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 646' ' ' GLU . . . . . 0.6 ' CB ' HD23 ' A' ' 583' ' ' LEU . 0.3 OUTLIER -72.82 -32.31 65.43 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.514 1.133 . . . . 1.0 110.226 -179.94 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 647' ' ' LEU . . . . . 0.618 ' HG ' HD21 ' A' ' 583' ' ' LEU . 0.5 OUTLIER -69.13 -62.73 1.26 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 1.0 109.286 -179.943 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 648' ' ' ARG . . . . . 0.57 ' HG3' ' CG1' ' A' ' 609' ' ' VAL . 1.4 ttt180 -41.49 -50.6 3.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.436 1.085 . . . . 1.0 110.265 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 649' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -61.98 -53.39 56.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 1.0 109.31 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 650' ' ' ALA . . . . . 0.538 ' O ' ' SD ' ' A' ' 603' ' ' MET . . . -41.57 -53.02 3.61 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.588 1.18 . . . . 1.0 109.391 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 651' ' ' TYR . . . . . 1.231 ' CD2' HG21 ' A' ' 606' ' ' ILE . 10.2 m-30 -69.85 -43.35 72.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 1.0 111.025 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 652' ' ' ARG . . . . . 0.5 ' O ' ' HB2' ' A' ' 655' ' ' GLN . 11.4 mmm180 -58.02 -64.82 0.78 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 1.0 110.282 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 653' ' ' GLU . . . . . 0.625 ' O ' HD13 ' A' ' 657' ' ' LEU . 0.0 OUTLIER -40.91 -53.41 2.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.436 1.085 . . . . 1.0 110.281 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 654' ' ' ALA . . . . . 0.727 ' HB2' ' SD ' ' A' ' 603' ' ' MET . . . -47.34 -38.68 13.35 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.487 1.117 . . . . 1.0 109.333 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 655' ' ' GLN . . . . . 0.5 ' HB2' ' O ' ' A' ' 652' ' ' ARG . 64.5 mt-30 -67.08 -65.3 0.7 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 1.0 110.323 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 656' ' ' GLN . . . . . 0.471 ' CG ' ' HA ' ' A' ' 653' ' ' GLU . 2.4 pt20 -56.74 -19.13 15.25 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.522 1.139 . . . . 1.0 110.379 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 657' ' ' LEU . . . . . 0.625 HD13 ' O ' ' A' ' 653' ' ' GLU . 8.9 mp -87.96 -30.56 19.94 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 124.511 1.132 . . . . 1.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 658' ' ' VAL . . . . . 0.454 HG13 ' O ' ' A' ' 658' ' ' VAL . 0.5 OUTLIER -106.02 15.36 7.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 1.0 109.259 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 659' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 655' ' ' GLN . 3.2 mt-30 -84.24 47.97 1.42 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.569 1.168 . . . . 1.0 110.262 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 660' ' ' ARG . . . . . . . . . . . . . 4.2 ttp85 -86.99 14.94 6.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 1.0 110.316 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 661' ' ' VAL . . . . . . . . . . . . . 7.6 p -134.34 114.49 12.5 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.597 1.186 . . . . 1.0 109.329 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 662' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 -171.68 1.05 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.514 1.797 . . . . 1.0 111.063 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.01 -55.72 17.32 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.575 1.172 . . . . 1.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 664' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -64.97 178.47 0.82 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 1.0 111.031 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 665' ' ' LYS . . . . . 0.41 ' O ' ' CB ' ' A' ' 666' ' ' ASN . 0.0 OUTLIER -65.06 -58.68 5.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.43 1.081 . . . . 1.0 109.272 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 666' ' ' ASN . . . . . 0.41 ' CB ' ' O ' ' A' ' 665' ' ' LYS . 30.1 t-20 75.14 -58.55 0.57 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 1.0 109.263 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.59 70.97 1.65 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 1.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 668' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 56.33 4.22 Favored 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.57 1.827 . . . . 1.0 111.021 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -166.54 118.01 0.98 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.444 1.09 . . . . 1.0 110.298 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 11.7 p . . . . . 0 C--O 1.249 1.043 0 CA-C-O 117.051 -1.452 . . . . 1.0 110.007 179.98 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.073 0 N-CA-C 110.979 -0.848 . . . . 1.0 110.979 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 553' ' ' SER . . . . . . . . . . . . . 32.8 p -178.39 99.63 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.533 0.784 . . . . 1.0 110.0 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 554' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -175.16 165.28 3.38 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.596 1.185 . . . . 1.0 109.678 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 555' ' ' MET . . . . . . . . . . . . . 2.0 mpp? -122.26 164.03 18.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 1.0 110.963 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . -79.31 -171.03 40.47 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.54 1.15 . . . . 1.0 111.011 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 12.4 tttt -144.23 60.53 1.35 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.42 0.718 . . . . 1.0 109.271 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 558' ' ' ASP . . . . . 0.493 ' O ' ' CE2' ' A' ' 584' ' ' PHE . 0.1 OUTLIER -118.1 -95.16 0.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.417 1.073 . . . . 1.0 109.233 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 559' ' ' CYS . . . . . . . . . . . . . 45.1 t -156.36 151.1 25.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 1.0 108.345 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 560' ' ' ILE . . . . . 0.678 HD11 ' HA ' ' A' ' 585' ' ' PRO . 34.1 mt -97.59 -57.52 4.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 1.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 561' ' ' MET . . . . . 0.679 ' HE1' ' OE1' ' A' ' 642' ' ' GLN . 0.0 OUTLIER -145.54 149.93 35.49 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.554 1.159 . . . . 1.0 111.015 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 562' ' ' HIS . . . . . . . . . . . . . 1.5 p80 -144.72 148.7 34.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 1.0 109.607 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 563' ' ' GLY . . . . . . . . . . . . . . . 170.06 -168.57 41.51 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.487 1.117 . . . . 1.0 110.995 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 564' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -97.1 125.53 41.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 0.745 . . . . 1.0 110.992 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 565' ' ' MET . . . . . 0.627 ' SD ' ' CD2' ' A' ' 640' ' ' LEU . 1.3 mtm -130.55 -176.64 4.04 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.442 1.089 . . . . 1.0 111.015 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 566' ' ' SER . . . . . 0.472 ' O ' ' N ' ' A' ' 633' ' ' GLN . 0.6 OUTLIER -154.9 101.83 2.3 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.532 1.145 . . . . 1.0 110.002 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 567' ' ' LYS . . . . . 0.568 ' HG2' ' O ' ' A' ' 631' ' ' ILE . 5.9 tmmm? -121.15 159.72 25.23 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.558 1.161 . . . . 1.0 109.244 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 568' ' ' MET . . . . . 0.422 ' N ' ' HD2' ' A' ' 567' ' ' LYS . 0.0 OUTLIER -171.87 175.17 3.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 1.0 110.951 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 569' ' ' GLY . . . . . 0.419 ' C ' ' CG ' ' A' ' 570' ' ' ASN . . . -173.2 121.39 0.86 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.488 1.118 . . . . 1.0 110.981 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 570' ' ' ASN . . . . . 0.581 ' CB ' ' CD ' ' A' ' 571' ' ' PRO . 0.0 OUTLIER -166.3 -177.66 0.61 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.538 0.787 . . . . 1.0 109.34 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 571' ' ' PRO . . . . . 0.581 ' CD ' ' CB ' ' A' ' 570' ' ' ASN . 18.0 Cg_endo -75.05 13.71 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.487 1.783 . . . . 1.0 110.913 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 572' ' ' PHE . . . . . 0.547 ' CE2' ' HG2' ' A' ' 571' ' ' PRO . 10.4 m-85 -141.36 88.01 2.12 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.427 1.079 . . . . 1.0 110.997 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -83.8 86.64 7.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 1.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 574' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -157.49 -30.7 0.08 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.446 1.091 . . . . 1.0 110.439 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 575' ' ' GLN . . . . . 0.607 ' O ' ' CD1' ' A' ' 576' ' ' TRP . 12.6 pt20 -95.6 164.13 12.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.478 1.111 . . . . 1.0 110.265 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 576' ' ' TRP . . . . . 0.607 ' CD1' ' O ' ' A' ' 575' ' ' GLN . 1.8 m-90 -146.34 136.04 23.22 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.002 -1.11 . . . . 1.0 108.002 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 577' ' ' GLN . . . . . 0.479 ' HG2' ' CG ' ' A' ' 579' ' ' ARG . 24.4 tt0 -101.69 118.3 36.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.598 1.186 . . . . 1.0 110.338 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 578' ' ' ARG . . . . . 0.412 ' C ' ' HG2' ' A' ' 579' ' ' ARG . 0.0 OUTLIER -83.95 104.22 13.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 1.0 110.201 -179.927 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 579' ' ' ARG . . . . . 0.5 ' O ' ' O ' ' A' ' 565' ' ' MET . 1.1 mmm180 -136.44 164.97 26.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 1.0 110.281 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 580' ' ' TYR . . . . . 0.416 ' N ' ' O ' ' A' ' 591' ' ' ARG . 0.8 OUTLIER -88.3 127.43 35.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.143 . . . . 1.0 110.963 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 581' ' ' PHE . . . . . 0.553 ' CE2' ' HB3' ' A' ' 590' ' ' TRP . 6.8 m-85 -113.44 165.31 12.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 1.0 111.039 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 582' ' ' TYR . . . . . 0.488 ' O ' ' HA ' ' A' ' 588' ' ' LEU . 0.6 OUTLIER -144.1 116.62 8.61 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.51 1.131 . . . . 1.0 111.018 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 583' ' ' LEU . . . . . 0.837 ' HB2' ' CZ3' ' A' ' 643' ' ' TRP . 6.8 tp -91.59 114.14 26.59 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.475 1.11 . . . . 1.0 109.268 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 584' ' ' PHE . . . . . 0.526 ' CD2' ' HD2' ' A' ' 585' ' ' PRO . 0.3 OUTLIER -106.49 168.21 8.47 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 1.0 111.077 179.936 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 585' ' ' PRO . . . . . 0.678 ' HA ' HD11 ' A' ' 560' ' ' ILE . 18.1 Cg_endo -75.02 22.78 0.41 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.553 1.818 . . . . 1.0 111.017 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 586' ' ' ASN . . . . . 0.798 ' O ' HG22 ' A' ' 602' ' ' THR . 0.4 OUTLIER 174.55 -46.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 1.0 109.303 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 587' ' ' ARG . . . . . 0.543 ' HA ' ' HA ' ' A' ' 602' ' ' THR . 0.0 OUTLIER -90.82 -174.06 3.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 1.0 110.286 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 588' ' ' LEU . . . . . 0.488 ' HA ' ' O ' ' A' ' 582' ' ' TYR . 0.1 OUTLIER 178.94 119.98 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 1.0 109.29 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 589' ' ' GLU . . . . . 0.478 ' N ' HD12 ' A' ' 588' ' ' LEU . 0.5 OUTLIER -109.88 157.41 19.26 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.453 1.095 . . . . 1.0 110.321 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 590' ' ' TRP . . . . . 0.553 ' HB3' ' CE2' ' A' ' 581' ' ' PHE . 6.4 p-90 -151.43 105.3 3.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 1.0 108.005 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 591' ' ' ARG . . . . . 0.441 ' NE ' ' HB3' ' A' ' 598' ' ' GLN . 0.8 OUTLIER -149.03 -171.24 3.83 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.509 1.13 . . . . 1.0 110.254 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . -102.04 -123.04 5.16 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.426 1.079 . . . . 1.0 110.974 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.4 128.72 34.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.374 0.691 . . . . 1.0 110.263 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . 131.57 -135.94 8.5 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.506 1.129 . . . . 1.0 110.987 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 595' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 168.64 30.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.611 0.83 . . . . 1.0 110.304 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . -90.42 155.48 46.29 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.466 1.104 . . . . 1.0 109.264 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 597' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 126.95 10.3 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.521 1.8 . . . . 1.0 110.992 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 598' ' ' GLN . . . . . 0.441 ' HB3' ' NE ' ' A' ' 591' ' ' ARG . 4.6 tt0 -156.04 -75.07 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 1.0 110.339 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 599' ' ' SER . . . . . 0.516 ' HB3' ' CE2' ' A' ' 590' ' ' TRP . 53.1 m -108.44 98.51 8.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.57 1.169 . . . . 1.0 109.935 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -128.86 149.38 50.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 1.0 109.24 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 601' ' ' LEU . . . . . 0.481 ' O ' ' N ' ' A' ' 588' ' ' LEU . 6.8 tp -150.37 156.42 41.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 1.0 109.301 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 602' ' ' THR . . . . . 0.798 HG22 ' O ' ' A' ' 586' ' ' ASN . 0.2 OUTLIER -95.18 -165.95 1.38 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.423 1.077 . . . . 1.0 110.339 -179.9 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 603' ' ' MET . . . . . 0.682 ' CG ' ' HA ' ' A' ' 586' ' ' ASN . 0.1 OUTLIER -128.23 33.95 4.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.408 1.068 . . . . 1.0 111.003 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 604' ' ' GLU . . . . . 0.429 ' HB3' ' HB1' ' A' ' 654' ' ' ALA . 8.8 pt-20 -124.65 58.1 1.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 1.0 110.328 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 605' ' ' GLU . . . . . 0.502 ' O ' ' C ' ' A' ' 606' ' ' ILE . 2.7 pt-20 -158.9 -51.75 0.06 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.62 1.2 . . . . 1.0 110.272 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 606' ' ' ILE . . . . . 1.355 HG21 ' CD2' ' A' ' 651' ' ' TYR . 0.9 OUTLIER -32.74 137.4 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.527 1.142 . . . . 1.0 109.257 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 607' ' ' GLN . . . . . 0.577 ' HG3' ' HA ' ' A' ' 625' ' ' ARG . 0.0 OUTLIER -92.28 -37.38 12.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 1.0 110.363 179.937 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 608' ' ' SER . . . . . 0.403 ' HB2' ' HD3' ' A' ' 623' ' ' LYS . 1.1 m -173.97 133.06 0.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 1.0 109.956 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 609' ' ' VAL . . . . . 0.946 HG22 ' CD ' ' A' ' 644' ' ' LYS . 3.2 p -104.65 141.01 21.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 1.0 109.329 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 610' ' ' GLU . . . . . 0.89 ' CD ' HD23 ' A' ' 621' ' ' LEU . 0.5 OUTLIER -159.9 -170.83 3.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 1.0 110.246 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 611' ' ' GLU . . . . . 0.657 ' HA ' ' HA ' ' A' ' 620' ' ' LEU . 24.2 tt0 -141.19 145.04 35.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 1.0 110.323 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 612' ' ' THR . . . . . 0.913 HG23 ' HG3' ' A' ' 618' ' ' LYS . 0.0 OUTLIER -108.77 167.23 10.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 1.0 110.452 179.932 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 13.1 mp0 -132.06 158.57 41.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 1.0 110.285 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 614' ' ' ILE . . . . . 0.801 HG22 ' O ' ' A' ' 614' ' ' ILE . 0.2 OUTLIER -142.96 84.56 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 1.0 109.355 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 615' ' ' LYS . . . . . 0.424 ' HB2' ' O ' ' A' ' 614' ' ' ILE . 4.6 mmtm 82.39 -34.59 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 1.0 109.326 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 616' ' ' GLU . . . . . 0.433 ' H ' ' C ' ' A' ' 614' ' ' ILE . 3.2 tt0 -156.33 -47.47 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 1.0 110.336 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 4.7 ttm180 -154.7 138.09 15.85 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 1.0 110.244 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 618' ' ' LYS . . . . . 0.913 ' HG3' HG23 ' A' ' 612' ' ' THR . 6.9 tptt -118.15 -97.97 0.46 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 1.0 109.225 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 619' ' ' CYS . . . . . 0.494 ' O ' ' CG ' ' A' ' 611' ' ' GLU . 25.7 m -157.75 -175.88 5.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 1.0 108.344 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 620' ' ' LEU . . . . . 1.059 ' CD1' HD12 ' A' ' 640' ' ' LEU . 0.2 OUTLIER -100.05 137.1 38.96 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.575 1.172 . . . . 1.0 109.315 179.942 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 621' ' ' LEU . . . . . 0.89 HD23 ' CD ' ' A' ' 610' ' ' GLU . 3.0 tp -92.44 159.61 15.46 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.566 1.166 . . . . 1.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 622' ' ' LEU . . . . . 1.042 HD12 HD11 ' A' ' 632' ' ' LEU . 1.0 OUTLIER -157.53 87.87 0.97 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.527 1.142 . . . . 1.0 109.331 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 623' ' ' LYS . . . . . 0.403 ' HD3' ' HB2' ' A' ' 608' ' ' SER . 0.0 OUTLIER -91.79 137.64 32.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.446 1.091 . . . . 1.0 109.229 -179.904 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 624' ' ' ILE . . . . . 0.965 HG22 ' H ' ' A' ' 626' ' ' GLY . 64.7 mt -106.32 143.79 16.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 1.0 109.413 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 625' ' ' ARG . . . . . 0.577 ' HA ' ' HG3' ' A' ' 607' ' ' GLN . 2.9 ptm180 -79.21 3.32 18.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.568 1.168 . . . . 1.0 110.243 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 626' ' ' GLY . . . . . 0.965 ' H ' HG22 ' A' ' 624' ' ' ILE . . . -89.78 -22.38 36.57 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.525 1.141 . . . . 1.0 111.063 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 116.99 43.75 0.6 Allowed Glycine 0 CA--C 1.53 0.974 0 N-CA-C 110.941 -0.864 . . . . 1.0 110.941 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 628' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -145.3 168.46 20.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 0.779 . . . . 1.0 109.191 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 8.5 mp0 -146.38 141.0 26.77 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.574 1.171 . . . . 1.0 110.321 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 630' ' ' PHE . . . . . 0.521 ' CD1' ' HD3' ' A' ' 567' ' ' LYS . 1.7 m-85 -134.54 162.81 31.24 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.474 1.109 . . . . 1.0 110.942 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 631' ' ' ILE . . . . . 0.568 ' O ' ' HG2' ' A' ' 567' ' ' LYS . 0.2 OUTLIER -138.67 113.05 7.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.099 . . . . 1.0 109.282 -179.94 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 632' ' ' LEU . . . . . 1.042 HD11 HD12 ' A' ' 622' ' ' LEU . 1.5 mp -86.04 157.54 20.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 1.0 109.344 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 633' ' ' GLN . . . . . 0.472 ' N ' ' O ' ' A' ' 566' ' ' SER . 7.2 tp60 -155.82 140.4 16.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 1.0 110.308 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 634' ' ' CYS . . . . . 0.406 ' HB2' HD23 ' A' ' 640' ' ' LEU . 0.5 OUTLIER -153.43 159.99 42.49 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.595 1.184 . . . . 1.0 108.361 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 635' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -83.61 -17.94 39.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.54 1.15 . . . . 1.0 109.314 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 636' ' ' SER . . . . . 0.598 ' HB2' ' CG ' ' A' ' 639' ' ' GLU . 7.4 m -91.24 150.93 21.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.42 1.075 . . . . 1.0 109.928 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 637' ' ' ASP . . . . . 0.677 ' N ' ' CD ' ' A' ' 638' ' ' PRO . 0.2 OUTLIER -87.19 -41.87 0.53 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.401 1.063 . . . . 1.0 109.317 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 638' ' ' PRO . . . . . 0.677 ' CD ' ' N ' ' A' ' 637' ' ' ASP . 18.0 Cg_endo -75.03 -58.94 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.222 0 O-C-N 124.537 1.809 . . . . 1.0 110.936 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 639' ' ' GLU . . . . . 0.606 ' C ' ' O ' ' A' ' 638' ' ' PRO . 10.3 mm-40 -20.92 -78.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.089 . . . . 1.0 110.291 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 640' ' ' LEU . . . . . 1.059 HD12 ' CD1' ' A' ' 620' ' ' LEU . 0.1 OUTLIER -51.04 -54.04 28.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.556 1.16 . . . . 1.0 109.236 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 641' ' ' VAL . . . . . 0.619 HG12 ' N ' ' A' ' 642' ' ' GLN . 0.9 OUTLIER -41.48 -57.75 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 1.0 109.298 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 642' ' ' GLN . . . . . 0.679 ' OE1' ' HE1' ' A' ' 561' ' ' MET . 21.9 mt-30 -61.02 -40.5 93.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 1.0 110.347 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 643' ' ' TRP . . . . . 0.837 ' CZ3' ' HB2' ' A' ' 583' ' ' LEU . 12.7 m95 -52.84 -49.89 64.83 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.024 -1.102 . . . . 1.0 108.024 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 644' ' ' LYS . . . . . 0.946 ' CD ' HG22 ' A' ' 609' ' ' VAL . 0.5 OUTLIER -53.12 -57.48 10.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 1.0 109.349 179.953 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 9.9 tmtt? -40.1 -54.97 2.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.158 . . . . 1.0 109.173 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 646' ' ' GLU . . . . . 0.602 ' HG2' HG22 ' A' ' 560' ' ' ILE . 0.6 OUTLIER -69.76 -30.26 67.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 1.0 110.283 -179.918 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 647' ' ' LEU . . . . . 0.934 HD22 ' CZ ' ' A' ' 651' ' ' TYR . 2.4 mt -71.14 -62.76 1.28 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.485 1.116 . . . . 1.0 109.239 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 648' ' ' ARG . . . . . 0.553 ' N ' ' O ' ' A' ' 644' ' ' LYS . 2.0 ttp180 -37.73 -54.4 1.22 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.523 1.14 . . . . 1.0 110.287 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 649' ' ' ASP . . . . . 0.409 ' O ' ' N ' ' A' ' 653' ' ' GLU . 0.4 OUTLIER -61.57 -43.11 99.47 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.523 1.139 . . . . 1.0 109.368 179.937 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 650' ' ' ALA . . . . . 0.49 ' HB1' ' SD ' ' A' ' 603' ' ' MET . . . -51.23 -47.91 62.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 1.0 109.266 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 651' ' ' TYR . . . . . 1.355 ' CD2' HG21 ' A' ' 606' ' ' ILE . 13.9 m-30 -75.41 -39.42 59.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.424 1.078 . . . . 1.0 110.949 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 652' ' ' ARG . . . . . 0.495 ' O ' ' HB2' ' A' ' 655' ' ' GLN . 36.5 mtp85 -63.22 -63.02 1.31 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.449 1.093 . . . . 1.0 110.289 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 653' ' ' GLU . . . . . 0.659 ' O ' HD13 ' A' ' 657' ' ' LEU . 0.8 OUTLIER -45.48 -53.33 9.01 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.401 1.063 . . . . 1.0 110.317 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 654' ' ' ALA . . . . . 0.429 ' HB1' ' HB3' ' A' ' 604' ' ' GLU . . . -48.6 -36.39 15.62 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.546 1.153 . . . . 1.0 109.318 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 655' ' ' GLN . . . . . 0.65 ' HA ' HG12 ' A' ' 658' ' ' VAL . 62.7 mt-30 -72.34 -66.84 0.6 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 1.0 110.31 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 656' ' ' GLN . . . . . 0.577 ' CG ' ' HA ' ' A' ' 653' ' ' GLU . 3.7 pt20 -51.45 -21.21 2.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 1.0 110.304 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 657' ' ' LEU . . . . . 0.659 HD13 ' O ' ' A' ' 653' ' ' GLU . 8.9 mp -87.23 -25.96 23.75 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.115 . . . . 1.0 109.338 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 658' ' ' VAL . . . . . 0.65 HG12 ' HA ' ' A' ' 655' ' ' GLN . 4.0 p -109.25 14.92 8.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 1.0 109.308 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 659' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' A' ' 655' ' ' GLN . 1.4 mt-30 -82.82 -38.34 23.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 1.0 110.354 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 660' ' ' ARG . . . . . 0.437 ' O ' ' C ' ' A' ' 661' ' ' VAL . 0.0 OUTLIER -80.35 6.13 12.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 1.0 110.406 179.911 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 661' ' ' VAL . . . . . 0.437 ' C ' ' O ' ' A' ' 660' ' ' ARG . 5.6 p 37.85 66.83 2.23 Favored Pre-proline 0 C--N 1.326 -0.419 0 O-C-N 124.502 1.126 . . . . 1.0 109.258 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 662' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.13 53.88 3.53 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.467 1.772 . . . . 1.0 111.012 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 3.5 ttpp -149.36 -52.87 0.16 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.563 1.164 . . . . 1.0 109.253 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 664' ' ' MET . . . . . 0.484 ' O ' ' CB ' ' A' ' 665' ' ' LYS . 0.0 OUTLIER -123.35 115.53 21.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 1.0 111.066 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 665' ' ' LYS . . . . . 0.484 ' CB ' ' O ' ' A' ' 664' ' ' MET . 0.8 OUTLIER 86.0 -50.98 0.07 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 1.0 109.295 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 666' ' ' ASN . . . . . . . . . . . . . 1.7 m120 70.54 -61.46 0.47 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.432 1.082 . . . . 1.0 109.305 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 10.5 tmtt? 67.85 116.29 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 1.0 109.215 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 668' ' ' PRO . . . . . 0.497 ' O ' ' CG ' ' A' ' 669' ' ' ARG . 18.4 Cg_endo -74.97 55.76 4.03 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.473 1.775 . . . . 1.0 110.961 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 669' ' ' ARG . . . . . 0.497 ' CG ' ' O ' ' A' ' 668' ' ' PRO . 9.2 ptt-85 45.12 -169.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.554 1.159 . . . . 1.0 110.361 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 45.2 t . . . . . 0 C--O 1.25 1.115 0 CA-C-O 117.026 -1.464 . . . . 1.0 109.968 -179.948 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.052 0 N-CA-C 111.036 -0.825 . . . . 1.0 111.036 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 553' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -166.39 165.16 17.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.596 0.821 . . . . 1.0 109.98 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 554' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER 66.57 159.35 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 1.0 109.597 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 555' ' ' MET . . . . . 0.492 ' HB2' ' CG ' ' A' ' 586' ' ' ASN . 11.3 mmt -153.24 91.67 1.54 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.483 1.114 . . . . 1.0 110.916 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . 45.11 -159.77 0.16 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.534 1.146 . . . . 1.0 111.024 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 20.1 tttt -143.68 79.26 1.62 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.389 0.699 . . . . 1.0 109.354 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 558' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -149.73 107.65 3.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 1.0 109.283 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 559' ' ' CYS . . . . . 0.523 ' HG ' ' HD1' ' A' ' 584' ' ' PHE . 3.2 t -69.41 139.25 54.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.577 1.173 . . . . 1.0 108.309 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 560' ' ' ILE . . . . . 0.69 ' HB ' ' CD2' ' A' ' 583' ' ' LEU . 3.9 mt -90.41 -57.0 4.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 1.0 109.253 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 561' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.13 146.1 30.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 1.0 111.047 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 562' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -148.7 152.16 36.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 1.0 109.589 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 563' ' ' GLY . . . . . . . . . . . . . . . 157.08 -158.9 29.23 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.485 1.116 . . . . 1.0 110.996 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 564' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -88.15 126.92 35.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 0.752 . . . . 1.0 110.992 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 565' ' ' MET . . . . . 0.643 ' O ' ' O ' ' A' ' 579' ' ' ARG . 0.0 OUTLIER -144.47 134.29 23.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 1.0 111.004 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 566' ' ' SER . . . . . 0.517 ' O ' ' N ' ' A' ' 633' ' ' GLN . 0.2 OUTLIER -101.97 114.04 27.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.115 . . . . 1.0 110.044 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 567' ' ' LYS . . . . . 0.586 ' HB2' HD23 ' A' ' 632' ' ' LEU . 7.7 tttt -153.43 138.97 17.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 1.0 109.27 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 568' ' ' MET . . . . . 0.469 ' N ' ' HG2' ' A' ' 567' ' ' LYS . 0.0 OUTLIER 170.45 -160.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.09 . . . . 1.0 110.994 179.912 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 569' ' ' GLY . . . . . . . . . . . . . . . 64.42 140.39 0.02 OUTLIER Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.415 1.072 . . . . 1.0 111.008 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 570' ' ' ASN . . . . . 0.746 ' CB ' ' HD3' ' A' ' 571' ' ' PRO . 0.4 OUTLIER -148.01 -63.96 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.524 0.779 . . . . 1.0 109.357 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 571' ' ' PRO . . . . . 0.746 ' HD3' ' CB ' ' A' ' 570' ' ' ASN . 18.4 Cg_endo -74.95 -32.26 5.61 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.555 1.818 . . . . 1.0 110.978 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 572' ' ' PHE . . . . . 0.473 ' CE2' ' HG2' ' A' ' 571' ' ' PRO . 1.4 m-85 -127.54 81.81 2.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.607 1.192 . . . . 1.0 110.944 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 573' ' ' LEU . . . . . 0.489 HD21 ' HB ' ' A' ' 631' ' ' ILE . 1.2 tp -83.88 85.35 7.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.431 1.082 . . . . 1.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 574' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -131.41 -41.69 1.08 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.504 1.127 . . . . 1.0 110.39 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 25.8 pt20 -128.25 150.23 50.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 1.0 110.329 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 576' ' ' TRP . . . . . 0.457 ' CE3' ' HG3' ' A' ' 633' ' ' GLN . 1.1 m-90 -111.51 175.84 5.26 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 107.951 -1.129 . . . . 1.0 107.951 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 577' ' ' GLN . . . . . 0.424 ' O ' ' HB2' ' A' ' 566' ' ' SER . 1.4 mm-40 -143.58 140.68 30.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.568 1.168 . . . . 1.0 110.234 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 578' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -83.93 118.66 24.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.569 1.168 . . . . 1.0 110.256 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 579' ' ' ARG . . . . . 0.643 ' O ' ' O ' ' A' ' 565' ' ' MET . 48.4 mtp180 -142.77 162.71 34.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 1.0 110.305 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 580' ' ' TYR . . . . . 0.41 ' CD1' ' HE1' ' A' ' 582' ' ' TYR . 0.2 OUTLIER -88.73 119.71 29.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.452 1.095 . . . . 1.0 111.027 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 581' ' ' PHE . . . . . 0.564 ' CZ ' ' HB3' ' A' ' 590' ' ' TRP . 4.7 m-85 -119.12 155.79 30.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 1.0 111.054 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 582' ' ' TYR . . . . . 0.458 ' O ' ' HA ' ' A' ' 588' ' ' LEU . 7.2 m-85 -136.05 117.89 15.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 1.0 111.037 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 583' ' ' LEU . . . . . 0.861 HD12 ' HG ' ' A' ' 647' ' ' LEU . 6.5 tt -89.05 119.68 29.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 1.0 109.271 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 584' ' ' PHE . . . . . 0.633 ' CD2' ' HD2' ' A' ' 585' ' ' PRO . 0.2 OUTLIER -110.6 -176.74 0.41 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.402 1.064 . . . . 1.0 110.989 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 585' ' ' PRO . . . . . 0.633 ' HD2' ' CD2' ' A' ' 584' ' ' PHE . 18.2 Cg_endo -75.07 7.99 2.64 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.542 1.811 . . . . 1.0 110.98 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 586' ' ' ASN . . . . . 0.681 ' HA ' ' CG ' ' A' ' 603' ' ' MET . 7.3 p-10 173.73 -33.07 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.145 . . . . 1.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 587' ' ' ARG . . . . . 0.762 ' O ' ' HE1' ' A' ' 603' ' ' MET . 14.9 mtp180 -89.71 173.79 8.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 1.0 110.311 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 588' ' ' LEU . . . . . 0.513 ' CB ' ' HE1' ' A' ' 603' ' ' MET . 0.1 OUTLIER -169.53 131.38 1.14 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.43 1.082 . . . . 1.0 109.304 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 589' ' ' GLU . . . . . 0.478 ' N ' HD12 ' A' ' 588' ' ' LEU . 0.8 OUTLIER -116.65 150.21 38.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 1.0 110.3 179.94 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 590' ' ' TRP . . . . . 0.59 ' NE1' HD23 ' A' ' 601' ' ' LEU . 0.6 OUTLIER -143.61 87.98 1.97 Allowed 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 107.912 -1.144 . . . . 1.0 107.912 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 1.3 mmt180 -103.59 178.82 4.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.125 . . . . 1.0 110.246 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . 155.91 -172.15 33.86 Favored Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.507 1.129 . . . . 1.0 111.051 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -81.08 165.67 21.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 0.734 . . . . 1.0 110.344 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . 38.83 79.43 0.04 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.449 1.093 . . . . 1.0 110.959 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 595' ' ' GLU . . . . . . . . . . . . . 20.0 tp10 -177.73 164.44 1.98 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 0.747 . . . . 1.0 110.377 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 596' ' ' ALA . . . . . 0.436 ' HB1' ' HD2' ' A' ' 597' ' ' PRO . . . -79.61 162.61 62.45 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 1.0 109.249 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 597' ' ' PRO . . . . . 0.436 ' HD2' ' HB1' ' A' ' 596' ' ' ALA . 18.8 Cg_endo -74.93 -12.5 21.66 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.401 1.737 . . . . 1.0 111.008 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 598' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -92.44 94.94 9.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.419 1.074 . . . . 1.0 110.294 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 599' ' ' SER . . . . . 0.423 ' HB3' ' CD2' ' A' ' 590' ' ' TRP . 39.4 m -154.34 77.43 1.06 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.425 1.078 . . . . 1.0 109.961 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 1.3 mt -140.27 107.86 5.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 1.0 109.302 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 601' ' ' LEU . . . . . 0.59 HD23 ' NE1' ' A' ' 590' ' ' TRP . 2.3 mm? -102.49 169.88 8.39 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.52 1.138 . . . . 1.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 602' ' ' THR . . . . . 0.599 HG22 ' O ' ' A' ' 586' ' ' ASN . 0.0 OUTLIER -127.55 -177.22 4.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 1.0 110.377 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 603' ' ' MET . . . . . 0.762 ' HE1' ' O ' ' A' ' 587' ' ' ARG . 0.0 OUTLIER -127.0 44.47 2.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 1.0 110.932 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 604' ' ' GLU . . . . . 0.418 ' O ' ' HG3' ' A' ' 604' ' ' GLU . 17.2 pt-20 -127.14 44.65 2.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 1.0 110.227 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 605' ' ' GLU . . . . . 0.567 ' O ' ' C ' ' A' ' 606' ' ' ILE . 2.8 pt-20 -157.67 -51.16 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 1.0 110.359 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 606' ' ' ILE . . . . . 1.265 HG21 ' CD2' ' A' ' 651' ' ' TYR . 0.9 OUTLIER -25.88 133.22 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.524 1.14 . . . . 1.0 109.285 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 607' ' ' GLN . . . . . 0.557 ' HG3' ' HA ' ' A' ' 625' ' ' ARG . 0.1 OUTLIER -85.81 -38.37 18.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 1.0 110.355 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 608' ' ' SER . . . . . 0.439 ' HB2' ' HD3' ' A' ' 623' ' ' LYS . 5.2 m -175.06 133.93 0.33 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 1.0 110.044 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 609' ' ' VAL . . . . . 1.026 HG22 ' CD ' ' A' ' 644' ' ' LYS . 3.0 p -107.64 139.35 29.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.564 1.165 . . . . 1.0 109.279 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 610' ' ' GLU . . . . . 0.891 ' HG3' HD23 ' A' ' 621' ' ' LEU . 1.0 OUTLIER -159.09 -167.74 2.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 1.0 110.278 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 611' ' ' GLU . . . . . 0.686 ' HA ' ' HA ' ' A' ' 620' ' ' LEU . 24.8 tt0 -138.27 147.3 43.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 1.0 110.347 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 612' ' ' THR . . . . . 0.645 HG23 ' HG3' ' A' ' 618' ' ' LYS . 0.0 OUTLIER -109.87 161.39 15.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.436 1.085 . . . . 1.0 110.461 179.937 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 63.2 mt-30 -125.63 163.31 23.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 1.0 110.264 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 614' ' ' ILE . . . . . 0.793 HG22 ' O ' ' A' ' 614' ' ' ILE . 0.1 OUTLIER -149.14 82.38 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.125 . . . . 1.0 109.303 179.912 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 615' ' ' LYS . . . . . 0.432 ' HB2' ' O ' ' A' ' 614' ' ' ILE . 9.0 mmtt 82.12 -31.49 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 1.0 109.275 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 616' ' ' GLU . . . . . 0.438 ' H ' ' C ' ' A' ' 614' ' ' ILE . 0.9 OUTLIER -157.13 -49.77 0.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.439 1.087 . . . . 1.0 110.374 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 7.1 ttt85 -157.96 141.58 15.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 1.0 110.328 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 618' ' ' LYS . . . . . 0.645 ' HG3' HG23 ' A' ' 612' ' ' THR . 8.8 tptt -120.81 -97.68 0.46 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.431 1.082 . . . . 1.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 619' ' ' CYS . . . . . 0.468 ' O ' ' CG ' ' A' ' 611' ' ' GLU . 2.2 m -157.41 -177.24 6.45 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.448 1.093 . . . . 1.0 108.306 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 620' ' ' LEU . . . . . 1.039 HD13 HD12 ' A' ' 640' ' ' LEU . 0.1 OUTLIER -96.94 140.44 31.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.577 1.173 . . . . 1.0 109.222 -179.942 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 621' ' ' LEU . . . . . 0.891 HD23 ' HG3' ' A' ' 610' ' ' GLU . 0.7 OUTLIER -97.85 161.17 13.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 1.0 109.282 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 622' ' ' LEU . . . . . 0.922 HD12 HD11 ' A' ' 632' ' ' LEU . 0.7 OUTLIER -157.3 91.39 1.17 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.479 1.112 . . . . 1.0 109.315 -179.94 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 623' ' ' LYS . . . . . 0.439 ' HD3' ' HB2' ' A' ' 608' ' ' SER . 0.0 OUTLIER -95.07 136.34 35.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 1.0 109.195 -179.915 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 624' ' ' ILE . . . . . 0.964 HG22 ' H ' ' A' ' 626' ' ' GLY . 58.6 mt -102.19 143.62 14.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 124.538 1.149 . . . . 1.0 109.356 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 625' ' ' ARG . . . . . 0.557 ' HA ' ' HG3' ' A' ' 607' ' ' GLN . 5.3 ptm180 -79.26 3.2 18.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.436 1.085 . . . . 1.0 110.253 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 626' ' ' GLY . . . . . 0.964 ' H ' HG22 ' A' ' 624' ' ' ILE . . . -88.52 -24.91 32.0 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.47 1.106 . . . . 1.0 111.007 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 119.57 42.64 0.53 Allowed Glycine 0 CA--C 1.53 0.978 0 N-CA-C 111.063 -0.815 . . . . 1.0 111.063 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 628' ' ' LYS . . . . . . . . . . . . . 4.6 mtmm -143.0 170.92 14.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.392 0.701 . . . . 1.0 109.335 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -144.06 136.99 27.27 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.515 1.134 . . . . 1.0 110.314 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 630' ' ' PHE . . . . . 0.575 ' CD1' ' HE2' ' A' ' 567' ' ' LYS . 1.5 m-85 -130.72 155.18 47.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.454 1.096 . . . . 1.0 110.998 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 631' ' ' ILE . . . . . 0.489 ' HB ' HD21 ' A' ' 573' ' ' LEU . 0.7 OUTLIER -130.26 123.16 55.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 1.0 109.393 179.928 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 632' ' ' LEU . . . . . 0.922 HD11 HD12 ' A' ' 622' ' ' LEU . 0.7 OUTLIER -97.19 156.21 16.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 1.0 109.32 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 633' ' ' GLN . . . . . 0.517 ' N ' ' O ' ' A' ' 566' ' ' SER . 1.0 OUTLIER -157.62 125.1 5.21 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.585 1.178 . . . . 1.0 110.292 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 634' ' ' CYS . . . . . 0.713 ' HB2' HD23 ' A' ' 640' ' ' LEU . 0.0 OUTLIER -139.84 154.24 47.27 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 1.0 108.373 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 635' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -79.56 -21.02 45.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.101 . . . . 1.0 109.357 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 636' ' ' SER . . . . . 0.467 ' CB ' ' HB2' ' A' ' 639' ' ' GLU . 0.4 OUTLIER -86.37 148.7 25.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 1.0 109.95 -179.903 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 637' ' ' ASP . . . . . 0.642 ' N ' ' CD ' ' A' ' 638' ' ' PRO . 0.3 OUTLIER -84.6 -44.23 0.71 Allowed Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.559 1.162 . . . . 1.0 109.259 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 638' ' ' PRO . . . . . 0.642 ' CD ' ' N ' ' A' ' 637' ' ' ASP . 18.2 Cg_endo -75.04 -52.88 0.1 Allowed 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.561 1.822 . . . . 1.0 110.935 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 639' ' ' GLU . . . . . 0.557 ' C ' ' O ' ' A' ' 638' ' ' PRO . 11.9 mm-40 -24.89 -81.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.397 1.06 . . . . 1.0 110.277 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 640' ' ' LEU . . . . . 1.039 HD12 HD13 ' A' ' 620' ' ' LEU . 0.1 OUTLIER -48.91 -46.78 43.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 1.0 109.285 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 641' ' ' VAL . . . . . 0.603 HG12 ' N ' ' A' ' 642' ' ' GLN . 0.7 OUTLIER -45.01 -56.93 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 1.0 109.287 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 642' ' ' GLN . . . . . 0.603 ' N ' HG12 ' A' ' 641' ' ' VAL . 0.2 OUTLIER -64.05 -42.49 97.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.544 1.153 . . . . 1.0 110.325 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 643' ' ' TRP . . . . . 0.681 ' CZ3' ' HB2' ' A' ' 583' ' ' LEU . 33.9 m95 -52.85 -40.77 63.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 1.0 108.013 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 644' ' ' LYS . . . . . 1.026 ' CD ' HG22 ' A' ' 609' ' ' VAL . 0.0 OUTLIER -64.32 -61.48 2.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.56 1.163 . . . . 1.0 109.346 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 645' ' ' LYS . . . . . 0.459 ' CD ' ' OE1' ' A' ' 646' ' ' GLU . 2.6 tmtm? -39.47 -54.11 1.97 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.411 1.07 . . . . 1.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 646' ' ' GLU . . . . . 0.586 ' HG2' HG22 ' A' ' 560' ' ' ILE . 0.2 OUTLIER -69.29 -32.16 71.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 1.0 110.347 179.937 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 647' ' ' LEU . . . . . 0.861 ' HG ' HD12 ' A' ' 583' ' ' LEU . 12.0 mt -68.03 -59.97 2.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 1.0 109.328 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 648' ' ' ARG . . . . . 0.497 ' N ' ' O ' ' A' ' 644' ' ' LYS . 1.7 ttm105 -40.72 -52.54 2.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 1.0 110.275 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 649' ' ' ASP . . . . . 0.431 ' O ' ' N ' ' A' ' 653' ' ' GLU . 0.4 OUTLIER -63.98 -43.54 95.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.577 1.173 . . . . 1.0 109.248 -179.94 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 650' ' ' ALA . . . . . 0.604 ' HB1' ' CG ' ' A' ' 603' ' ' MET . . . -50.76 -45.11 58.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 1.0 109.354 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 651' ' ' TYR . . . . . 1.265 ' CD2' HG21 ' A' ' 606' ' ' ILE . 18.8 m-30 -78.03 -39.9 40.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 1.0 111.021 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 652' ' ' ARG . . . . . 0.485 ' O ' ' HB2' ' A' ' 655' ' ' GLN . 48.8 mtp85 -64.1 -62.47 1.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 1.0 110.327 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 653' ' ' GLU . . . . . 0.58 ' O ' HD13 ' A' ' 657' ' ' LEU . 0.0 OUTLIER -49.91 -55.78 13.11 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.473 1.108 . . . . 1.0 110.334 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 654' ' ' ALA . . . . . 0.448 ' O ' HG12 ' A' ' 658' ' ' VAL . . . -45.87 -34.86 4.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 1.0 109.293 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 655' ' ' GLN . . . . . 0.629 ' HA ' HG12 ' A' ' 658' ' ' VAL . 64.5 mt-30 -74.75 -67.35 0.65 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 1.0 110.256 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 656' ' ' GLN . . . . . 0.568 ' CG ' ' HA ' ' A' ' 653' ' ' GLU . 4.4 pt20 -52.14 -21.37 3.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.592 1.183 . . . . 1.0 110.311 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 657' ' ' LEU . . . . . 0.58 HD13 ' O ' ' A' ' 653' ' ' GLU . 10.2 mp -86.58 -25.27 25.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 1.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 658' ' ' VAL . . . . . 0.629 HG12 ' HA ' ' A' ' 655' ' ' GLN . 4.3 p -109.51 12.99 8.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 1.0 109.26 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 659' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 655' ' ' GLN . 0.0 OUTLIER -70.16 -73.85 0.15 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 1.0 110.332 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 660' ' ' ARG . . . . . . . . . . . . . 15.5 ptt180 -150.39 48.24 0.89 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.44 1.088 . . . . 1.0 110.271 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 661' ' ' VAL . . . . . . . . . . . . . 95.0 t -106.01 129.19 24.98 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 1.0 109.323 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 662' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.07 177.58 8.41 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.462 1.769 . . . . 1.0 110.942 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -74.91 64.06 1.26 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 1.0 109.294 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 664' ' ' MET . . . . . 0.4 ' O ' ' O ' ' A' ' 665' ' ' LYS . 0.0 OUTLIER 54.55 79.51 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.095 . . . . 1.0 111.129 -179.9 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 665' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' A' ' 664' ' ' MET . 30.8 tptt 40.51 89.84 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 1.0 109.246 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 666' ' ' ASN . . . . . . . . . . . . . 25.7 m-20 -81.17 58.33 3.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 1.0 109.311 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 7.5 ttmt -150.8 123.29 4.11 Favored Pre-proline 0 C--N 1.323 -0.557 0 O-C-N 124.532 1.145 . . . . 1.0 109.296 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 668' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -38.48 1.57 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.474 1.776 . . . . 1.0 111.007 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 14.0 tpt180 62.0 146.34 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.594 1.183 . . . . 1.0 110.316 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.109 0 CA-C-O 116.973 -1.489 . . . . 1.0 109.969 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 110.947 -0.861 . . . . 1.0 110.947 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 553' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 179.79 160.05 0.8 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.436 0.727 . . . . 1.0 110.059 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 554' ' ' HIS . . . . . . . . . . . . . 19.1 m-70 53.19 99.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 1.0 109.58 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 555' ' ' MET . . . . . . . . . . . . . 11.5 ptp -157.95 124.61 4.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 1.0 110.911 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . -98.51 -163.2 30.43 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.554 1.159 . . . . 1.0 110.986 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 557' ' ' LYS . . . . . 0.754 ' O ' ' HG3' ' A' ' 585' ' ' PRO . 56.9 tttt -157.7 110.35 2.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 0.733 . . . . 1.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 558' ' ' ASP . . . . . 0.783 ' O ' ' HD3' ' A' ' 585' ' ' PRO . 16.2 m-20 -77.05 -107.97 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.579 1.175 . . . . 1.0 109.345 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 559' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -66.17 112.31 3.86 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.368 1.042 . . . . 1.0 108.266 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 560' ' ' ILE . . . . . 0.798 HD11 ' HA ' ' A' ' 585' ' ' PRO . 26.5 mt -76.38 -56.95 6.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.552 1.157 . . . . 1.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 561' ' ' MET . . . . . 0.434 ' CE ' ' OE1' ' A' ' 642' ' ' GLN . 0.0 OUTLIER -147.64 157.83 43.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.151 . . . . 1.0 111.0 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 562' ' ' HIS . . . . . 0.444 ' HD2' ' O ' ' A' ' 562' ' ' HIS . 0.6 OUTLIER -158.89 154.3 25.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 1.0 109.574 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 563' ' ' GLY . . . . . . . . . . . . . . . 169.77 -162.87 36.35 Favored Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.414 1.071 . . . . 1.0 111.051 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 564' ' ' TYR . . . . . 0.45 ' HE1' ' CA ' ' A' ' 579' ' ' ARG . 0.4 OUTLIER -108.42 120.2 41.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 0.777 . . . . 1.0 111.007 179.909 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 565' ' ' MET . . . . . 0.629 ' SD ' ' CE2' ' A' ' 643' ' ' TRP . 1.6 ptm -152.6 154.55 35.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 1.0 111.055 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 566' ' ' SER . . . . . 0.508 ' HB2' ' O ' ' A' ' 577' ' ' GLN . 0.1 OUTLIER -116.92 172.23 7.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 1.0 109.986 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 567' ' ' LYS . . . . . 0.625 ' O ' ' CE3' ' A' ' 576' ' ' TRP . 0.0 OUTLIER -156.99 139.03 14.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 1.0 109.276 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 568' ' ' MET . . . . . 0.447 ' N ' ' HG2' ' A' ' 567' ' ' LYS . 22.2 mtt -127.92 -169.36 2.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 1.0 111.042 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 569' ' ' GLY . . . . . 0.83 ' H ' HD22 ' A' ' 573' ' ' LEU . . . -119.35 -81.52 0.72 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.53 1.144 . . . . 1.0 110.993 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 570' ' ' ASN . . . . . 0.747 ' OD1' HD13 ' A' ' 573' ' ' LEU . 0.6 OUTLIER -74.47 173.04 7.26 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.572 0.807 . . . . 1.0 109.35 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 571' ' ' PRO . . . . . 0.6 ' HD2' ' HB3' ' A' ' 570' ' ' ASN . 18.3 Cg_endo -75.07 2.14 7.0 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.541 1.811 . . . . 1.0 110.953 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 572' ' ' PHE . . . . . 0.587 ' CZ ' ' HG2' ' A' ' 571' ' ' PRO . 1.2 m-85 -145.35 52.62 1.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.423 1.077 . . . . 1.0 110.972 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 573' ' ' LEU . . . . . 0.83 HD22 ' H ' ' A' ' 569' ' ' GLY . 5.1 tp -91.47 87.24 6.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 1.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 574' ' ' THR . . . . . . . . . . . . . 7.3 t -90.61 25.59 2.27 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.474 1.109 . . . . 1.0 110.45 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -118.54 26.2 9.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 1.0 110.344 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 576' ' ' TRP . . . . . 0.625 ' CE3' ' O ' ' A' ' 567' ' ' LYS . 0.5 OUTLIER -132.81 175.77 9.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 1.0 108.025 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 577' ' ' GLN . . . . . 0.508 ' O ' ' HB2' ' A' ' 566' ' ' SER . 70.6 mt-30 -158.63 179.15 9.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.428 1.08 . . . . 1.0 110.291 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 578' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -80.51 120.38 24.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.587 1.18 . . . . 1.0 110.306 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 579' ' ' ARG . . . . . 0.522 ' O ' ' O ' ' A' ' 565' ' ' MET . 0.4 OUTLIER -125.97 163.96 21.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.577 1.173 . . . . 1.0 110.272 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 580' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -89.22 128.15 35.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 1.0 111.001 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 581' ' ' PHE . . . . . 0.548 ' CZ ' ' HB2' ' A' ' 590' ' ' TRP . 5.9 m-85 -118.77 159.91 22.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.44 1.087 . . . . 1.0 110.98 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 582' ' ' TYR . . . . . 0.563 ' O ' ' HA ' ' A' ' 588' ' ' LEU . 52.9 m-85 -138.79 121.25 16.11 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.43 1.081 . . . . 1.0 110.967 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 583' ' ' LEU . . . . . 0.7 ' HB2' ' CZ3' ' A' ' 643' ' ' TRP . 6.8 tp -92.41 115.13 27.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 1.0 109.348 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 584' ' ' PHE . . . . . 0.551 ' HB2' ' C ' ' A' ' 587' ' ' ARG . 5.9 m-85 -106.13 174.25 2.71 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 1.0 111.015 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 585' ' ' PRO . . . . . 0.798 ' HA ' HD11 ' A' ' 560' ' ' ILE . 18.6 Cg_endo -74.97 0.42 8.91 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.498 1.789 . . . . 1.0 111.02 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 586' ' ' ASN . . . . . 0.773 ' O ' HG22 ' A' ' 602' ' ' THR . 5.7 m120 -165.12 -41.56 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.428 1.08 . . . . 1.0 109.314 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 587' ' ' ARG . . . . . 0.551 ' C ' ' HB2' ' A' ' 584' ' ' PHE . 2.9 mtp180 -88.51 -168.78 2.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 1.0 110.335 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 588' ' ' LEU . . . . . 0.623 ' C ' HD12 ' A' ' 588' ' ' LEU . 0.1 OUTLIER -178.98 106.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 1.0 109.379 179.931 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 589' ' ' GLU . . . . . 0.552 ' HG3' HD23 ' A' ' 600' ' ' LEU . 2.0 mt-10 -86.71 143.73 27.43 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.552 1.157 . . . . 1.0 110.274 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 590' ' ' TRP . . . . . 0.556 ' CD1' ' O ' ' A' ' 599' ' ' SER . 1.6 p-90 -150.28 84.62 1.38 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 1.0 107.994 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -122.93 -175.69 3.23 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.454 1.096 . . . . 1.0 110.27 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . 153.63 -133.3 3.91 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.477 1.11 . . . . 1.0 110.922 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -78.55 173.49 12.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.43 0.723 . . . . 1.0 110.26 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . 82.72 -130.92 10.0 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.437 1.086 . . . . 1.0 111.043 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 595' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -176.05 162.52 2.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 0.739 . . . . 1.0 110.257 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . -176.6 155.9 1.38 Allowed Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.479 1.112 . . . . 1.0 109.264 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 597' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -35.01 3.36 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.512 1.796 . . . . 1.0 111.087 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 598' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -155.56 146.36 22.25 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.512 1.133 . . . . 1.0 110.222 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 599' ' ' SER . . . . . 0.556 ' O ' ' CD1' ' A' ' 590' ' ' TRP . 13.6 p -155.46 47.7 0.52 Allowed 'General case' 0 C--N 1.327 -0.397 0 O-C-N 124.432 1.083 . . . . 1.0 109.958 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 600' ' ' LEU . . . . . 0.63 ' C ' HD13 ' A' ' 600' ' ' LEU . 2.6 tm? -138.74 101.51 4.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.391 1.057 . . . . 1.0 109.32 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 601' ' ' LEU . . . . . 0.484 ' CD2' ' OE2' ' A' ' 605' ' ' GLU . 3.3 tp -112.38 178.92 4.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.632 1.208 . . . . 1.0 109.31 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 602' ' ' THR . . . . . 0.773 HG22 ' O ' ' A' ' 586' ' ' ASN . 0.0 OUTLIER -109.92 -163.46 0.86 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 1.0 110.365 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 603' ' ' MET . . . . . 0.722 ' HE1' ' O ' ' A' ' 585' ' ' PRO . 0.0 OUTLIER -129.4 36.38 4.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 1.0 111.055 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -124.91 56.91 1.3 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.509 1.13 . . . . 1.0 110.289 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 605' ' ' GLU . . . . . 0.495 ' O ' ' C ' ' A' ' 606' ' ' ILE . 3.4 pt-20 -159.27 -53.71 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 1.0 110.34 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 606' ' ' ILE . . . . . 1.273 HG21 ' CD2' ' A' ' 651' ' ' TYR . 0.9 OUTLIER -33.05 136.43 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 1.0 109.296 179.925 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 607' ' ' GLN . . . . . 0.551 ' HG2' ' CB ' ' A' ' 625' ' ' ARG . 0.0 OUTLIER -87.7 -41.45 13.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 1.0 110.312 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 608' ' ' SER . . . . . 0.468 ' OG ' ' O ' ' A' ' 607' ' ' GLN . 6.8 m -171.68 135.72 0.9 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 1.0 110.02 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 609' ' ' VAL . . . . . 0.955 HG22 ' CD ' ' A' ' 644' ' ' LYS . 2.7 p -107.64 139.32 29.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 O-C-N 124.528 1.142 . . . . 1.0 109.306 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 610' ' ' GLU . . . . . 0.827 ' HG3' HD23 ' A' ' 621' ' ' LEU . 0.2 OUTLIER -158.96 -166.69 1.91 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.371 1.045 . . . . 1.0 110.303 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 611' ' ' GLU . . . . . 0.607 ' HA ' ' HA ' ' A' ' 620' ' ' LEU . 24.9 tt0 -140.44 148.36 41.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 1.0 110.306 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 612' ' ' THR . . . . . 0.818 HG23 ' HG3' ' A' ' 618' ' ' LYS . 0.0 OUTLIER -114.01 164.26 14.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 1.0 110.368 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 7.4 mp0 -128.97 161.67 29.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 1.0 110.248 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 614' ' ' ILE . . . . . 0.795 HG22 ' O ' ' A' ' 614' ' ' ILE . 0.2 OUTLIER -146.63 84.0 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.56 1.163 . . . . 1.0 109.335 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 615' ' ' LYS . . . . . 0.426 ' HB3' ' O ' ' A' ' 614' ' ' ILE . 20.2 ttpt 82.22 -33.89 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 1.0 109.376 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 616' ' ' GLU . . . . . 0.437 ' H ' ' C ' ' A' ' 614' ' ' ILE . 3.1 tt0 -157.09 -46.95 0.07 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.448 1.092 . . . . 1.0 110.299 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 617' ' ' ARG . . . . . 0.518 ' CZ ' ' OD1' ' A' ' 637' ' ' ASP . 1.7 ttm180 -156.39 138.19 14.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.432 1.082 . . . . 1.0 110.328 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 618' ' ' LYS . . . . . 0.818 ' HG3' HG23 ' A' ' 612' ' ' THR . 9.1 tptt -117.8 -98.47 0.45 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 1.0 109.284 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 619' ' ' CYS . . . . . 0.472 ' O ' ' CG ' ' A' ' 611' ' ' GLU . 16.2 m -157.45 -172.68 4.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 1.0 108.295 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 620' ' ' LEU . . . . . 1.057 ' CD1' HD12 ' A' ' 640' ' ' LEU . 0.1 OUTLIER -99.91 140.94 33.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 1.0 109.293 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 621' ' ' LEU . . . . . 0.827 HD23 ' HG3' ' A' ' 610' ' ' GLU . 4.9 tp -94.64 158.37 15.55 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.605 1.191 . . . . 1.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 622' ' ' LEU . . . . . 0.872 HD12 HD21 ' A' ' 632' ' ' LEU . 0.9 OUTLIER -160.11 86.15 0.75 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 1.0 109.341 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 623' ' ' LYS . . . . . 0.452 ' HD3' ' HB2' ' A' ' 608' ' ' SER . 0.0 OUTLIER -93.2 136.78 33.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.383 1.052 . . . . 1.0 109.351 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 624' ' ' ILE . . . . . 0.958 HG22 ' H ' ' A' ' 626' ' ' GLY . 79.2 mt -101.58 144.75 12.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.148 . . . . 1.0 109.313 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 625' ' ' ARG . . . . . 0.551 ' CB ' ' HG2' ' A' ' 607' ' ' GLN . 16.7 ptt180 -80.51 3.09 22.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 1.0 110.299 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 626' ' ' GLY . . . . . 0.958 ' H ' HG22 ' A' ' 624' ' ' ILE . . . -87.92 -22.15 43.47 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.544 1.153 . . . . 1.0 111.002 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 118.33 38.68 0.78 Allowed Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.055 -0.818 . . . . 1.0 111.055 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 628' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -141.97 167.72 21.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 0.779 . . . . 1.0 109.228 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -139.35 150.06 44.9 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.503 1.127 . . . . 1.0 110.262 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 630' ' ' PHE . . . . . 0.511 ' CG ' ' HE2' ' A' ' 567' ' ' LYS . 1.1 m-85 -142.62 158.19 43.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 1.0 110.975 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 631' ' ' ILE . . . . . 0.537 ' O ' HG22 ' A' ' 631' ' ' ILE . 0.1 OUTLIER -140.68 108.2 2.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 1.0 109.33 179.925 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 632' ' ' LEU . . . . . 0.872 HD21 HD12 ' A' ' 622' ' ' LEU . 0.4 OUTLIER -83.46 152.28 25.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 1.0 109.302 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 633' ' ' GLN . . . . . 0.453 ' HG3' ' OG ' ' A' ' 566' ' ' SER . 0.0 OUTLIER -153.26 117.98 5.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.402 1.064 . . . . 1.0 110.254 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 634' ' ' CYS . . . . . 0.506 ' SG ' ' HA ' ' A' ' 565' ' ' MET . 5.7 t -124.31 169.75 11.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.384 1.052 . . . . 1.0 108.349 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 635' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -87.17 -18.38 30.5 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.118 . . . . 1.0 109.346 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 636' ' ' SER . . . . . 0.551 ' HB2' ' HB2' ' A' ' 639' ' ' GLU . 2.4 m -94.85 152.26 18.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 1.0 110.0 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 637' ' ' ASP . . . . . 0.711 ' N ' ' CD ' ' A' ' 638' ' ' PRO . 0.4 OUTLIER -90.07 -39.89 0.41 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 1.0 109.304 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 638' ' ' PRO . . . . . 0.711 ' CD ' ' N ' ' A' ' 637' ' ' ASP . 17.8 Cg_endo -75.11 -55.88 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.48 1.779 . . . . 1.0 110.989 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 639' ' ' GLU . . . . . 0.573 ' C ' ' O ' ' A' ' 638' ' ' PRO . 46.9 mm-40 -24.28 -80.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 1.0 110.292 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 640' ' ' LEU . . . . . 1.057 HD12 ' CD1' ' A' ' 620' ' ' LEU . 0.2 OUTLIER -49.21 -46.29 45.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.146 . . . . 1.0 109.293 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 641' ' ' VAL . . . . . 0.63 HG12 ' N ' ' A' ' 642' ' ' GLN . 0.8 OUTLIER -46.05 -58.66 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 1.0 109.228 -179.927 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 642' ' ' GLN . . . . . 0.63 ' N ' HG12 ' A' ' 641' ' ' VAL . 1.2 mm-40 -62.98 -39.51 94.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 1.0 110.297 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 643' ' ' TRP . . . . . 0.7 ' CZ3' ' HB2' ' A' ' 583' ' ' LEU . 18.9 m95 -56.2 -41.79 76.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 1.0 108.047 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 644' ' ' LYS . . . . . 0.955 ' CD ' HG22 ' A' ' 609' ' ' VAL . 0.0 OUTLIER -58.16 -54.71 43.86 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.405 1.065 . . . . 1.0 109.258 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 1.4 tmtt? -44.26 -54.42 5.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 1.0 109.291 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 646' ' ' GLU . . . . . 0.63 ' CB ' HD23 ' A' ' 583' ' ' LEU . 0.1 OUTLIER -70.85 -29.0 65.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 1.0 110.341 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 647' ' ' LEU . . . . . 0.564 ' HB2' ' HA ' ' A' ' 644' ' ' LYS . 0.9 OUTLIER -70.78 -62.57 1.34 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.085 . . . . 1.0 109.253 -179.917 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 648' ' ' ARG . . . . . 0.53 ' N ' ' O ' ' A' ' 644' ' ' LYS . 0.4 OUTLIER -40.23 -50.59 2.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 1.0 110.281 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 649' ' ' ASP . . . . . 0.42 ' O ' ' N ' ' A' ' 653' ' ' GLU . 42.5 t0 -62.93 -50.0 72.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.153 . . . . 1.0 109.348 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 650' ' ' ALA . . . . . 0.564 ' HB1' ' SD ' ' A' ' 603' ' ' MET . . . -46.04 -49.43 16.26 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.536 1.148 . . . . 1.0 109.242 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 651' ' ' TYR . . . . . 1.273 ' CD2' HG21 ' A' ' 606' ' ' ILE . 16.0 m-30 -73.37 -42.7 61.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.615 1.197 . . . . 1.0 110.995 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 652' ' ' ARG . . . . . 0.489 ' O ' ' HB2' ' A' ' 655' ' ' GLN . 70.3 mtp180 -60.07 -63.0 1.45 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.566 1.166 . . . . 1.0 110.314 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 653' ' ' GLU . . . . . 0.65 ' O ' HD13 ' A' ' 657' ' ' LEU . 4.6 mt-10 -43.48 -51.35 6.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 1.0 110.296 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -50.52 -36.13 32.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 1.0 109.227 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 655' ' ' GLN . . . . . 0.704 ' HA ' HG12 ' A' ' 658' ' ' VAL . 63.5 mt-30 -71.56 -66.63 0.6 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.514 1.134 . . . . 1.0 110.278 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 656' ' ' GLN . . . . . 0.543 ' CG ' ' HA ' ' A' ' 653' ' ' GLU . 3.2 pt20 -51.46 -22.34 3.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 1.0 110.299 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 657' ' ' LEU . . . . . 0.65 HD13 ' O ' ' A' ' 653' ' ' GLU . 8.8 mp -87.28 -24.85 24.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 1.0 109.321 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 658' ' ' VAL . . . . . 0.704 HG12 ' HA ' ' A' ' 655' ' ' GLN . 2.6 p -109.18 14.63 8.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 1.0 109.311 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 659' ' ' GLN . . . . . 0.435 ' N ' ' O ' ' A' ' 655' ' ' GLN . 0.0 OUTLIER -86.05 46.61 1.35 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 1.0 110.301 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 660' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -87.6 15.06 7.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.101 . . . . 1.0 110.294 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 661' ' ' VAL . . . . . . . . . . . . . 11.2 p -56.0 122.08 45.11 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.506 1.129 . . . . 1.0 109.28 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 662' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 177.92 7.96 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.553 1.817 . . . . 1.0 110.955 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.54 87.92 0.33 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 1.0 109.325 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 664' ' ' MET . . . . . . . . . . . . . 1.5 tpt -176.54 111.86 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 1.0 111.008 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 22.2 tptm 72.11 -66.35 0.31 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.568 1.168 . . . . 1.0 109.25 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 666' ' ' ASN . . . . . . . . . . . . . 21.0 m-80 70.73 -60.75 0.49 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 1.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 13.4 tptt 68.55 79.05 0.22 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.542 1.151 . . . . 1.0 109.347 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 668' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.16 56.51 4.36 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.503 1.791 . . . . 1.0 110.933 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -133.84 85.9 2.24 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.485 1.115 . . . . 1.0 110.192 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.126 0 CA-C-O 116.952 -1.499 . . . . 1.0 110.017 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 111.052 -0.819 . . . . 1.0 111.052 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 553' ' ' SER . . . . . . . . . . . . . 5.3 t -178.14 144.32 0.32 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 0.78 . . . . 1.0 109.957 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 554' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 68.83 149.47 0.07 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 1.0 109.621 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 555' ' ' MET . . . . . . . . . . . . . 5.6 ptp -88.0 157.78 18.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 1.0 111.094 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . -85.25 -174.73 50.3 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.447 1.092 . . . . 1.0 111.021 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 25.6 tttt -146.18 63.92 1.22 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.572 0.807 . . . . 1.0 109.262 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 558' ' ' ASP . . . . . 0.543 ' O ' ' HG3' ' A' ' 585' ' ' PRO . 0.7 OUTLIER -155.11 106.65 2.63 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.456 1.098 . . . . 1.0 109.323 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 559' ' ' CYS . . . . . . . . . . . . . 24.2 t -69.8 141.79 53.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 1.0 108.34 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 560' ' ' ILE . . . . . 0.761 HD11 ' HA ' ' A' ' 585' ' ' PRO . 12.5 mt -87.32 -55.72 6.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.49 1.119 . . . . 1.0 109.364 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 561' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.15 153.36 41.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.587 1.18 . . . . 1.0 111.046 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 562' ' ' HIS . . . . . . . . . . . . . 14.1 p-80 -151.61 169.81 21.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.086 . . . . 1.0 109.636 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 563' ' ' GLY . . . . . 0.474 ' O ' ' CD1' ' A' ' 580' ' ' TYR . . . 138.31 -158.26 24.8 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.491 1.12 . . . . 1.0 111.019 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 564' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -92.57 127.07 37.93 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.403 0.708 . . . . 1.0 111.041 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 565' ' ' MET . . . . . 0.661 ' O ' ' O ' ' A' ' 579' ' ' ARG . 0.0 OUTLIER -145.67 133.98 21.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.1 . . . . 1.0 111.022 -179.909 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 566' ' ' SER . . . . . 0.435 ' HB2' ' HA ' ' A' ' 578' ' ' ARG . 0.4 OUTLIER -102.39 138.98 38.6 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.54 1.15 . . . . 1.0 109.992 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 567' ' ' LYS . . . . . 0.551 ' HB3' ' CZ ' ' A' ' 581' ' ' PHE . 0.1 OUTLIER -160.32 140.86 11.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.58 1.175 . . . . 1.0 109.283 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 568' ' ' MET . . . . . 0.479 ' N ' ' HG2' ' A' ' 567' ' ' LYS . 0.0 OUTLIER -154.66 175.2 13.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.433 1.083 . . . . 1.0 110.945 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 569' ' ' GLY . . . . . 0.404 ' C ' ' CG ' ' A' ' 570' ' ' ASN . . . -179.47 120.26 0.68 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.499 1.124 . . . . 1.0 110.977 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 570' ' ' ASN . . . . . 0.569 ' CB ' ' CD ' ' A' ' 571' ' ' PRO . 0.0 OUTLIER -166.1 -178.04 0.67 Allowed Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.571 0.806 . . . . 1.0 109.254 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 571' ' ' PRO . . . . . 0.569 ' CD ' ' CB ' ' A' ' 570' ' ' ASN . 18.5 Cg_endo -74.99 12.16 1.28 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.424 1.749 . . . . 1.0 111.021 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 572' ' ' PHE . . . . . 0.525 ' CE2' ' HG2' ' A' ' 571' ' ' PRO . 15.4 m-85 -139.73 87.51 2.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 1.0 110.978 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.3 86.95 7.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 1.0 109.338 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 574' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -158.33 -29.15 0.08 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.447 1.092 . . . . 1.0 110.354 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 575' ' ' GLN . . . . . 0.467 ' O ' ' CD1' ' A' ' 576' ' ' TRP . 11.6 pt20 -94.54 152.95 18.14 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.611 1.194 . . . . 1.0 110.271 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 576' ' ' TRP . . . . . 0.467 ' CD1' ' O ' ' A' ' 575' ' ' GLN . 4.6 m0 -139.95 136.26 33.64 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.039 -1.097 . . . . 1.0 108.039 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 577' ' ' GLN . . . . . 0.405 ' O ' ' HB2' ' A' ' 566' ' ' SER . 0.5 OUTLIER -124.6 127.6 47.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 1.0 110.291 -179.924 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 578' ' ' ARG . . . . . 0.435 ' HA ' ' HB2' ' A' ' 566' ' ' SER . 1.5 mpt_? -90.89 118.16 30.07 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.451 1.094 . . . . 1.0 110.231 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 579' ' ' ARG . . . . . 0.661 ' O ' ' O ' ' A' ' 565' ' ' MET . 3.0 mmm-85 -135.53 166.17 23.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 1.0 110.26 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 580' ' ' TYR . . . . . 0.474 ' CD1' ' O ' ' A' ' 563' ' ' GLY . 0.4 OUTLIER -87.58 122.64 31.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 1.0 111.031 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 581' ' ' PHE . . . . . 0.606 ' CE1' ' CB ' ' A' ' 590' ' ' TRP . 8.8 m-85 -116.0 157.56 24.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 1.0 110.951 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 582' ' ' TYR . . . . . 0.726 ' O ' ' CD1' ' A' ' 582' ' ' TYR . 0.2 OUTLIER -142.95 124.16 14.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 1.0 110.998 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 583' ' ' LEU . . . . . 0.807 ' HB2' ' CZ3' ' A' ' 643' ' ' TRP . 6.5 tp -97.48 127.72 43.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.161 . . . . 1.0 109.282 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 584' ' ' PHE . . . . . 0.622 ' O ' HD12 ' A' ' 560' ' ' ILE . 0.3 OUTLIER -115.09 176.95 1.3 Allowed Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.46 1.1 . . . . 1.0 110.954 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 585' ' ' PRO . . . . . 0.761 ' HA ' HD11 ' A' ' 560' ' ' ILE . 18.1 Cg_endo -75.04 0.77 8.52 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.506 1.792 . . . . 1.0 111.011 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 586' ' ' ASN . . . . . 0.698 ' HA ' ' CG ' ' A' ' 603' ' ' MET . 1.1 m120 -166.67 -41.81 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.517 1.136 . . . . 1.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 587' ' ' ARG . . . . . 0.497 ' HA ' ' HA ' ' A' ' 602' ' ' THR . 6.3 mtp180 -87.32 179.52 6.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 1.0 110.3 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 588' ' ' LEU . . . . . 0.518 HD12 ' N ' ' A' ' 589' ' ' GLU . 0.1 OUTLIER 168.49 125.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.643 1.214 . . . . 1.0 109.266 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 589' ' ' GLU . . . . . 0.518 ' N ' HD12 ' A' ' 588' ' ' LEU . 0.6 OUTLIER -145.41 174.92 10.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 1.0 110.233 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 590' ' ' TRP . . . . . 0.606 ' CB ' ' CE1' ' A' ' 581' ' ' PHE . 11.8 p-90 -138.7 143.75 39.26 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.061 -1.089 . . . . 1.0 108.061 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 4.5 mtt180 -144.54 169.44 17.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.429 1.081 . . . . 1.0 110.315 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . 161.34 -163.03 34.24 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.57 1.169 . . . . 1.0 110.963 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -73.61 173.97 8.98 Favored 'General case' 0 C--N 1.327 -0.371 0 O-C-N 124.381 0.695 . . . . 1.0 110.25 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . 97.53 -124.07 8.03 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.481 1.113 . . . . 1.0 111.043 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 595' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -171.53 153.83 3.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.639 0.847 . . . . 1.0 110.24 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . -177.6 158.24 1.26 Allowed Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.472 1.107 . . . . 1.0 109.358 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 597' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -89.09 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.517 1.798 . . . . 1.0 111.005 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 598' ' ' GLN . . . . . . . . . . . . . 8.1 mp0 -138.67 129.56 26.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 1.0 110.279 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 599' ' ' SER . . . . . 0.509 ' O ' ' HB2' ' A' ' 589' ' ' GLU . 32.0 p -140.22 65.76 1.41 Allowed 'General case' 0 C--N 1.327 -0.384 0 O-C-N 124.469 1.106 . . . . 1.0 109.967 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 600' ' ' LEU . . . . . 0.487 ' HA ' ' HB2' ' A' ' 589' ' ' GLU . 0.1 OUTLIER -136.69 90.82 2.58 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.387 1.054 . . . . 1.0 109.292 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -107.43 -174.83 2.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 1.0 109.297 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 602' ' ' THR . . . . . 0.678 HG22 ' O ' ' A' ' 586' ' ' ASN . 0.0 OUTLIER -105.72 -159.35 0.7 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 1.0 110.375 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 603' ' ' MET . . . . . 1.014 ' HE3' ' HB2' ' A' ' 654' ' ' ALA . 0.0 OUTLIER -128.38 33.99 4.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.546 1.154 . . . . 1.0 111.005 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 604' ' ' GLU . . . . . 0.917 ' HB3' ' HB1' ' A' ' 654' ' ' ALA . 9.9 pt-20 -125.49 61.45 1.22 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 1.0 110.313 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 605' ' ' GLU . . . . . 0.458 ' O ' ' C ' ' A' ' 606' ' ' ILE . 2.7 pt-20 -159.09 -49.45 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 1.0 110.284 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 606' ' ' ILE . . . . . 1.193 HG21 ' CD2' ' A' ' 651' ' ' TYR . 1.2 mp -36.25 139.77 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.127 . . . . 1.0 109.258 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 607' ' ' GLN . . . . . 0.563 ' CG ' ' CB ' ' A' ' 625' ' ' ARG . 0.0 OUTLIER -95.96 -35.44 11.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 1.0 110.301 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 1.3 m -172.59 135.38 0.68 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 1.0 109.995 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 609' ' ' VAL . . . . . 0.887 HG22 ' CD ' ' A' ' 644' ' ' LYS . 3.7 p -107.73 140.6 25.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.15 . . . . 1.0 109.304 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 610' ' ' GLU . . . . . 0.755 ' HG3' HD23 ' A' ' 621' ' ' LEU . 0.1 OUTLIER -156.99 -166.26 2.04 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.408 1.067 . . . . 1.0 110.255 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 611' ' ' GLU . . . . . 0.554 ' HA ' ' HA ' ' A' ' 620' ' ' LEU . 19.2 tt0 -145.39 143.18 29.95 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.34 1.025 . . . . 1.0 110.363 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 612' ' ' THR . . . . . 0.766 HG23 ' HG3' ' A' ' 618' ' ' LYS . 0.0 OUTLIER -103.83 165.86 10.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.44 1.087 . . . . 1.0 110.412 179.905 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -132.03 161.29 33.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.374 1.046 . . . . 1.0 110.294 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 614' ' ' ILE . . . . . 0.79 HG22 ' O ' ' A' ' 614' ' ' ILE . 0.2 OUTLIER -145.98 84.94 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.123 . . . . 1.0 109.291 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 615' ' ' LYS . . . . . 0.43 ' HB2' ' O ' ' A' ' 614' ' ' ILE . 37.6 mmtt 82.07 -34.19 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 1.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 616' ' ' GLU . . . . . 0.43 ' H ' ' C ' ' A' ' 614' ' ' ILE . 3.8 tt0 -155.66 -49.42 0.08 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.556 1.16 . . . . 1.0 110.284 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 10.0 ttt85 -155.35 139.42 16.45 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 1.0 110.295 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 618' ' ' LYS . . . . . 0.766 ' HG3' HG23 ' A' ' 612' ' ' THR . 10.6 tptt -118.46 -96.71 0.47 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.567 1.167 . . . . 1.0 109.279 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 619' ' ' CYS . . . . . 0.51 ' O ' ' CG ' ' A' ' 611' ' ' GLU . 14.7 m -157.86 -176.91 6.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 1.0 108.208 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 620' ' ' LEU . . . . . 1.069 ' CD1' HD12 ' A' ' 640' ' ' LEU . 0.2 OUTLIER -95.93 150.5 20.37 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.515 1.135 . . . . 1.0 109.308 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 621' ' ' LEU . . . . . 0.755 HD23 ' HG3' ' A' ' 610' ' ' GLU . 0.4 OUTLIER -110.73 160.17 16.95 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.569 1.168 . . . . 1.0 109.265 -179.941 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 622' ' ' LEU . . . . . 0.911 ' CD1' HD11 ' A' ' 632' ' ' LEU . 9.0 mt -154.71 85.44 1.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 1.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 623' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.69 137.46 32.81 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 1.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 624' ' ' ILE . . . . . 0.92 HG22 ' H ' ' A' ' 626' ' ' GLY . 67.1 mt -105.92 145.77 13.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 1.0 109.299 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 625' ' ' ARG . . . . . 0.563 ' CB ' ' CG ' ' A' ' 607' ' ' GLN . 13.6 ptt180 -77.46 2.23 16.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 1.0 110.289 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 626' ' ' GLY . . . . . 0.92 ' H ' HG22 ' A' ' 624' ' ' ILE . . . -90.15 -19.49 46.15 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.469 1.105 . . . . 1.0 110.981 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 112.68 41.08 1.05 Allowed Glycine 0 CA--C 1.53 1.002 0 N-CA-C 110.991 -0.844 . . . . 1.0 110.991 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 628' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.89 169.96 16.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 0.782 . . . . 1.0 109.34 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 9.2 mp0 -141.46 147.48 37.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.145 . . . . 1.0 110.349 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 630' ' ' PHE . . . . . 0.506 ' CD1' ' HE2' ' A' ' 567' ' ' LYS . 0.6 OUTLIER -133.35 150.0 51.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.529 1.143 . . . . 1.0 110.868 -179.917 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 631' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -128.37 121.8 56.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 1.0 109.343 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 632' ' ' LEU . . . . . 0.911 HD11 ' CD1' ' A' ' 622' ' ' LEU . 0.9 OUTLIER -105.75 154.99 19.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 1.0 109.329 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 633' ' ' GLN . . . . . 0.458 ' HB2' ' SG ' ' A' ' 619' ' ' CYS . 64.1 tt0 -155.48 134.83 12.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.58 1.175 . . . . 1.0 110.29 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 634' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -143.06 155.18 44.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.107 . . . . 1.0 108.307 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 635' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -78.81 -19.73 51.41 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.532 1.145 . . . . 1.0 109.246 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 636' ' ' SER . . . . . 0.515 ' HB2' ' CG ' ' A' ' 639' ' ' GLU . 0.8 OUTLIER -96.4 146.29 24.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.589 1.18 . . . . 1.0 110.021 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 637' ' ' ASP . . . . . 0.723 ' N ' ' CD ' ' A' ' 638' ' ' PRO . 0.5 OUTLIER -79.14 -38.25 1.31 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.088 . . . . 1.0 109.31 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 638' ' ' PRO . . . . . 0.723 ' CD ' ' N ' ' A' ' 637' ' ' ASP . 18.3 Cg_endo -74.97 -61.54 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.403 1.738 . . . . 1.0 110.983 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 639' ' ' GLU . . . . . 0.599 ' C ' ' O ' ' A' ' 638' ' ' PRO . 72.6 mm-40 -21.38 -80.07 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.507 1.129 . . . . 1.0 110.308 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 640' ' ' LEU . . . . . 1.069 HD12 ' CD1' ' A' ' 620' ' ' LEU . 0.2 OUTLIER -50.2 -50.71 48.62 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 1.0 109.253 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 641' ' ' VAL . . . . . 0.585 HG12 ' N ' ' A' ' 642' ' ' GLN . 1.1 t -43.24 -59.88 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 1.0 109.243 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 642' ' ' GLN . . . . . 0.585 ' N ' HG12 ' A' ' 641' ' ' VAL . 0.0 OUTLIER -58.91 -40.65 85.15 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.541 1.151 . . . . 1.0 110.292 -179.923 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 643' ' ' TRP . . . . . 0.807 ' CZ3' ' HB2' ' A' ' 583' ' ' LEU . 15.3 m95 -51.76 -50.3 60.95 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 107.979 -1.119 . . . . 1.0 107.979 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 644' ' ' LYS . . . . . 0.887 ' CD ' HG22 ' A' ' 609' ' ' VAL . 0.3 OUTLIER -52.63 -60.14 3.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 1.0 109.256 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 645' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 644' ' ' LYS . 0.0 OUTLIER -38.61 -49.25 1.52 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.608 1.193 . . . . 1.0 109.236 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 646' ' ' GLU . . . . . 0.604 ' CB ' HD23 ' A' ' 583' ' ' LEU . 1.8 mt-10 -73.38 -37.39 66.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 1.0 110.333 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 647' ' ' LEU . . . . . 0.585 HD12 ' C ' ' A' ' 643' ' ' TRP . 0.4 OUTLIER -67.45 -62.77 1.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.103 . . . . 1.0 109.198 -179.874 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 648' ' ' ARG . . . . . 0.559 ' N ' ' O ' ' A' ' 644' ' ' LYS . 0.1 OUTLIER -39.12 -50.64 1.88 Allowed 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.478 1.111 . . . . 1.0 110.288 -179.932 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 649' ' ' ASP . . . . . 0.54 ' HA ' ' CD ' ' A' ' 652' ' ' ARG . 13.6 t70 -65.95 -55.15 18.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 1.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 650' ' ' ALA . . . . . 0.635 ' HB1' ' SD ' ' A' ' 603' ' ' MET . . . -37.67 -40.16 0.39 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.649 1.218 . . . . 1.0 109.453 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 651' ' ' TYR . . . . . 1.193 ' CD2' HG21 ' A' ' 606' ' ' ILE . 14.6 m-30 -80.24 -40.71 26.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 1.0 110.986 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 652' ' ' ARG . . . . . 0.54 ' CD ' ' HA ' ' A' ' 649' ' ' ASP . 0.1 OUTLIER -69.63 -35.16 74.98 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.559 1.162 . . . . 1.0 110.259 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 653' ' ' GLU . . . . . 0.512 ' O ' ' CG ' ' A' ' 656' ' ' GLN . 0.9 OUTLIER -70.99 -35.7 72.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 1.0 110.322 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 654' ' ' ALA . . . . . 1.014 ' HB2' ' HE3' ' A' ' 603' ' ' MET . . . -78.73 -53.54 7.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 1.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 655' ' ' GLN . . . . . 0.547 ' HG3' ' N ' ' A' ' 656' ' ' GLN . 12.2 pt20 -46.13 -48.34 17.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 1.0 110.352 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 656' ' ' GLN . . . . . 0.547 ' N ' ' HG3' ' A' ' 655' ' ' GLN . 1.5 pt20 -53.98 -18.97 4.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 1.0 110.292 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 657' ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' A' ' 653' ' ' GLU . 5.3 mt -86.43 -33.68 20.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 1.0 109.286 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 658' ' ' VAL . . . . . 0.478 HG11 ' NH2' ' A' ' 625' ' ' ARG . 0.5 OUTLIER -104.0 16.88 5.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.59 1.181 . . . . 1.0 109.176 -179.937 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 659' ' ' GLN . . . . . 0.421 ' N ' ' O ' ' A' ' 655' ' ' GLN . 1.4 mt-30 -82.17 50.53 1.6 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.565 1.166 . . . . 1.0 110.287 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 660' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.48 15.15 9.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 1.0 110.265 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 661' ' ' VAL . . . . . 0.431 ' H ' HG13 ' A' ' 661' ' ' VAL . 4.0 m -43.29 154.16 0.33 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.162 . . . . 1.0 109.252 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 662' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 173.13 15.04 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.432 1.754 . . . . 1.0 111.038 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 663' ' ' LYS . . . . . 0.494 ' O ' ' CG ' ' A' ' 664' ' ' MET . 0.0 OUTLIER -74.94 -39.62 61.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 1.0 109.316 -179.931 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 664' ' ' MET . . . . . 0.494 ' CG ' ' O ' ' A' ' 663' ' ' LYS . 1.6 mtm -176.74 -175.35 0.62 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 1.0 110.978 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 75.17 -69.78 0.17 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 1.0 109.317 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 666' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -77.28 66.24 3.01 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.51 1.131 . . . . 1.0 109.22 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 11.1 tptt -131.5 131.81 23.12 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 1.0 109.294 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 668' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -38.0 1.79 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.54 1.811 . . . . 1.0 111.034 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 6.8 ttt180 -174.25 168.18 4.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 1.0 110.316 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 87.8 p . . . . . 0 C--O 1.249 1.071 0 CA-C-O 117.039 -1.457 . . . . 1.0 109.987 -179.952 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.065 0 N-CA-C 111.016 -0.834 . . . . 1.0 111.016 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 553' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -176.95 169.25 2.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 0.765 . . . . 1.0 109.955 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 554' ' ' HIS . . . . . . . . . . . . . 36.4 p-80 -172.87 74.19 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.434 1.084 . . . . 1.0 109.588 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 555' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -159.43 146.23 16.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 1.0 110.969 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . -133.17 -176.81 14.57 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.521 1.138 . . . . 1.0 110.995 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 30.1 tttt -145.07 63.84 1.28 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.436 0.727 . . . . 1.0 109.355 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 558' ' ' ASP . . . . . 0.693 ' O ' ' CZ ' ' A' ' 584' ' ' PHE . 7.2 m-20 -113.08 -99.04 0.43 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 1.0 109.267 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 559' ' ' CYS . . . . . . . . . . . . . 8.3 t -155.04 146.88 23.42 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.115 . . . . 1.0 108.257 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 560' ' ' ILE . . . . . 0.951 HD11 ' HA ' ' A' ' 585' ' ' PRO . 10.6 mt -96.54 -52.75 8.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 1.0 109.258 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 561' ' ' MET . . . . . 0.485 ' CE ' ' OE2' ' A' ' 646' ' ' GLU . 0.4 OUTLIER -150.3 154.45 37.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.394 1.059 . . . . 1.0 111.018 -179.909 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 562' ' ' HIS . . . . . . . . . . . . . 4.3 p80 -147.51 155.84 42.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 1.0 109.637 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 563' ' ' GLY . . . . . 0.461 ' N ' ' HZ2' ' A' ' 643' ' ' TRP . . . 168.03 -168.64 40.91 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.456 1.097 . . . . 1.0 111.012 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 564' ' ' TYR . . . . . 0.465 ' O ' ' SG ' ' A' ' 634' ' ' CYS . 0.3 OUTLIER -94.72 124.17 38.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 0.776 . . . . 1.0 111.11 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 565' ' ' MET . . . . . 0.537 ' O ' ' O ' ' A' ' 579' ' ' ARG . 5.4 mtm -143.92 151.44 39.8 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.516 1.135 . . . . 1.0 111.027 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.72 148.43 44.63 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.464 1.103 . . . . 1.0 109.929 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 567' ' ' LYS . . . . . 0.603 ' HA ' ' HA ' ' A' ' 632' ' ' LEU . 35.5 ttpt -103.61 156.1 18.04 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.561 1.163 . . . . 1.0 109.306 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 568' ' ' MET . . . . . 0.734 ' HA ' HD11 ' A' ' 573' ' ' LEU . 15.2 mtt -140.62 175.62 9.46 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.375 1.047 . . . . 1.0 111.11 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 569' ' ' GLY . . . . . 0.456 ' HA2' HG22 ' A' ' 631' ' ' ILE . . . -143.97 -69.62 0.02 OUTLIER Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.531 1.144 . . . . 1.0 110.981 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 570' ' ' ASN . . . . . 0.598 ' CB ' ' CD ' ' A' ' 571' ' ' PRO . 0.0 OUTLIER -116.03 -176.82 0.4 Allowed Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.543 0.79 . . . . 1.0 109.354 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 571' ' ' PRO . . . . . 0.598 ' CD ' ' CB ' ' A' ' 570' ' ' ASN . 18.4 Cg_endo -75.0 9.02 2.16 Favored 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.461 1.769 . . . . 1.0 110.964 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 572' ' ' PHE . . . . . 0.481 ' CZ ' ' HG2' ' A' ' 571' ' ' PRO . 2.5 m-85 -129.25 84.22 2.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.604 1.19 . . . . 1.0 111.038 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 573' ' ' LEU . . . . . 0.734 HD11 ' HA ' ' A' ' 568' ' ' MET . 0.2 OUTLIER -86.7 95.09 9.68 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 1.0 109.324 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 574' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -117.55 -8.45 10.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 1.0 110.384 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 575' ' ' GLN . . . . . 0.535 ' O ' ' CD2' ' A' ' 576' ' ' TRP . 15.6 pt20 -130.72 43.05 3.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.164 . . . . 1.0 110.334 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 576' ' ' TRP . . . . . 0.535 ' CD2' ' O ' ' A' ' 575' ' ' GLN . 65.5 m95 -155.34 156.82 36.13 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 107.951 -1.129 . . . . 1.0 107.951 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -157.56 -170.33 3.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 1.0 110.33 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 578' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -82.32 109.18 16.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.423 1.077 . . . . 1.0 110.262 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 579' ' ' ARG . . . . . 0.537 ' O ' ' O ' ' A' ' 565' ' ' MET . 13.6 mtp85 -118.39 163.63 16.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 1.0 110.32 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 580' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -87.65 120.73 29.26 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.14 . . . . 1.0 111.036 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 581' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -108.04 161.23 15.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.137 . . . . 1.0 110.974 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 582' ' ' TYR . . . . . 0.416 ' O ' ' HA ' ' A' ' 588' ' ' LEU . 14.8 m-85 -147.53 110.23 4.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.411 1.069 . . . . 1.0 110.985 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 583' ' ' LEU . . . . . 0.856 HD23 ' O ' ' A' ' 583' ' ' LEU . 0.5 OUTLIER -89.32 113.74 25.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 1.0 109.304 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 584' ' ' PHE . . . . . 0.693 ' CZ ' ' O ' ' A' ' 558' ' ' ASP . 0.2 OUTLIER -97.35 179.96 1.0 Allowed Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.524 1.14 . . . . 1.0 111.109 179.916 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 585' ' ' PRO . . . . . 0.951 ' HA ' HD11 ' A' ' 560' ' ' ILE . 18.3 Cg_endo -74.99 9.08 2.14 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.516 1.798 . . . . 1.0 111.025 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 586' ' ' ASN . . . . . 0.759 ' OD1' ' HB2' ' A' ' 654' ' ' ALA . 20.8 m-20 179.95 -41.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 1.0 109.366 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 587' ' ' ARG . . . . . 0.477 ' HA ' ' HA ' ' A' ' 602' ' ' THR . 0.0 OUTLIER -89.98 -172.93 3.69 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.506 1.129 . . . . 1.0 110.273 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 588' ' ' LEU . . . . . 0.9 HD12 ' N ' ' A' ' 589' ' ' GLU . 0.0 OUTLIER -173.88 129.38 0.4 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 1.0 109.252 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 589' ' ' GLU . . . . . 0.9 ' N ' HD12 ' A' ' 588' ' ' LEU . 4.4 mt-10 -112.36 144.37 41.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.445 1.09 . . . . 1.0 110.321 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 590' ' ' TRP . . . . . 0.507 ' CD1' ' O ' ' A' ' 599' ' ' SER . 0.2 OUTLIER -140.4 90.95 2.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.558 1.161 . . . . 1.0 107.972 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.53 -175.27 3.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.123 . . . . 1.0 110.303 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . 137.3 -140.92 11.75 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.472 1.107 . . . . 1.0 111.027 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 593' ' ' GLU . . . . . 0.445 ' O ' ' NH1' ' A' ' 579' ' ' ARG . 1.7 pt-20 -95.51 134.86 37.88 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.465 0.744 . . . . 1.0 110.29 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . 174.59 -147.87 9.41 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.577 1.173 . . . . 1.0 110.959 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 595' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -147.52 18.41 1.18 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 0.783 . . . . 1.0 110.288 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . -90.66 154.81 46.01 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.572 1.17 . . . . 1.0 109.302 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 597' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -90.13 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.561 1.822 . . . . 1.0 111.012 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 598' ' ' GLN . . . . . . . . . . . . . 9.3 mp0 -96.26 155.75 16.63 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.41 1.069 . . . . 1.0 110.258 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 599' ' ' SER . . . . . 0.507 ' O ' ' CD1' ' A' ' 590' ' ' TRP . 22.6 p -153.42 53.28 0.73 Allowed 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.478 1.111 . . . . 1.0 109.915 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 600' ' ' LEU . . . . . 0.633 ' O ' HD22 ' A' ' 601' ' ' LEU . 0.5 OUTLIER -125.02 135.7 53.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 1.0 109.328 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 601' ' ' LEU . . . . . 0.633 HD22 ' O ' ' A' ' 600' ' ' LEU . 0.3 OUTLIER -156.02 -179.76 8.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.433 1.083 . . . . 1.0 109.231 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 602' ' ' THR . . . . . 0.477 ' HA ' ' HA ' ' A' ' 587' ' ' ARG . 0.2 OUTLIER -113.8 -177.39 3.12 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.552 1.158 . . . . 1.0 110.424 179.93 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 603' ' ' MET . . . . . 0.705 ' SD ' HD23 ' A' ' 588' ' ' LEU . 0.0 OUTLIER -128.36 42.5 3.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 1.0 111.035 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 604' ' ' GLU . . . . . 0.88 ' HB3' ' HB1' ' A' ' 654' ' ' ALA . 12.5 pt-20 -124.3 57.26 1.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.421 1.076 . . . . 1.0 110.273 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 605' ' ' GLU . . . . . 0.475 ' O ' ' C ' ' A' ' 606' ' ' ILE . 1.5 pt-20 -156.76 -42.08 0.07 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.603 1.189 . . . . 1.0 110.232 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 606' ' ' ILE . . . . . 1.091 HG21 ' CD2' ' A' ' 651' ' ' TYR . 1.1 mp -34.56 135.89 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 1.0 109.281 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 607' ' ' GLN . . . . . 0.44 ' HG2' ' CB ' ' A' ' 625' ' ' ARG . 1.0 OUTLIER -90.89 -37.46 13.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 1.0 110.304 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -174.42 134.98 0.42 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.574 1.171 . . . . 1.0 110.001 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 609' ' ' VAL . . . . . 1.068 HG22 ' CD ' ' A' ' 644' ' ' LYS . 5.8 p -108.08 142.87 19.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.57 1.169 . . . . 1.0 109.343 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 610' ' ' GLU . . . . . 0.846 ' CG ' HD23 ' A' ' 621' ' ' LEU . 0.1 OUTLIER -162.71 -171.23 2.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 1.0 110.322 179.93 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 611' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -115.24 177.65 4.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.452 1.095 . . . . 1.0 110.305 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 612' ' ' THR . . . . . 0.673 ' O ' ' CB ' ' A' ' 618' ' ' LYS . 3.8 t -156.94 153.12 27.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.583 1.177 . . . . 1.0 110.455 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -116.25 174.24 6.16 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.415 1.072 . . . . 1.0 110.276 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 614' ' ' ILE . . . . . 0.834 HG23 ' O ' ' A' ' 614' ' ' ILE . 0.0 OUTLIER -152.13 41.13 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.113 . . . . 1.0 109.325 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 615' ' ' LYS . . . . . 0.432 ' HB2' ' O ' ' A' ' 614' ' ' ILE . 27.3 mmtt 82.75 -21.02 0.31 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.434 1.084 . . . . 1.0 109.284 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 616' ' ' GLU . . . . . 0.443 ' O ' ' CD ' ' A' ' 618' ' ' LYS . 1.1 tt0 -160.07 -54.52 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 1.0 110.304 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 617' ' ' ARG . . . . . 0.511 ' C ' ' CD ' ' A' ' 618' ' ' LYS . 1.4 ttt180 -85.35 152.0 23.59 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.399 1.062 . . . . 1.0 110.229 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 618' ' ' LYS . . . . . 0.673 ' CB ' ' O ' ' A' ' 612' ' ' THR . 0.0 OUTLIER -136.27 165.35 25.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.582 1.176 . . . . 1.0 109.293 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 619' ' ' CYS . . . . . 0.447 ' SG ' ' C ' ' A' ' 618' ' ' LYS . 6.6 m -151.58 151.96 32.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 1.0 108.263 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 620' ' ' LEU . . . . . 1.033 ' CD1' HD12 ' A' ' 640' ' ' LEU . 0.3 OUTLIER -85.34 122.54 29.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 1.0 109.288 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 621' ' ' LEU . . . . . 0.846 HD23 ' CG ' ' A' ' 610' ' ' GLU . 0.7 OUTLIER -84.32 158.2 21.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 1.0 109.288 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 622' ' ' LEU . . . . . 0.914 HD23 HG12 ' A' ' 606' ' ' ILE . 0.1 OUTLIER -155.5 77.65 0.99 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 1.0 109.342 -179.936 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 623' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.25 137.37 38.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 1.0 109.204 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 624' ' ' ILE . . . . . 0.549 HG22 ' H ' ' A' ' 626' ' ' GLY . 5.0 mt -102.45 149.48 6.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.567 1.167 . . . . 1.0 109.271 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 625' ' ' ARG . . . . . 0.44 ' CB ' ' HG2' ' A' ' 607' ' ' GLN . 13.9 ptt180 -77.96 3.5 14.49 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.46 1.1 . . . . 1.0 110.315 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 626' ' ' GLY . . . . . 0.549 ' H ' HG22 ' A' ' 624' ' ' ILE . . . -96.56 -19.98 25.95 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.547 1.154 . . . . 1.0 110.987 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 112.56 33.5 2.07 Favored Glycine 0 CA--C 1.529 0.959 0 N-CA-C 111.053 -0.819 . . . . 1.0 111.053 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 628' ' ' LYS . . . . . . . . . . . . . 2.7 mttt -128.69 133.22 48.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 0.762 . . . . 1.0 109.313 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -110.85 136.77 49.4 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.46 1.1 . . . . 1.0 110.279 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 630' ' ' PHE . . . . . 0.49 ' O ' ' N ' ' A' ' 622' ' ' LEU . 4.8 m-85 -131.67 141.62 49.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.586 1.179 . . . . 1.0 111.019 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 631' ' ' ILE . . . . . 0.653 HD12 ' HA ' ' A' ' 621' ' ' LEU . 0.6 OUTLIER -135.39 103.72 4.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 1.0 109.267 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 632' ' ' LEU . . . . . 0.84 HD21 HD13 ' A' ' 622' ' ' LEU . 0.1 OUTLIER -106.76 153.6 22.21 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.533 1.146 . . . . 1.0 109.264 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 633' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -143.73 152.48 41.32 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.574 1.171 . . . . 1.0 110.29 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 634' ' ' CYS . . . . . 0.651 ' HB2' HD23 ' A' ' 640' ' ' LEU . 2.0 t -134.65 178.56 6.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 1.0 108.253 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 635' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.03 -21.39 23.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 1.0 109.3 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 636' ' ' SER . . . . . 0.614 ' CB ' ' CG ' ' A' ' 639' ' ' GLU . 0.8 OUTLIER -86.98 145.32 26.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.559 1.162 . . . . 1.0 109.981 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 637' ' ' ASP . . . . . 0.603 ' N ' ' CD ' ' A' ' 638' ' ' PRO . 0.2 OUTLIER -85.17 -46.81 0.63 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 1.0 109.29 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 638' ' ' PRO . . . . . 0.603 ' CD ' ' N ' ' A' ' 637' ' ' ASP . 18.3 Cg_endo -74.98 -48.94 0.16 Allowed 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.43 1.753 . . . . 1.0 111.051 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 639' ' ' GLU . . . . . 0.614 ' CG ' ' CB ' ' A' ' 636' ' ' SER . 43.0 mm-40 -27.71 -81.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.421 1.076 . . . . 1.0 110.245 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 640' ' ' LEU . . . . . 1.033 HD12 ' CD1' ' A' ' 620' ' ' LEU . 0.2 OUTLIER -47.34 -45.5 24.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.15 . . . . 1.0 109.328 179.951 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 641' ' ' VAL . . . . . 0.601 HG12 ' N ' ' A' ' 642' ' ' GLN . 0.7 OUTLIER -47.59 -56.21 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.586 1.179 . . . . 1.0 109.293 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 642' ' ' GLN . . . . . 0.601 ' N ' HG12 ' A' ' 641' ' ' VAL . 1.1 mt-30 -65.74 -38.46 89.19 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.585 1.178 . . . . 1.0 110.315 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 643' ' ' TRP . . . . . 0.539 ' CZ3' ' CB ' ' A' ' 583' ' ' LEU . 14.7 m95 -56.74 -44.43 81.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 1.0 108.006 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 644' ' ' LYS . . . . . 1.068 ' CD ' HG22 ' A' ' 609' ' ' VAL . 4.7 ttpp -54.64 -57.42 11.52 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 1.0 109.338 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 645' ' ' LYS . . . . . 0.408 ' HB3' ' OE1' ' A' ' 646' ' ' GLU . 5.9 tmtt? -41.11 -53.02 3.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.441 1.088 . . . . 1.0 109.326 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 646' ' ' GLU . . . . . 0.684 ' HG2' HG22 ' A' ' 560' ' ' ILE . 0.7 OUTLIER -69.34 -34.83 75.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.417 1.073 . . . . 1.0 110.377 179.928 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 647' ' ' LEU . . . . . 0.967 HD22 ' OH ' ' A' ' 651' ' ' TYR . 33.7 mt -65.32 -63.78 1.02 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 1.0 109.303 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 648' ' ' ARG . . . . . 0.611 ' HG3' ' CG1' ' A' ' 609' ' ' VAL . 0.0 OUTLIER -38.18 -50.98 1.44 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.461 1.1 . . . . 1.0 110.347 -179.933 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 649' ' ' ASP . . . . . 0.494 ' O ' ' N ' ' A' ' 652' ' ' ARG . 13.8 t70 -68.0 -54.8 15.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 1.0 109.336 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 650' ' ' ALA . . . . . . . . . . . . . . . -39.44 -39.29 0.66 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 1.0 109.308 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 651' ' ' TYR . . . . . 1.091 ' CD2' HG21 ' A' ' 606' ' ' ILE . 4.6 m-30 -79.33 -38.67 34.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.426 1.079 . . . . 1.0 111.083 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 652' ' ' ARG . . . . . 0.564 ' HA ' ' HG2' ' A' ' 655' ' ' GLN . 0.8 OUTLIER -72.35 -40.83 67.08 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.537 1.148 . . . . 1.0 110.392 179.877 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 653' ' ' GLU . . . . . 0.48 ' N ' ' CG ' ' A' ' 652' ' ' ARG . 0.1 OUTLIER -66.66 -35.01 79.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 1.0 110.323 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 654' ' ' ALA . . . . . 0.88 ' HB1' ' HB3' ' A' ' 604' ' ' GLU . . . -78.25 -55.36 5.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.16 . . . . 1.0 109.422 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 655' ' ' GLN . . . . . 0.564 ' HG2' ' HA ' ' A' ' 652' ' ' ARG . 17.3 pt20 -48.68 -42.83 36.02 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.566 1.167 . . . . 1.0 110.211 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 656' ' ' GLN . . . . . 0.437 ' N ' ' HG3' ' A' ' 655' ' ' GLN . 0.0 OUTLIER -58.85 -13.66 6.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 1.0 110.418 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 657' ' ' LEU . . . . . 0.488 ' HG ' ' O ' ' A' ' 654' ' ' ALA . 13.2 mt -85.41 -28.1 25.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 1.0 109.3 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 658' ' ' VAL . . . . . 0.412 ' O ' HG13 ' A' ' 658' ' ' VAL . 0.7 OUTLIER -117.2 13.72 7.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.132 . . . . 1.0 109.314 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 659' ' ' GLN . . . . . 0.46 ' O ' HG12 ' A' ' 661' ' ' VAL . 0.4 OUTLIER -59.04 -59.28 5.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 1.0 110.291 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 660' ' ' ARG . . . . . . . . . . . . . 9.1 mtp180 -68.09 65.77 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.601 1.188 . . . . 1.0 110.291 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 661' ' ' VAL . . . . . 0.46 HG12 ' O ' ' A' ' 659' ' ' GLN . 4.3 p -111.16 124.94 31.58 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 1.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 662' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.9 55.74 3.99 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.456 1.767 . . . . 1.0 111.027 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 1.4 ptmm? 40.85 62.56 1.38 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 1.0 109.323 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 664' ' ' MET . . . . . 0.492 ' CG ' ' N ' ' A' ' 665' ' ' LYS . 1.4 ttm 60.17 -100.74 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 1.0 111.007 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 665' ' ' LYS . . . . . 0.492 ' N ' ' CG ' ' A' ' 664' ' ' MET . 2.8 ttpt 76.32 -70.27 0.14 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.444 1.09 . . . . 1.0 109.323 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 666' ' ' ASN . . . . . . . . . . . . . 31.2 m-20 40.41 41.98 1.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.398 1.061 . . . . 1.0 109.251 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.43 77.49 0.39 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 1.0 109.342 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 668' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 56.27 4.25 Favored 'Trans proline' 0 C--N 1.361 1.225 0 O-C-N 124.481 1.78 . . . . 1.0 111.035 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 52.74 93.53 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.562 1.164 . . . . 1.0 110.285 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.25 1.106 0 CA-C-O 117.036 -1.459 . . . . 1.0 109.979 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.953 0 N-CA-C 111.029 -0.829 . . . . 1.0 111.029 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 553' ' ' SER . . . . . 0.452 ' O ' ' NH2' ' A' ' 587' ' ' ARG . 91.9 p -179.86 160.84 0.93 Allowed 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.455 0.739 . . . . 1.0 109.937 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 554' ' ' HIS . . . . . . . . . . . . . 12.3 m80 -114.7 171.95 7.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.564 1.165 . . . . 1.0 109.58 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 555' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -159.45 163.48 35.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.122 . . . . 1.0 110.988 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . 132.9 179.81 16.63 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.433 1.083 . . . . 1.0 110.966 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 33.6 tttt -154.04 -41.98 0.09 Allowed 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.503 0.766 . . . . 1.0 109.268 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 558' ' ' ASP . . . . . 0.455 ' O ' ' HG3' ' A' ' 585' ' ' PRO . 0.5 OUTLIER -129.62 102.56 6.41 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.509 1.13 . . . . 1.0 109.235 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 559' ' ' CYS . . . . . 0.425 ' SG ' ' O ' ' A' ' 583' ' ' LEU . 53.8 t -65.62 136.9 56.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 1.0 108.337 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 560' ' ' ILE . . . . . 0.922 HG22 ' CG ' ' A' ' 646' ' ' GLU . 55.2 mt -69.25 -60.11 2.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.582 1.177 . . . . 1.0 109.329 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 561' ' ' MET . . . . . 0.566 ' HB2' ' HG2' ' A' ' 646' ' ' GLU . 0.0 OUTLIER -149.23 161.35 42.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.434 1.084 . . . . 1.0 111.003 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 562' ' ' HIS . . . . . 0.408 ' HA ' ' CZ2' ' A' ' 643' ' ' TRP . 0.8 OUTLIER -160.23 151.48 19.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 1.0 109.592 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 563' ' ' GLY . . . . . . . . . . . . . . . 167.86 -164.15 37.73 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.478 1.111 . . . . 1.0 111.004 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 564' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -104.55 123.57 47.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 0.772 . . . . 1.0 111.021 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 565' ' ' MET . . . . . 0.573 ' HA ' ' SG ' ' A' ' 634' ' ' CYS . 10.9 ptm -151.17 142.67 23.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 1.0 111.011 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 566' ' ' SER . . . . . 0.543 ' OG ' ' CG ' ' A' ' 633' ' ' GLN . 1.0 OUTLIER -86.02 155.89 20.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.43 1.081 . . . . 1.0 109.999 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 567' ' ' LYS . . . . . 0.672 ' HD2' HD22 ' A' ' 632' ' ' LEU . 3.0 tttp -159.9 148.17 17.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.387 1.054 . . . . 1.0 109.334 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 568' ' ' MET . . . . . 0.432 ' O ' ' O ' ' A' ' 631' ' ' ILE . 0.0 OUTLIER -164.43 175.82 9.61 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.371 1.044 . . . . 1.0 110.94 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 569' ' ' GLY . . . . . 0.41 ' C ' ' CG ' ' A' ' 570' ' ' ASN . . . 161.42 110.55 0.26 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.527 1.142 . . . . 1.0 111.013 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 570' ' ' ASN . . . . . 0.577 ' CB ' ' CD ' ' A' ' 571' ' ' PRO . 0.0 OUTLIER -165.9 -178.19 0.69 Allowed Pre-proline 0 C--N 1.324 -0.537 0 O-C-N 124.514 0.773 . . . . 1.0 109.35 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 571' ' ' PRO . . . . . 0.577 ' CD ' ' CB ' ' A' ' 570' ' ' ASN . 18.6 Cg_endo -74.97 8.92 2.19 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.518 1.799 . . . . 1.0 110.976 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 572' ' ' PHE . . . . . 0.55 ' CE2' ' HG2' ' A' ' 571' ' ' PRO . 8.6 m-85 -137.62 86.46 2.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 1.0 111.034 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.64 84.4 7.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 1.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 574' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -150.39 -30.18 0.21 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.55 1.156 . . . . 1.0 110.347 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 575' ' ' GLN . . . . . 0.601 ' O ' ' CD1' ' A' ' 576' ' ' TRP . 18.4 pt20 -86.4 148.54 25.53 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.522 1.138 . . . . 1.0 110.346 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 576' ' ' TRP . . . . . 0.601 ' CD1' ' O ' ' A' ' 575' ' ' GLN . 12.5 m0 -145.19 115.76 7.65 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.554 1.159 . . . . 1.0 108.066 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -134.8 129.55 34.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.451 1.095 . . . . 1.0 110.35 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 578' ' ' ARG . . . . . 0.429 ' HG2' ' O ' ' A' ' 578' ' ' ARG . 0.0 OUTLIER -86.67 139.02 31.19 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.43 1.081 . . . . 1.0 110.349 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 579' ' ' ARG . . . . . 0.525 ' O ' ' O ' ' A' ' 565' ' ' MET . 0.6 OUTLIER -140.78 164.78 29.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 1.0 110.276 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 580' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -89.15 125.93 35.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.555 1.159 . . . . 1.0 111.044 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 581' ' ' PHE . . . . . 0.578 ' CE2' ' CB ' ' A' ' 590' ' ' TRP . 25.7 m-85 -120.33 163.76 17.34 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.449 1.093 . . . . 1.0 110.987 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 582' ' ' TYR . . . . . 0.619 ' CA ' ' HH2' ' A' ' 643' ' ' TRP . 14.4 m-85 -139.36 121.18 15.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 1.0 110.951 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 583' ' ' LEU . . . . . 0.852 HD23 ' CB ' ' A' ' 646' ' ' GLU . 7.7 tp -88.31 102.74 15.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.566 1.166 . . . . 1.0 109.252 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 584' ' ' PHE . . . . . 0.435 ' HB2' ' O ' ' A' ' 587' ' ' ARG . 0.3 OUTLIER -104.31 152.71 39.29 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 1.0 111.009 179.91 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 585' ' ' PRO . . . . . 0.644 ' O ' ' CB ' ' A' ' 586' ' ' ASN . 18.4 Cg_endo -75.04 66.83 6.04 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.386 1.729 . . . . 1.0 110.983 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 586' ' ' ASN . . . . . 0.769 ' CA ' ' HG2' ' A' ' 603' ' ' MET . 24.2 m-20 142.24 -40.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.085 . . . . 1.0 109.317 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 587' ' ' ARG . . . . . 0.549 ' HA ' ' HA ' ' A' ' 602' ' ' THR . 0.1 OUTLIER -122.53 -175.94 3.26 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.482 1.114 . . . . 1.0 110.261 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 588' ' ' LEU . . . . . 0.497 HD11 ' HD2' ' A' ' 581' ' ' PHE . 0.1 OUTLIER -167.11 123.81 1.18 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 1.0 109.294 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 589' ' ' GLU . . . . . 0.47 ' O ' HD12 ' A' ' 588' ' ' LEU . 1.7 mt-10 -93.9 153.05 18.44 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.54 1.15 . . . . 1.0 110.3 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 590' ' ' TRP . . . . . 0.578 ' CB ' ' CE2' ' A' ' 581' ' ' PHE . 33.5 p-90 -158.1 102.63 1.8 Allowed 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.937 -1.134 . . . . 1.0 107.937 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 6.7 mmt180 -139.99 -177.36 4.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.59 1.181 . . . . 1.0 110.204 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . 169.31 -137.03 4.31 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.549 1.156 . . . . 1.0 110.972 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -77.93 173.18 12.43 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 0.74 . . . . 1.0 110.359 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . 83.37 -125.74 7.17 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.485 1.115 . . . . 1.0 110.965 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 595' ' ' GLU . . . . . 0.423 ' O ' ' HB2' ' A' ' 596' ' ' ALA . 0.5 OUTLIER -169.77 161.34 9.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 0.748 . . . . 1.0 110.27 -179.945 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 596' ' ' ALA . . . . . 0.423 ' HB2' ' O ' ' A' ' 595' ' ' GLU . . . 179.14 156.99 0.65 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.117 . . . . 1.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 597' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -89.88 0.01 OUTLIER 'Trans proline' 0 C--N 1.362 1.249 0 O-C-N 124.471 1.774 . . . . 1.0 110.996 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 598' ' ' GLN . . . . . . . . . . . . . 5.2 mp0 -110.76 134.65 52.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 1.0 110.33 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 599' ' ' SER . . . . . 0.437 ' HB3' ' CE2' ' A' ' 590' ' ' TRP . 19.4 m -136.75 52.17 1.96 Allowed 'General case' 0 N--CA 1.451 -0.417 0 O-C-N 124.449 1.093 . . . . 1.0 109.988 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -140.53 116.07 10.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.393 1.058 . . . . 1.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 601' ' ' LEU . . . . . 0.429 ' O ' ' HA ' ' A' ' 587' ' ' ARG . 0.9 OUTLIER -113.84 -176.16 2.84 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.481 1.113 . . . . 1.0 109.36 179.938 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 602' ' ' THR . . . . . 0.581 ' HA ' ' O ' ' A' ' 586' ' ' ASN . 0.0 OUTLIER -104.63 -172.85 2.18 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.445 1.09 . . . . 1.0 110.395 -179.937 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 603' ' ' MET . . . . . 0.769 ' HG2' ' CA ' ' A' ' 586' ' ' ASN . 0.0 OUTLIER -129.31 30.11 5.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 1.0 110.976 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 604' ' ' GLU . . . . . 0.532 ' HB3' ' HB1' ' A' ' 654' ' ' ALA . 7.0 pt-20 -123.82 58.43 1.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 1.0 110.271 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 605' ' ' GLU . . . . . 0.495 ' HB2' HG23 ' A' ' 624' ' ' ILE . 3.3 pt-20 -157.76 -51.49 0.07 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.527 1.142 . . . . 1.0 110.321 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 606' ' ' ILE . . . . . 1.296 HG21 ' CD2' ' A' ' 651' ' ' TYR . 0.9 OUTLIER -35.36 135.01 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.57 1.169 . . . . 1.0 109.322 179.945 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 607' ' ' GLN . . . . . 0.551 ' HG2' ' CB ' ' A' ' 625' ' ' ARG . 0.0 OUTLIER -87.42 -37.21 17.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.424 1.078 . . . . 1.0 110.367 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 608' ' ' SER . . . . . 0.427 ' HB2' ' HD3' ' A' ' 623' ' ' LYS . 3.5 m -174.9 134.18 0.35 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 1.0 109.98 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 609' ' ' VAL . . . . . 1.09 HG22 ' CD ' ' A' ' 644' ' ' LYS . 3.3 p -104.12 127.99 57.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 1.0 109.363 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 610' ' ' GLU . . . . . 0.949 ' HG3' HD23 ' A' ' 621' ' ' LEU . 3.1 pt-20 -150.39 -170.27 3.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 1.0 110.317 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 611' ' ' GLU . . . . . 0.546 ' HA ' ' HA ' ' A' ' 620' ' ' LEU . 18.7 tt0 -140.39 142.39 35.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 1.0 110.32 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 612' ' ' THR . . . . . 0.781 HG23 ' HG3' ' A' ' 618' ' ' LYS . 0.0 OUTLIER -102.95 164.49 11.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 1.0 110.393 -179.919 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 60.5 mt-30 -129.89 160.86 32.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 1.0 110.337 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 614' ' ' ILE . . . . . 0.8 HG22 ' O ' ' A' ' 614' ' ' ILE . 0.1 OUTLIER -145.55 84.33 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.422 1.076 . . . . 1.0 109.379 179.934 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 615' ' ' LYS . . . . . 0.416 ' HB2' ' O ' ' A' ' 614' ' ' ILE . 2.8 mmmt 81.89 -33.18 0.1 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.456 1.097 . . . . 1.0 109.273 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 616' ' ' GLU . . . . . 0.44 ' H ' ' C ' ' A' ' 614' ' ' ILE . 3.5 tt0 -156.23 -48.41 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.596 1.185 . . . . 1.0 110.294 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -157.18 138.23 13.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.59 1.181 . . . . 1.0 110.27 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 618' ' ' LYS . . . . . 0.781 ' HG3' HG23 ' A' ' 612' ' ' THR . 11.4 tptt -116.33 -97.16 0.46 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.418 1.074 . . . . 1.0 109.323 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 619' ' ' CYS . . . . . 0.473 ' O ' ' CG ' ' A' ' 611' ' ' GLU . 52.9 m -157.29 -178.91 7.7 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.564 1.165 . . . . 1.0 108.326 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 620' ' ' LEU . . . . . 1.049 ' CD1' HD12 ' A' ' 640' ' ' LEU . 0.2 OUTLIER -96.39 141.19 30.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 1.0 109.314 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 621' ' ' LEU . . . . . 0.949 HD23 ' HG3' ' A' ' 610' ' ' GLU . 1.0 OUTLIER -105.28 162.89 13.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 1.0 109.376 179.94 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 622' ' ' LEU . . . . . 0.933 HD13 HD21 ' A' ' 632' ' ' LEU . 0.1 OUTLIER -160.57 78.09 0.62 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 1.0 109.298 -179.919 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 623' ' ' LYS . . . . . 0.427 ' HD3' ' HB2' ' A' ' 608' ' ' SER . 0.0 OUTLIER -76.38 141.03 41.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.393 1.058 . . . . 1.0 109.292 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 624' ' ' ILE . . . . . 0.928 HG22 ' H ' ' A' ' 626' ' ' GLY . 56.3 mt -106.24 145.64 13.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 1.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 625' ' ' ARG . . . . . 0.551 ' CB ' ' HG2' ' A' ' 607' ' ' GLN . 20.5 ptt180 -77.65 2.88 15.33 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.524 1.14 . . . . 1.0 110.252 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 626' ' ' GLY . . . . . 0.928 ' H ' HG22 ' A' ' 624' ' ' ILE . . . -93.6 -22.9 25.13 Favored Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.517 1.136 . . . . 1.0 110.942 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 114.2 41.42 0.9 Allowed Glycine 0 CA--C 1.529 0.956 0 N-CA-C 111.058 -0.817 . . . . 1.0 111.058 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 628' ' ' LYS . . . . . . . . . . . . . 4.5 mtmt -147.21 120.79 9.13 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.469 0.747 . . . . 1.0 109.257 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 629' ' ' GLN . . . . . 0.401 ' HA ' ' HA ' ' A' ' 623' ' ' LYS . 3.4 mp0 -99.54 148.51 24.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.578 1.174 . . . . 1.0 110.379 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 630' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -127.21 157.46 39.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 1.0 111.053 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 631' ' ' ILE . . . . . 0.651 HD13 ' O ' ' A' ' 620' ' ' LEU . 0.5 OUTLIER -144.35 103.72 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 1.0 109.264 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 632' ' ' LEU . . . . . 0.933 HD21 HD13 ' A' ' 622' ' ' LEU . 0.2 OUTLIER -116.89 166.2 12.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.155 . . . . 1.0 109.294 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 633' ' ' GLN . . . . . 0.543 ' CG ' ' OG ' ' A' ' 566' ' ' SER . 12.1 pt20 -146.42 174.15 11.65 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.432 1.082 . . . . 1.0 110.296 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 634' ' ' CYS . . . . . 0.742 ' HB2' HD23 ' A' ' 640' ' ' LEU . 0.5 OUTLIER -155.32 160.51 40.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 1.0 108.238 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 635' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.21 -14.38 33.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.41 1.069 . . . . 1.0 109.247 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 636' ' ' SER . . . . . 0.58 ' CB ' ' CG ' ' A' ' 639' ' ' GLU . 2.4 m -95.35 161.72 13.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 1.0 110.067 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 637' ' ' ASP . . . . . 0.554 ' N ' ' CD ' ' A' ' 638' ' ' PRO . 0.4 OUTLIER -92.26 -49.57 0.3 Allowed Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.46 1.1 . . . . 1.0 109.284 -179.941 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 638' ' ' PRO . . . . . 0.566 ' O ' ' C ' ' A' ' 639' ' ' GLU . 18.5 Cg_endo -74.99 -52.25 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.474 1.776 . . . . 1.0 111.029 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 639' ' ' GLU . . . . . 0.58 ' CG ' ' CB ' ' A' ' 636' ' ' SER . 20.3 mm-40 -23.66 -80.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 1.0 110.306 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 640' ' ' LEU . . . . . 1.049 HD12 ' CD1' ' A' ' 620' ' ' LEU . 0.2 OUTLIER -52.34 -47.57 65.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 1.0 109.243 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 641' ' ' VAL . . . . . 0.615 HG12 ' N ' ' A' ' 642' ' ' GLN . 0.8 OUTLIER -44.22 -57.52 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.164 . . . . 1.0 109.234 -179.943 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 642' ' ' GLN . . . . . 0.615 ' N ' HG12 ' A' ' 641' ' ' VAL . 0.1 OUTLIER -63.12 -40.95 99.08 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.403 1.064 . . . . 1.0 110.302 -179.94 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 643' ' ' TRP . . . . . 0.798 ' CZ3' ' HB2' ' A' ' 583' ' ' LEU . 24.1 m95 -54.62 -42.27 70.98 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 107.95 -1.13 . . . . 1.0 107.95 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 644' ' ' LYS . . . . . 1.09 ' CD ' HG22 ' A' ' 609' ' ' VAL . 0.0 OUTLIER -62.56 -55.94 22.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 1.0 109.273 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 11.3 tmtt? -44.12 -53.05 6.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.556 1.16 . . . . 1.0 109.278 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 646' ' ' GLU . . . . . 0.922 ' CG ' HG22 ' A' ' 560' ' ' ILE . 0.3 OUTLIER -68.38 -32.58 72.76 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.521 1.138 . . . . 1.0 110.294 -179.892 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 647' ' ' LEU . . . . . 0.75 HD12 ' C ' ' A' ' 643' ' ' TRP . 1.7 mt -68.15 -61.77 1.7 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.503 1.127 . . . . 1.0 109.245 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 648' ' ' ARG . . . . . 0.472 ' HB3' ' CZ ' ' A' ' 648' ' ' ARG . 1.2 ttp-105 -39.28 -55.13 1.75 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.475 1.109 . . . . 1.0 110.234 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 649' ' ' ASP . . . . . 0.415 ' O ' ' N ' ' A' ' 653' ' ' GLU . 30.0 t0 -61.3 -49.66 76.14 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.484 1.115 . . . . 1.0 109.3 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 650' ' ' ALA . . . . . 0.464 ' O ' ' SD ' ' A' ' 603' ' ' MET . . . -46.45 -50.44 16.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.162 . . . . 1.0 109.267 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 651' ' ' TYR . . . . . 1.296 ' CD2' HG21 ' A' ' 606' ' ' ILE . 19.9 m-30 -71.81 -36.74 70.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.416 1.073 . . . . 1.0 111.027 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 652' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 655' ' ' GLN . 4.9 mmm180 -65.97 -66.34 0.56 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 1.0 110.288 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 653' ' ' GLU . . . . . 0.566 ' C ' HD12 ' A' ' 657' ' ' LEU . 5.8 mt-10 -40.44 -55.01 2.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.434 1.084 . . . . 1.0 110.258 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 654' ' ' ALA . . . . . 0.532 ' HB1' ' HB3' ' A' ' 604' ' ' GLU . . . -49.56 -41.65 42.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 1.0 109.311 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 655' ' ' GLN . . . . . 0.721 ' HA ' HG12 ' A' ' 658' ' ' VAL . 72.0 mt-30 -76.04 -61.63 1.87 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 1.0 110.274 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 656' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -53.64 -23.12 10.21 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.516 1.135 . . . . 1.0 110.251 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 657' ' ' LEU . . . . . 0.566 HD12 ' C ' ' A' ' 653' ' ' GLU . 18.4 mt -87.66 -19.47 27.65 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.503 1.127 . . . . 1.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 658' ' ' VAL . . . . . 0.721 HG12 ' HA ' ' A' ' 655' ' ' GLN . 2.7 p -116.17 15.92 7.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.534 1.146 . . . . 1.0 109.329 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 659' ' ' GLN . . . . . 0.473 ' N ' ' O ' ' A' ' 655' ' ' GLN . 0.0 OUTLIER -85.37 46.86 1.34 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 1.0 110.318 179.94 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 660' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.87 15.72 5.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 1.0 110.301 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 661' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -91.64 161.82 33.07 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 1.0 109.307 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 662' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 -179.17 4.7 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.521 1.801 . . . . 1.0 111.093 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 15.4 ttmm -65.52 93.97 0.17 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.462 1.101 . . . . 1.0 109.281 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 664' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 61.7 157.45 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 1.0 110.946 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.24 92.72 6.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 1.0 109.336 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 666' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -83.3 58.06 4.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 1.0 109.311 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -168.25 108.22 0.55 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.596 1.185 . . . . 1.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 668' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.05 -30.7 6.81 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.512 1.796 . . . . 1.0 111.056 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 175.6 166.48 0.36 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.564 1.165 . . . . 1.0 110.233 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 7.4 t . . . . . 0 C--O 1.251 1.144 0 CA-C-O 116.988 -1.482 . . . . 1.0 110.0 179.967 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.957 0 N-CA-C 111.033 -0.827 . . . . 1.0 111.033 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 553' ' ' SER . . . . . . . . . . . . . 1.6 m 64.1 140.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 0.758 . . . . 1.0 109.985 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 554' ' ' HIS . . . . . . . . . . . . . 7.8 t60 -151.55 63.05 0.87 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 1.0 109.546 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 555' ' ' MET . . . . . . . . . . . . . 7.2 mtt -127.5 81.69 2.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 1.0 111.033 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . 55.41 171.82 0.09 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.482 1.114 . . . . 1.0 110.993 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 17.5 tttt -150.4 63.21 0.95 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.486 0.757 . . . . 1.0 109.332 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 558' ' ' ASP . . . . . 0.517 ' O ' ' HG3' ' A' ' 585' ' ' PRO . 69.0 m-20 -154.77 109.23 2.98 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.109 . . . . 1.0 109.353 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 559' ' ' CYS . . . . . 0.676 ' SG ' ' CD1' ' A' ' 584' ' ' PHE . 0.5 OUTLIER -69.69 143.55 53.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.432 1.083 . . . . 1.0 108.35 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 560' ' ' ILE . . . . . 0.803 HG22 ' HG2' ' A' ' 646' ' ' GLU . 19.3 mt -86.16 -56.8 4.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.546 1.153 . . . . 1.0 109.241 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 561' ' ' MET . . . . . 0.459 ' SD ' ' CD1' ' A' ' 643' ' ' TRP . 0.0 OUTLIER -144.77 138.17 26.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 1.0 110.992 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 562' ' ' HIS . . . . . . . . . . . . . 2.4 p80 -137.2 147.0 45.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 1.0 109.522 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 563' ' ' GLY . . . . . 0.468 ' N ' ' HZ2' ' A' ' 643' ' ' TRP . . . 174.59 -162.64 32.83 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.533 1.146 . . . . 1.0 110.991 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 564' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -103.71 124.23 48.48 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.537 0.786 . . . . 1.0 111.051 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 565' ' ' MET . . . . . 0.531 ' O ' ' O ' ' A' ' 579' ' ' ARG . 11.6 mtm -128.41 -171.27 2.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 1.0 111.021 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 566' ' ' SER . . . . . 0.584 ' OG ' ' CG ' ' A' ' 633' ' ' GLN . 0.9 OUTLIER -149.31 134.78 18.47 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.497 1.123 . . . . 1.0 110.028 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 567' ' ' LYS . . . . . 0.613 ' HE2' ' CD2' ' A' ' 630' ' ' PHE . 9.4 ttmt -128.72 159.7 34.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 1.0 109.281 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 568' ' ' MET . . . . . 0.433 ' N ' ' HG2' ' A' ' 567' ' ' LYS . 0.0 OUTLIER 178.76 170.74 0.84 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 1.0 111.012 179.882 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 569' ' ' GLY . . . . . 0.411 ' C ' ' CG ' ' A' ' 570' ' ' ASN . . . 159.11 118.16 0.51 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.485 1.116 . . . . 1.0 111.019 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 570' ' ' ASN . . . . . 0.569 ' CB ' ' CD ' ' A' ' 571' ' ' PRO . 0.0 OUTLIER -166.12 -178.56 0.73 Allowed Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.459 0.74 . . . . 1.0 109.308 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 571' ' ' PRO . . . . . 0.569 ' CD ' ' CB ' ' A' ' 570' ' ' ASN . 18.2 Cg_endo -75.01 8.29 2.48 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.531 1.806 . . . . 1.0 110.994 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 572' ' ' PHE . . . . . 0.562 ' CE2' ' HG2' ' A' ' 571' ' ' PRO . 21.5 m-85 -140.41 86.84 2.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 1.0 111.005 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.08 84.85 7.45 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.516 1.135 . . . . 1.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 574' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -149.96 -8.48 0.3 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.6 1.187 . . . . 1.0 110.369 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 575' ' ' GLN . . . . . 0.613 ' O ' ' CD1' ' A' ' 576' ' ' TRP . 18.5 pt20 -117.25 164.1 15.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 1.0 110.289 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 576' ' ' TRP . . . . . 0.613 ' CD1' ' O ' ' A' ' 575' ' ' GLN . 2.1 m-90 -146.44 140.66 26.44 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 107.94 -1.133 . . . . 1.0 107.94 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 577' ' ' GLN . . . . . 0.449 ' OE1' ' NH1' ' A' ' 579' ' ' ARG . 0.0 OUTLIER -127.11 120.44 28.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 1.0 110.319 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 578' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -92.26 119.23 31.66 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.529 1.143 . . . . 1.0 110.268 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 579' ' ' ARG . . . . . 0.639 ' HE ' ' N ' ' A' ' 592' ' ' GLY . 11.4 mmm-85 -134.38 167.1 21.36 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.436 1.085 . . . . 1.0 110.312 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 580' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -85.97 130.93 34.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.45 1.094 . . . . 1.0 110.986 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 581' ' ' PHE . . . . . 0.511 ' O ' ' CD1' ' A' ' 582' ' ' TYR . 1.4 m-85 -114.4 172.79 6.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.349 1.03 . . . . 1.0 110.977 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 582' ' ' TYR . . . . . 0.598 ' O ' ' HA ' ' A' ' 588' ' ' LEU . 5.3 m-85 -157.72 103.72 1.92 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.512 1.133 . . . . 1.0 110.933 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 583' ' ' LEU . . . . . 0.971 HD21 ' HB3' ' A' ' 646' ' ' GLU . 1.4 tt -86.11 110.26 19.42 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.515 1.134 . . . . 1.0 109.348 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 584' ' ' PHE . . . . . 0.676 ' CD1' ' SG ' ' A' ' 559' ' ' CYS . 1.7 m-85 -102.14 174.28 2.98 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 1.0 111.002 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 585' ' ' PRO . . . . . 0.653 ' HA ' HD11 ' A' ' 560' ' ' ILE . 18.0 Cg_endo -75.09 2.06 7.1 Favored 'Trans proline' 0 C--N 1.361 1.232 0 O-C-N 124.398 1.736 . . . . 1.0 110.983 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 586' ' ' ASN . . . . . 0.721 ' HA ' ' CG ' ' A' ' 603' ' ' MET . 68.3 m-80 -165.16 -41.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 1.0 109.31 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 587' ' ' ARG . . . . . 0.574 ' HA ' ' HA ' ' A' ' 602' ' ' THR . 0.1 OUTLIER -87.26 -174.81 5.03 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.494 1.122 . . . . 1.0 110.247 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 588' ' ' LEU . . . . . 0.598 ' HA ' ' O ' ' A' ' 582' ' ' TYR . 0.2 OUTLIER 177.79 106.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.406 1.066 . . . . 1.0 109.343 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 589' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -100.43 148.34 24.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 1.0 110.329 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 590' ' ' TRP . . . . . 0.521 ' CE2' ' HB3' ' A' ' 599' ' ' SER . 1.6 p-90 -145.82 88.86 1.85 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 1.0 107.961 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.54 171.11 12.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 1.0 110.366 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 592' ' ' GLY . . . . . 0.639 ' N ' ' HE ' ' A' ' 579' ' ' ARG . . . -95.33 -138.41 9.59 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.527 1.142 . . . . 1.0 110.97 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 593' ' ' GLU . . . . . 0.471 ' O ' ' C ' ' A' ' 594' ' ' GLY . 0.0 OUTLIER -83.37 -174.08 5.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 0.778 . . . . 1.0 110.318 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 594' ' ' GLY . . . . . 0.471 ' C ' ' O ' ' A' ' 593' ' ' GLU . . . -32.24 130.35 0.25 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.503 1.127 . . . . 1.0 111.04 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 595' ' ' GLU . . . . . 0.53 ' O ' ' HB2' ' A' ' 596' ' ' ALA . 0.1 OUTLIER 70.79 142.7 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 0.766 . . . . 1.0 110.22 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 596' ' ' ALA . . . . . 0.53 ' HB2' ' O ' ' A' ' 595' ' ' GLU . . . 174.37 164.1 0.34 Allowed Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.511 1.132 . . . . 1.0 109.284 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 597' ' ' PRO . . . . . 0.499 ' HD2' ' HB1' ' A' ' 596' ' ' ALA . 18.4 Cg_endo -75.06 -172.08 1.16 Allowed 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.539 1.81 . . . . 1.0 110.997 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 598' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -89.78 114.67 26.41 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.553 1.158 . . . . 1.0 110.306 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 599' ' ' SER . . . . . 0.521 ' HB3' ' CE2' ' A' ' 590' ' ' TRP . 8.9 m -149.41 72.11 1.14 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.427 1.079 . . . . 1.0 109.984 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -139.98 116.81 10.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.565 1.166 . . . . 1.0 109.378 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -129.74 -169.11 2.06 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.512 1.133 . . . . 1.0 109.273 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 602' ' ' THR . . . . . 0.586 HG22 ' O ' ' A' ' 586' ' ' ASN . 0.0 OUTLIER -112.01 -162.59 0.8 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 1.0 110.456 179.925 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 603' ' ' MET . . . . . 0.721 ' CG ' ' HA ' ' A' ' 586' ' ' ASN . 0.0 OUTLIER -124.55 39.05 4.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 1.0 110.961 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 604' ' ' GLU . . . . . 0.442 ' HB3' ' HB1' ' A' ' 654' ' ' ALA . 6.4 pt-20 -125.84 57.95 1.35 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.51 1.131 . . . . 1.0 110.262 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 605' ' ' GLU . . . . . 0.519 ' O ' ' C ' ' A' ' 606' ' ' ILE . 3.4 pt-20 -158.91 -52.77 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 1.0 110.313 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 606' ' ' ILE . . . . . 1.216 HG21 ' CD2' ' A' ' 651' ' ' TYR . 1.0 OUTLIER -31.64 137.09 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 1.0 109.332 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 607' ' ' GLN . . . . . 0.58 ' HG2' ' CB ' ' A' ' 625' ' ' ARG . 0.0 OUTLIER -91.35 -36.32 13.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.43 1.082 . . . . 1.0 110.414 179.932 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 608' ' ' SER . . . . . 0.415 ' HB2' ' HD3' ' A' ' 623' ' ' LYS . 3.1 m -173.51 135.18 0.53 Allowed 'General case' 0 C--N 1.327 -0.383 0 O-C-N 124.45 1.093 . . . . 1.0 109.934 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 609' ' ' VAL . . . . . 0.849 HG22 ' CD ' ' A' ' 644' ' ' LYS . 6.7 p -104.86 127.42 59.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 1.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 610' ' ' GLU . . . . . 0.82 ' CG ' HD23 ' A' ' 621' ' ' LEU . 0.3 OUTLIER -150.77 175.43 12.0 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.394 1.059 . . . . 1.0 110.382 179.923 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 611' ' ' GLU . . . . . 0.429 ' HA ' ' H ' ' A' ' 621' ' ' LEU . 23.0 tt0 -137.98 138.26 38.74 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.495 1.122 . . . . 1.0 110.285 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 612' ' ' THR . . . . . 0.843 HG23 ' HG3' ' A' ' 618' ' ' LYS . 0.1 OUTLIER -96.1 162.45 13.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.388 1.055 . . . . 1.0 110.382 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 613' ' ' GLN . . . . . 0.493 ' O ' HD12 ' A' ' 614' ' ' ILE . 2.2 mp0 -130.1 153.86 48.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 1.0 110.297 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 614' ' ' ILE . . . . . 0.761 HG22 ' O ' ' A' ' 614' ' ' ILE . 0.5 OUTLIER -142.01 85.71 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.55 1.156 . . . . 1.0 109.269 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 615' ' ' LYS . . . . . 0.422 ' CB ' ' O ' ' A' ' 614' ' ' ILE . 10.4 ttpt 82.9 -35.06 0.08 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.542 1.151 . . . . 1.0 109.259 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 616' ' ' GLU . . . . . 0.425 ' H ' ' C ' ' A' ' 614' ' ' ILE . 2.7 tt0 -156.48 -48.0 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 1.0 110.324 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -156.67 143.15 18.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.093 . . . . 1.0 110.327 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 618' ' ' LYS . . . . . 0.843 ' HG3' HG23 ' A' ' 612' ' ' THR . 9.5 tptt -119.96 -93.91 0.51 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.581 1.175 . . . . 1.0 109.354 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 619' ' ' CYS . . . . . 0.462 ' SG ' ' N ' ' A' ' 620' ' ' LEU . 42.0 t -159.26 161.75 36.01 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.521 1.138 . . . . 1.0 108.282 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 620' ' ' LEU . . . . . 1.093 ' CD1' HD12 ' A' ' 640' ' ' LEU . 0.3 OUTLIER -84.22 130.09 34.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.393 1.058 . . . . 1.0 109.317 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 621' ' ' LEU . . . . . 0.82 HD23 ' CG ' ' A' ' 610' ' ' GLU . 0.8 OUTLIER -92.86 157.07 16.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.459 1.099 . . . . 1.0 109.389 179.89 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 622' ' ' LEU . . . . . 0.903 HD12 HD21 ' A' ' 632' ' ' LEU . 0.3 OUTLIER -155.93 86.78 1.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 1.0 109.368 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 623' ' ' LYS . . . . . 0.415 ' HD3' ' HB2' ' A' ' 608' ' ' SER . 0.0 OUTLIER -87.91 138.87 31.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 1.0 109.322 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 624' ' ' ILE . . . . . 0.924 HG22 ' H ' ' A' ' 626' ' ' GLY . 79.1 mt -105.01 145.38 13.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.445 1.091 . . . . 1.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 625' ' ' ARG . . . . . 0.58 ' CB ' ' HG2' ' A' ' 607' ' ' GLN . 4.9 ptm180 -77.36 2.52 15.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 1.0 110.306 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 626' ' ' GLY . . . . . 0.924 ' H ' HG22 ' A' ' 624' ' ' ILE . . . -91.45 -16.59 52.42 Favored Glycine 0 CA--C 1.532 1.13 0 O-C-N 124.537 1.148 . . . . 1.0 110.975 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 106.51 42.13 1.64 Allowed Glycine 0 CA--C 1.53 1.012 0 N-CA-C 110.935 -0.866 . . . . 1.0 110.935 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 628' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -149.8 122.27 8.51 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.557 0.798 . . . . 1.0 109.325 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -101.87 147.55 26.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.573 1.171 . . . . 1.0 110.335 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 630' ' ' PHE . . . . . 0.613 ' CD2' ' HE2' ' A' ' 567' ' ' LYS . 12.1 m-85 -135.34 149.73 49.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.583 1.177 . . . . 1.0 111.009 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 631' ' ' ILE . . . . . 0.565 ' CG2' ' O ' ' A' ' 631' ' ' ILE . 0.1 OUTLIER -132.28 106.27 10.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.5 1.125 . . . . 1.0 109.309 179.952 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 632' ' ' LEU . . . . . 0.903 HD21 HD12 ' A' ' 622' ' ' LEU . 0.3 OUTLIER -114.13 143.69 44.38 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.441 1.088 . . . . 1.0 109.295 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 633' ' ' GLN . . . . . 0.584 ' CG ' ' OG ' ' A' ' 566' ' ' SER . 4.0 pt20 -122.85 178.52 5.0 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.46 1.1 . . . . 1.0 110.322 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 634' ' ' CYS . . . . . 0.551 ' HB3' HD23 ' A' ' 640' ' ' LEU . 23.9 p -152.6 165.33 35.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 1.0 108.289 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 635' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -99.05 -10.69 22.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.559 1.162 . . . . 1.0 109.274 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 636' ' ' SER . . . . . 0.52 ' CB ' ' HG3' ' A' ' 639' ' ' GLU . 0.4 OUTLIER -95.16 179.58 5.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.565 1.166 . . . . 1.0 110.026 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 637' ' ' ASP . . . . . 0.596 ' H ' ' HD2' ' A' ' 638' ' ' PRO . 0.4 OUTLIER -106.12 -57.13 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 1.0 109.251 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 638' ' ' PRO . . . . . 0.596 ' HD2' ' H ' ' A' ' 637' ' ' ASP . 18.4 Cg_endo -74.96 -40.83 0.79 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.562 1.822 . . . . 1.0 111.049 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 639' ' ' GLU . . . . . 0.55 ' C ' ' O ' ' A' ' 638' ' ' PRO . 10.8 mt-10 -25.79 -83.06 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.53 1.143 . . . . 1.0 110.326 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 640' ' ' LEU . . . . . 1.093 HD12 ' CD1' ' A' ' 620' ' ' LEU . 0.2 OUTLIER -48.41 -48.61 37.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 1.0 109.291 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 641' ' ' VAL . . . . . 0.536 HG12 ' N ' ' A' ' 642' ' ' GLN . 0.7 OUTLIER -43.08 -52.9 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 1.0 109.263 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 642' ' ' GLN . . . . . 0.536 ' N ' HG12 ' A' ' 641' ' ' VAL . 0.0 OUTLIER -68.17 -40.07 82.4 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.556 1.16 . . . . 1.0 110.33 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 643' ' ' TRP . . . . . 0.648 ' CZ3' ' CB ' ' A' ' 583' ' ' LEU . 45.7 m95 -58.47 -41.58 85.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.574 1.171 . . . . 1.0 108.018 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 644' ' ' LYS . . . . . 0.849 ' CD ' HG22 ' A' ' 609' ' ' VAL . 0.1 OUTLIER -62.22 -56.58 17.25 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 1.0 109.306 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 645' ' ' LYS . . . . . 0.442 ' CD ' ' OE1' ' A' ' 646' ' ' GLU . 2.6 tmtt? -41.63 -55.47 2.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 1.0 109.328 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 646' ' ' GLU . . . . . 0.971 ' HB3' HD21 ' A' ' 583' ' ' LEU . 0.3 OUTLIER -67.87 -34.61 77.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.571 1.169 . . . . 1.0 110.332 179.914 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 647' ' ' LEU . . . . . 0.888 HD22 ' CZ ' ' A' ' 651' ' ' TYR . 6.8 mt -63.93 -63.68 1.09 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.507 1.129 . . . . 1.0 109.324 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 648' ' ' ARG . . . . . 0.526 ' HG3' ' CG1' ' A' ' 609' ' ' VAL . 6.3 ttm180 -38.94 -52.8 1.78 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 1.0 110.304 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 649' ' ' ASP . . . . . 0.411 ' O ' ' HB2' ' A' ' 653' ' ' GLU . 24.4 t70 -62.97 -40.18 96.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 1.0 109.258 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 650' ' ' ALA . . . . . 0.618 ' HB1' ' SD ' ' A' ' 603' ' ' MET . . . -54.23 -49.16 70.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 1.0 109.255 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 651' ' ' TYR . . . . . 1.216 ' CD2' HG21 ' A' ' 606' ' ' ILE . 3.6 m-30 -75.5 -39.56 58.37 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.524 1.14 . . . . 1.0 111.002 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 652' ' ' ARG . . . . . 0.513 ' O ' ' HB2' ' A' ' 655' ' ' GLN . 0.0 OUTLIER -62.52 -61.28 2.54 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.597 1.186 . . . . 1.0 110.37 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 653' ' ' GLU . . . . . 0.6 ' O ' HD13 ' A' ' 657' ' ' LEU . 28.6 mt-10 -46.55 -57.25 4.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 1.0 110.269 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 654' ' ' ALA . . . . . 0.442 ' HB1' ' HB3' ' A' ' 604' ' ' GLU . . . -44.98 -37.38 3.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.569 1.168 . . . . 1.0 109.218 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 655' ' ' GLN . . . . . 0.637 ' HA ' HG12 ' A' ' 658' ' ' VAL . 57.7 mt-30 -72.1 -67.89 0.51 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.578 1.174 . . . . 1.0 110.27 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 656' ' ' GLN . . . . . 0.572 ' CG ' ' HA ' ' A' ' 653' ' ' GLU . 5.6 pt20 -51.62 -21.19 2.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 1.0 110.237 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 657' ' ' LEU . . . . . 0.6 HD13 ' O ' ' A' ' 653' ' ' GLU . 9.4 mp -87.16 -25.95 23.83 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.43 1.081 . . . . 1.0 109.367 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 658' ' ' VAL . . . . . 0.637 HG12 ' HA ' ' A' ' 655' ' ' GLN . 2.6 p -108.79 14.48 8.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.554 1.159 . . . . 1.0 109.329 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 659' ' ' GLN . . . . . 0.429 ' N ' ' O ' ' A' ' 655' ' ' GLN . 1.3 mt-30 -85.92 46.78 1.36 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.499 1.124 . . . . 1.0 110.313 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 660' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.74 14.88 7.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 1.0 110.26 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 661' ' ' VAL . . . . . . . . . . . . . 11.1 p -48.39 124.42 11.55 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 1.0 109.295 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 662' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 56.84 4.33 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.48 1.779 . . . . 1.0 111.012 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 42.88 62.83 1.65 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 1.0 109.344 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 664' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 38.43 83.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.419 1.074 . . . . 1.0 110.976 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 7.0 ttmt -100.78 -46.91 5.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 1.0 109.231 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 666' ' ' ASN . . . . . 0.421 ' O ' ' OG ' ' A' ' 670' ' ' SER . 1.7 m120 -65.01 -26.54 68.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 1.0 109.252 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 667' ' ' LYS . . . . . 0.409 ' HA ' ' HD3' ' A' ' 668' ' ' PRO . 0.0 OUTLIER 65.43 139.66 0.05 OUTLIER Pre-proline 0 C--N 1.323 -0.546 0 O-C-N 124.51 1.131 . . . . 1.0 109.33 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 668' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 667' ' ' LYS . 18.1 Cg_endo -75.05 -38.35 1.6 Allowed 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.561 1.822 . . . . 1.0 110.978 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 1.2 tpt85 -88.87 -56.31 3.34 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.414 1.072 . . . . 1.0 110.287 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 670' ' ' SER . . . . . 0.421 ' OG ' ' O ' ' A' ' 666' ' ' ASN . 67.0 m . . . . . 0 C--O 1.25 1.117 0 CA-C-O 117.004 -1.474 . . . . 1.0 110.015 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.06 0 N-CA-C 111.01 -0.836 . . . . 1.0 111.01 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 553' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.44 163.79 31.03 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.55 0.794 . . . . 1.0 110.038 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 554' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -103.17 174.79 5.71 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 1.0 109.573 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 555' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -113.97 -167.86 1.27 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.39 1.056 . . . . 1.0 111.005 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . -52.93 -171.54 0.03 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.55 1.156 . . . . 1.0 110.995 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 5.9 tttp -141.15 69.46 1.34 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 0.766 . . . . 1.0 109.308 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 558' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -155.19 110.3 3.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.566 1.166 . . . . 1.0 109.328 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 559' ' ' CYS . . . . . . . . . . . . . 40.1 t -69.35 144.48 53.46 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.502 1.126 . . . . 1.0 108.306 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 560' ' ' ILE . . . . . 0.638 HD11 ' HA ' ' A' ' 585' ' ' PRO . 12.1 mt -84.04 -62.18 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.425 1.078 . . . . 1.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 561' ' ' MET . . . . . 0.49 ' SD ' ' NE1' ' A' ' 643' ' ' TRP . 0.0 OUTLIER -131.12 135.96 47.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.551 1.157 . . . . 1.0 110.951 -179.905 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 562' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -135.74 142.91 45.06 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.498 1.124 . . . . 1.0 109.523 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 563' ' ' GLY . . . . . 0.516 ' O ' ' CD1' ' A' ' 580' ' ' TYR . . . 167.53 -161.9 35.69 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.492 1.12 . . . . 1.0 111.05 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 564' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -93.37 127.03 38.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.457 0.74 . . . . 1.0 111.002 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 565' ' ' MET . . . . . 0.583 ' HE1' ' CE3' ' A' ' 643' ' ' TRP . 0.0 OUTLIER -137.57 124.15 20.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.533 1.146 . . . . 1.0 110.969 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 566' ' ' SER . . . . . 0.474 ' O ' ' N ' ' A' ' 633' ' ' GLN . 0.5 OUTLIER -100.79 100.12 10.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 1.0 110.008 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 567' ' ' LYS . . . . . 0.498 ' CG ' ' N ' ' A' ' 568' ' ' MET . 0.0 OUTLIER -136.96 165.15 26.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 1.0 109.277 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 568' ' ' MET . . . . . 0.498 ' N ' ' CG ' ' A' ' 567' ' ' LYS . 0.0 OUTLIER -171.16 168.28 6.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 1.0 111.002 179.933 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 569' ' ' GLY . . . . . 0.419 ' C ' ' CG ' ' A' ' 570' ' ' ASN . . . -156.03 119.5 0.92 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.528 1.143 . . . . 1.0 110.991 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 570' ' ' ASN . . . . . 0.571 ' CB ' ' CD ' ' A' ' 571' ' ' PRO . 0.0 OUTLIER -166.06 -178.51 0.72 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.504 0.767 . . . . 1.0 109.336 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 571' ' ' PRO . . . . . 0.571 ' CD ' ' CB ' ' A' ' 570' ' ' ASN . 18.8 Cg_endo -74.93 21.96 0.42 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.402 1.738 . . . . 1.0 111.056 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 572' ' ' PHE . . . . . 0.504 ' H ' ' C ' ' A' ' 570' ' ' ASN . 16.0 m-85 -143.96 88.25 1.96 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.398 1.061 . . . . 1.0 110.948 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -84.86 84.62 7.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 1.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 574' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -161.61 -36.19 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.165 . . . . 1.0 110.433 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 575' ' ' GLN . . . . . 0.571 ' O ' ' CD1' ' A' ' 576' ' ' TRP . 29.4 pt20 -87.35 163.81 16.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.103 . . . . 1.0 110.221 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 576' ' ' TRP . . . . . 0.571 ' CD1' ' O ' ' A' ' 575' ' ' GLN . 3.2 m-90 -153.63 125.17 7.61 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 107.938 -1.134 . . . . 1.0 107.938 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 577' ' ' GLN . . . . . 0.458 ' O ' ' HA ' ' A' ' 566' ' ' SER . 3.9 tt0 -100.78 140.45 35.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.438 1.086 . . . . 1.0 110.333 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 578' ' ' ARG . . . . . . . . . . . . . 5.5 mtt180 -96.05 104.43 16.38 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 1.0 110.26 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 579' ' ' ARG . . . . . 0.497 ' O ' ' O ' ' A' ' 565' ' ' MET . 1.1 mtt180 -134.31 160.56 37.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 1.0 110.296 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 580' ' ' TYR . . . . . 0.516 ' CD1' ' O ' ' A' ' 563' ' ' GLY . 0.8 OUTLIER -89.57 125.74 35.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 1.0 111.078 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 581' ' ' PHE . . . . . 0.573 ' CD2' ' HB3' ' A' ' 590' ' ' TRP . 16.8 m-85 -114.13 171.17 7.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.408 1.067 . . . . 1.0 110.919 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 582' ' ' TYR . . . . . 0.476 ' O ' ' HA ' ' A' ' 588' ' ' LEU . 41.1 m-85 -143.83 118.96 10.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 1.0 111.06 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 583' ' ' LEU . . . . . 0.779 ' HB2' ' CZ3' ' A' ' 643' ' ' TRP . 6.3 tp -88.84 109.82 20.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 1.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 584' ' ' PHE . . . . . 0.484 ' CD2' ' HD2' ' A' ' 585' ' ' PRO . 0.6 OUTLIER -100.24 174.76 2.77 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.443 1.089 . . . . 1.0 111.019 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 585' ' ' PRO . . . . . 0.638 ' HA ' HD11 ' A' ' 560' ' ' ILE . 18.1 Cg_endo -75.07 9.97 1.88 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.486 1.782 . . . . 1.0 110.968 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 586' ' ' ASN . . . . . 0.729 ' O ' HG22 ' A' ' 602' ' ' THR . 6.9 m-20 179.17 -38.99 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 1.0 109.314 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 587' ' ' ARG . . . . . 0.561 ' HA ' ' HA ' ' A' ' 602' ' ' THR . 0.5 OUTLIER -87.52 -170.49 3.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 1.0 110.278 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 588' ' ' LEU . . . . . 0.593 ' C ' HD12 ' A' ' 588' ' ' LEU . 0.1 OUTLIER -175.99 112.97 0.12 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.43 1.081 . . . . 1.0 109.232 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 589' ' ' GLU . . . . . 0.739 ' CG ' HD12 ' A' ' 600' ' ' LEU . 12.2 mt-10 -102.57 147.38 26.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.429 1.081 . . . . 1.0 110.221 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 590' ' ' TRP . . . . . 0.573 ' HB3' ' CD2' ' A' ' 581' ' ' PHE . 1.2 p-90 -153.51 119.17 5.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 1.0 108.064 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 591' ' ' ARG . . . . . 0.491 ' NH1' ' O ' ' A' ' 597' ' ' PRO . 3.1 mmt180 -140.11 -174.27 3.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 1.0 110.234 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . -176.74 173.79 46.55 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.5 1.125 . . . . 1.0 111.017 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.02 142.78 54.51 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.583 0.814 . . . . 1.0 110.337 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . 123.24 -135.8 10.15 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.525 1.141 . . . . 1.0 111.02 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 595' ' ' GLU . . . . . 0.502 ' O ' ' HB2' ' A' ' 596' ' ' ALA . 0.5 OUTLIER -137.83 139.48 39.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 0.729 . . . . 1.0 110.232 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 596' ' ' ALA . . . . . 0.502 ' HB2' ' O ' ' A' ' 595' ' ' GLU . . . 175.62 160.62 0.41 Allowed Pre-proline 0 C--N 1.326 -0.419 0 O-C-N 124.551 1.157 . . . . 1.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 597' ' ' PRO . . . . . 0.491 ' O ' ' NH1' ' A' ' 591' ' ' ARG . 18.3 Cg_endo -74.96 -173.36 1.53 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.394 1.734 . . . . 1.0 111.03 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 598' ' ' GLN . . . . . 0.443 ' HA ' ' CZ ' ' A' ' 591' ' ' ARG . 11.2 pt20 -84.74 131.24 34.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 1.0 110.315 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 599' ' ' SER . . . . . 0.525 ' OG ' ' CZ2' ' A' ' 590' ' ' TRP . 0.1 OUTLIER -124.38 100.22 6.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 1.0 109.985 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 600' ' ' LEU . . . . . 0.739 HD12 ' CG ' ' A' ' 589' ' ' GLU . 0.2 OUTLIER -136.66 82.82 1.96 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.612 1.195 . . . . 1.0 109.3 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -84.3 -172.17 4.02 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.476 1.11 . . . . 1.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 602' ' ' THR . . . . . 0.729 HG22 ' O ' ' A' ' 586' ' ' ASN . 0.1 OUTLIER -118.93 -170.85 1.99 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 1.0 110.463 179.933 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 603' ' ' MET . . . . . 0.803 ' SD ' ' HB1' ' A' ' 650' ' ' ALA . 0.2 OUTLIER -125.96 37.36 4.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 1.0 110.961 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 604' ' ' GLU . . . . . 0.572 ' HB3' ' HB1' ' A' ' 654' ' ' ALA . 8.1 pt-20 -124.59 59.64 1.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.568 1.168 . . . . 1.0 110.312 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 605' ' ' GLU . . . . . 0.459 ' O ' ' CG ' ' A' ' 625' ' ' ARG . 2.5 pt-20 -158.9 -48.9 0.06 Allowed 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.499 1.125 . . . . 1.0 110.37 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 606' ' ' ILE . . . . . 1.291 HG21 ' CD2' ' A' ' 651' ' ' TYR . 0.9 OUTLIER -39.7 140.6 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.564 1.165 . . . . 1.0 109.323 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 607' ' ' GLN . . . . . 0.601 ' HG2' ' CB ' ' A' ' 625' ' ' ARG . 0.5 OUTLIER -91.01 -38.79 12.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 1.0 110.346 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 608' ' ' SER . . . . . 0.431 ' HB2' ' HD3' ' A' ' 623' ' ' LYS . 1.1 m -175.1 132.96 0.31 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 1.0 109.969 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 609' ' ' VAL . . . . . 0.967 HG22 ' CD ' ' A' ' 644' ' ' LYS . 6.3 p -104.47 139.7 24.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.486 1.116 . . . . 1.0 109.349 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 610' ' ' GLU . . . . . 0.931 ' CD ' HD23 ' A' ' 621' ' ' LEU . 0.7 OUTLIER -159.43 -171.87 3.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.115 . . . . 1.0 110.236 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 611' ' ' GLU . . . . . 0.648 ' HA ' ' HA ' ' A' ' 620' ' ' LEU . 25.2 tt0 -138.75 143.73 39.14 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.488 1.118 . . . . 1.0 110.283 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 612' ' ' THR . . . . . 0.832 HG23 ' HG3' ' A' ' 618' ' ' LYS . 0.0 OUTLIER -107.31 165.26 11.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 1.0 110.364 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -129.58 159.17 37.18 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.394 1.058 . . . . 1.0 110.314 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 614' ' ' ILE . . . . . 0.788 HG22 ' O ' ' A' ' 614' ' ' ILE . 0.1 OUTLIER -145.97 84.19 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 1.0 109.288 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 615' ' ' LYS . . . . . 0.418 ' HB2' ' O ' ' A' ' 614' ' ' ILE . 35.5 mmtt 81.8 -33.59 0.1 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.498 1.124 . . . . 1.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 616' ' ' GLU . . . . . 0.444 ' H ' ' C ' ' A' ' 614' ' ' ILE . 2.3 tt0 -156.0 -48.63 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.159 . . . . 1.0 110.311 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -157.5 137.74 12.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 1.0 110.276 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 618' ' ' LYS . . . . . 0.832 ' HG3' HG23 ' A' ' 612' ' ' THR . 0.4 OUTLIER -115.09 -95.98 0.46 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 1.0 109.266 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 619' ' ' CYS . . . . . 0.501 ' O ' ' CG ' ' A' ' 611' ' ' GLU . 17.2 m -158.39 -175.97 5.63 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.547 1.154 . . . . 1.0 108.289 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 620' ' ' LEU . . . . . 1.084 ' CD1' HD12 ' A' ' 640' ' ' LEU . 0.2 OUTLIER -101.61 130.12 47.87 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.323 1.015 . . . . 1.0 109.248 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 621' ' ' LEU . . . . . 0.931 HD23 ' CD ' ' A' ' 610' ' ' GLU . 2.8 tp -86.13 161.0 19.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.095 . . . . 1.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 622' ' ' LEU . . . . . 1.016 HD12 HD21 ' A' ' 632' ' ' LEU . 0.9 OUTLIER -158.98 83.05 0.79 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 1.0 109.28 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 623' ' ' LYS . . . . . 0.431 ' HD3' ' HB2' ' A' ' 608' ' ' SER . 0.0 OUTLIER -85.78 140.11 30.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 1.0 109.242 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 624' ' ' ILE . . . . . 0.984 HG22 ' H ' ' A' ' 626' ' ' GLY . 92.1 mt -105.53 145.13 14.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.088 . . . . 1.0 109.343 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 625' ' ' ARG . . . . . 0.601 ' CB ' ' HG2' ' A' ' 607' ' ' GLN . 3.1 ptm180 -78.37 3.02 16.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 1.0 110.263 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 626' ' ' GLY . . . . . 0.984 ' H ' HG22 ' A' ' 624' ' ' ILE . . . -90.23 -13.43 60.27 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.534 1.146 . . . . 1.0 111.027 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 106.69 43.21 1.46 Allowed Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.999 -0.84 . . . . 1.0 110.999 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 628' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -147.45 164.37 33.57 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 0.788 . . . . 1.0 109.247 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 63.5 mt-30 -135.0 147.44 49.7 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.554 1.159 . . . . 1.0 110.34 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 630' ' ' PHE . . . . . 0.491 ' CD2' ' NZ ' ' A' ' 567' ' ' LYS . 1.3 m-85 -136.04 161.94 34.29 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.546 1.154 . . . . 1.0 110.964 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 631' ' ' ILE . . . . . . . . . . . . . 2.2 mm -134.01 140.03 47.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 O-C-N 124.612 1.195 . . . . 1.0 109.344 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 632' ' ' LEU . . . . . 1.016 HD21 HD12 ' A' ' 622' ' ' LEU . 0.4 OUTLIER -124.29 157.38 35.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 1.0 109.313 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 633' ' ' GLN . . . . . 0.474 ' N ' ' O ' ' A' ' 566' ' ' SER . 30.3 tp60 -155.82 140.17 16.7 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 1.0 110.303 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 634' ' ' CYS . . . . . 0.69 ' HB2' HD23 ' A' ' 640' ' ' LEU . 0.1 OUTLIER -149.35 169.25 21.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 1.0 108.213 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 635' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -94.66 -18.67 21.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.568 1.167 . . . . 1.0 109.283 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 636' ' ' SER . . . . . 0.575 ' CB ' ' CG ' ' A' ' 639' ' ' GLU . 0.6 OUTLIER -87.74 139.97 29.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.602 1.189 . . . . 1.0 110.018 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 637' ' ' ASP . . . . . 0.63 ' N ' ' CD ' ' A' ' 638' ' ' PRO . 0.2 OUTLIER -79.94 -44.55 1.5 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.15 . . . . 1.0 109.179 -179.918 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 638' ' ' PRO . . . . . 0.63 ' CD ' ' N ' ' A' ' 637' ' ' ASP . 18.4 Cg_endo -74.99 -52.35 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.392 1.733 . . . . 1.0 111.044 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 639' ' ' GLU . . . . . 0.575 ' CG ' ' CB ' ' A' ' 636' ' ' SER . 32.9 mm-40 -26.02 -76.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 1.0 110.232 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 640' ' ' LEU . . . . . 1.084 HD12 ' CD1' ' A' ' 620' ' ' LEU . 0.3 OUTLIER -53.4 -48.33 68.77 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.41 1.069 . . . . 1.0 109.283 -179.897 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 641' ' ' VAL . . . . . 0.599 HG12 ' N ' ' A' ' 642' ' ' GLN . 0.7 OUTLIER -45.39 -56.67 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 124.426 1.079 . . . . 1.0 109.296 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 642' ' ' GLN . . . . . 0.599 ' N ' HG12 ' A' ' 641' ' ' VAL . 0.0 OUTLIER -64.34 -40.23 95.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 1.0 110.302 -179.921 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 643' ' ' TRP . . . . . 0.779 ' CZ3' ' HB2' ' A' ' 583' ' ' LEU . 18.7 m95 -56.33 -48.03 77.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 1.0 108.029 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 644' ' ' LYS . . . . . 0.967 ' CD ' HG22 ' A' ' 609' ' ' VAL . 0.0 OUTLIER -57.72 -57.68 11.68 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.478 1.111 . . . . 1.0 109.299 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 645' ' ' LYS . . . . . 0.404 ' CD ' ' OE1' ' A' ' 646' ' ' GLU . 0.0 OUTLIER -41.38 -54.88 2.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.653 1.221 . . . . 1.0 109.344 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 646' ' ' GLU . . . . . 0.599 ' CB ' HD23 ' A' ' 583' ' ' LEU . 0.1 OUTLIER -70.35 -30.13 66.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 1.0 110.322 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 647' ' ' LEU . . . . . 0.641 ' HG ' HD11 ' A' ' 583' ' ' LEU . 0.7 OUTLIER -70.0 -62.93 1.19 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.543 1.152 . . . . 1.0 109.316 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 648' ' ' ARG . . . . . 0.555 ' N ' ' O ' ' A' ' 644' ' ' LYS . 4.9 ttt85 -39.12 -54.6 1.73 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 1.0 110.243 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 649' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -61.52 -47.89 83.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 1.0 109.362 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 650' ' ' ALA . . . . . 0.803 ' HB1' ' SD ' ' A' ' 603' ' ' MET . . . -46.97 -47.24 21.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 1.0 109.354 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 651' ' ' TYR . . . . . 1.291 ' CD2' HG21 ' A' ' 606' ' ' ILE . 22.2 m-30 -76.42 -39.04 54.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.441 1.088 . . . . 1.0 110.985 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 652' ' ' ARG . . . . . 0.497 ' O ' ' HB2' ' A' ' 655' ' ' GLN . 2.8 mtt180 -62.97 -61.11 2.62 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.578 1.174 . . . . 1.0 110.306 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 653' ' ' GLU . . . . . 0.631 ' O ' HD13 ' A' ' 657' ' ' LEU . 6.3 mt-10 -47.68 -57.67 5.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.572 1.17 . . . . 1.0 110.324 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 654' ' ' ALA . . . . . 0.572 ' HB1' ' HB3' ' A' ' 604' ' ' GLU . . . -44.45 -37.59 3.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.426 1.079 . . . . 1.0 109.311 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 655' ' ' GLN . . . . . 0.541 ' HA ' HG12 ' A' ' 658' ' ' VAL . 52.1 mt-30 -71.6 -67.59 0.51 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.434 1.084 . . . . 1.0 110.297 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 656' ' ' GLN . . . . . 0.583 ' CG ' ' HA ' ' A' ' 653' ' ' GLU . 4.3 pt20 -52.07 -19.73 2.07 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 1.0 110.28 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 657' ' ' LEU . . . . . 0.631 HD13 ' O ' ' A' ' 653' ' ' GLU . 9.7 mp -86.49 -26.76 24.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.408 1.068 . . . . 1.0 109.325 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 658' ' ' VAL . . . . . 0.742 ' O ' HG13 ' A' ' 661' ' ' VAL . 4.4 p -109.99 12.94 8.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 1.0 109.373 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 659' ' ' GLN . . . . . 0.457 ' O ' HG22 ' A' ' 661' ' ' VAL . 0.0 OUTLIER -65.69 -53.05 46.32 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.437 1.085 . . . . 1.0 110.387 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 660' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.6 66.51 0.13 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.468 1.105 . . . . 1.0 110.339 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 661' ' ' VAL . . . . . 0.742 HG13 ' O ' ' A' ' 658' ' ' VAL . 2.3 m -77.02 160.56 75.97 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 1.0 109.311 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 662' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -178.64 4.31 Favored 'Trans proline' 0 C--N 1.359 1.089 0 O-C-N 124.486 1.782 . . . . 1.0 110.942 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.7 -62.13 1.6 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.509 1.131 . . . . 1.0 109.329 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 664' ' ' MET . . . . . . . . . . . . . 1.1 ttp -159.69 82.7 0.74 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 1.0 110.946 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.87 62.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 1.0 109.355 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 666' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -97.12 -51.99 4.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 1.0 109.317 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 667' ' ' LYS . . . . . 0.418 ' HA ' ' HD3' ' A' ' 668' ' ' PRO . 0.0 OUTLIER -119.42 132.45 24.0 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 1.0 109.365 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 668' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 667' ' ' LYS . 18.4 Cg_endo -74.92 -37.31 2.14 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.478 1.778 . . . . 1.0 110.986 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 65.73 161.14 0.14 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.504 1.128 . . . . 1.0 110.328 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 31.2 p . . . . . 0 C--O 1.251 1.147 0 CA-C-O 117.021 -1.466 . . . . 1.0 110.047 179.928 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.07 0 N-CA-C 110.97 -0.852 . . . . 1.0 110.97 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 553' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -178.76 152.28 0.6 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 0.741 . . . . 1.0 110.0 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 554' ' ' HIS . . . . . . . . . . . . . 2.9 p-80 -175.87 110.66 0.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.55 1.156 . . . . 1.0 109.57 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 555' ' ' MET . . . . . 0.548 ' HG3' ' CZ ' ' A' ' 587' ' ' ARG . 0.0 OUTLIER -159.14 142.03 14.31 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.474 1.108 . . . . 1.0 110.989 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . -108.6 177.63 20.7 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.483 1.115 . . . . 1.0 110.974 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.83 48.93 0.79 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 0.776 . . . . 1.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 558' ' ' ASP . . . . . 0.426 ' O ' ' HG3' ' A' ' 585' ' ' PRO . 1.6 t70 -154.99 99.97 2.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.574 1.171 . . . . 1.0 109.216 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 559' ' ' CYS . . . . . . . . . . . . . 36.5 t -69.38 139.95 54.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.601 1.188 . . . . 1.0 108.297 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 560' ' ' ILE . . . . . 0.922 HD11 ' HA ' ' A' ' 585' ' ' PRO . 10.6 mt -85.75 -61.11 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.607 1.192 . . . . 1.0 109.242 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 561' ' ' MET . . . . . 0.452 ' SD ' ' CD1' ' A' ' 643' ' ' TRP . 0.0 OUTLIER -139.65 137.01 34.91 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.598 1.186 . . . . 1.0 110.989 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 562' ' ' HIS . . . . . 0.488 ' N ' ' CD2' ' A' ' 562' ' ' HIS . 3.1 p80 -140.65 162.03 36.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 1.0 109.551 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 563' ' ' GLY . . . . . 0.54 ' HA2' ' CZ ' ' A' ' 580' ' ' TYR . . . 146.97 -159.78 28.1 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.427 1.08 . . . . 1.0 111.104 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 564' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -85.3 126.51 33.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 0.779 . . . . 1.0 111.08 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 565' ' ' MET . . . . . 0.641 ' O ' ' O ' ' A' ' 579' ' ' ARG . 0.0 OUTLIER -140.88 122.12 14.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 1.0 111.025 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 566' ' ' SER . . . . . 0.403 ' HB2' ' HA ' ' A' ' 578' ' ' ARG . 0.9 OUTLIER -85.26 130.67 34.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 1.0 110.03 -179.949 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 567' ' ' LYS . . . . . 0.554 ' HE2' ' CZ ' ' A' ' 581' ' ' PHE . 7.3 ttpt -146.55 157.33 43.71 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 1.0 109.326 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 568' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 174.62 167.33 0.26 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 1.0 111.013 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 569' ' ' GLY . . . . . . . . . . . . . . . -178.34 123.1 0.85 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.482 1.114 . . . . 1.0 110.931 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 570' ' ' ASN . . . . . 0.579 ' CB ' ' CD ' ' A' ' 571' ' ' PRO . 0.0 OUTLIER -165.2 -178.06 0.71 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.511 0.771 . . . . 1.0 109.34 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 571' ' ' PRO . . . . . 0.579 ' CD ' ' CB ' ' A' ' 570' ' ' ASN . 18.2 Cg_endo -75.01 22.85 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.547 1.814 . . . . 1.0 111.053 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 572' ' ' PHE . . . . . 0.502 ' H ' ' C ' ' A' ' 570' ' ' ASN . 28.2 m-85 -143.92 85.11 1.8 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.607 1.192 . . . . 1.0 110.981 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -87.87 86.75 7.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 1.0 109.252 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 574' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -159.96 -21.95 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 1.0 110.353 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 575' ' ' GLN . . . . . 0.594 ' O ' ' CD1' ' A' ' 576' ' ' TRP . 14.8 pt20 -99.51 178.98 4.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 1.0 110.266 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 576' ' ' TRP . . . . . 0.594 ' CD1' ' O ' ' A' ' 575' ' ' GLN . 27.3 m0 -145.96 136.33 23.96 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.011 -1.107 . . . . 1.0 108.011 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.21 114.82 24.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.414 1.071 . . . . 1.0 110.334 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 578' ' ' ARG . . . . . 0.417 ' NH1' ' HB3' ' A' ' 576' ' ' TRP . 0.0 OUTLIER -93.96 117.69 30.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 1.0 110.322 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 579' ' ' ARG . . . . . 0.808 ' NH1' ' HB3' ' A' ' 596' ' ' ALA . 16.1 mtp180 -141.77 165.64 26.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.341 1.025 . . . . 1.0 110.255 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 580' ' ' TYR . . . . . 0.54 ' CZ ' ' HA2' ' A' ' 563' ' ' GLY . 1.0 OUTLIER -96.45 126.03 41.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.409 1.068 . . . . 1.0 111.035 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 581' ' ' PHE . . . . . 0.554 ' CZ ' ' HE2' ' A' ' 567' ' ' LYS . 10.8 m-85 -118.64 176.39 5.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.15 . . . . 1.0 110.985 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 582' ' ' TYR . . . . . 0.478 ' CE1' ' HB2' ' A' ' 562' ' ' HIS . 0.4 OUTLIER -150.56 107.89 3.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 1.0 111.039 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 583' ' ' LEU . . . . . 0.872 HD23 ' O ' ' A' ' 583' ' ' LEU . 0.4 OUTLIER -87.88 113.7 23.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 1.0 109.282 -179.928 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 584' ' ' PHE . . . . . 0.671 ' CD2' ' HD2' ' A' ' 585' ' ' PRO . 0.1 OUTLIER -94.98 -177.02 0.61 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.425 1.078 . . . . 1.0 111.031 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 585' ' ' PRO . . . . . 0.922 ' HA ' HD11 ' A' ' 560' ' ' ILE . 18.2 Cg_endo -74.95 14.55 0.83 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.509 1.794 . . . . 1.0 111.077 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 586' ' ' ASN . . . . . 1.043 ' O ' ' HG3' ' A' ' 603' ' ' MET . 19.2 m-20 171.95 -44.97 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.442 1.089 . . . . 1.0 109.361 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 587' ' ' ARG . . . . . 0.628 ' O ' ' HB2' ' A' ' 584' ' ' PHE . 0.0 OUTLIER -93.41 -173.19 3.14 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.483 1.114 . . . . 1.0 110.295 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 588' ' ' LEU . . . . . 0.62 HD12 ' N ' ' A' ' 589' ' ' GLU . 0.1 OUTLIER -166.99 142.5 4.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 1.0 109.303 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 589' ' ' GLU . . . . . 0.62 ' N ' HD12 ' A' ' 588' ' ' LEU . 33.5 tt0 -124.23 133.67 53.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 1.0 110.329 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 590' ' ' TRP . . . . . 0.553 ' CE3' ' HB2' ' A' ' 598' ' ' GLN . 2.9 p-90 -80.75 147.27 30.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 1.0 108.028 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 591' ' ' ARG . . . . . 0.481 ' N ' ' O ' ' A' ' 580' ' ' TYR . 0.1 OUTLIER -144.73 154.69 43.01 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.523 1.139 . . . . 1.0 110.303 -179.894 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . 144.22 171.05 13.98 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.536 1.147 . . . . 1.0 110.973 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 593' ' ' GLU . . . . . 0.47 ' O ' ' NH2' ' A' ' 579' ' ' ARG . 0.6 OUTLIER -88.23 175.39 7.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.563 0.802 . . . . 1.0 110.336 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . 65.3 -122.47 23.39 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.493 1.12 . . . . 1.0 110.987 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 595' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -170.4 163.72 8.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.555 0.797 . . . . 1.0 110.303 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 596' ' ' ALA . . . . . 0.808 ' HB3' ' NH1' ' A' ' 579' ' ' ARG . . . -177.27 168.55 1.16 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.435 1.085 . . . . 1.0 109.303 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 597' ' ' PRO . . . . . 0.614 ' HD2' ' HB1' ' A' ' 596' ' ' ALA . 18.3 Cg_endo -74.99 82.49 1.99 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.536 1.808 . . . . 1.0 111.025 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 598' ' ' GLN . . . . . 0.553 ' HB2' ' CE3' ' A' ' 590' ' ' TRP . 4.8 mt-30 -145.51 164.61 31.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 1.0 110.281 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 599' ' ' SER . . . . . 0.529 ' O ' ' CD1' ' A' ' 590' ' ' TRP . 6.0 m -155.51 -146.38 0.18 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.48 1.112 . . . . 1.0 109.923 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 600' ' ' LEU . . . . . 0.495 ' HA ' ' O ' ' A' ' 588' ' ' LEU . 0.9 OUTLIER -130.84 80.67 1.96 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 1.0 109.268 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 4.1 mt -82.41 -171.13 3.29 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.128 . . . . 1.0 109.219 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 602' ' ' THR . . . . . 0.472 HG22 ' O ' ' A' ' 586' ' ' ASN . 0.2 OUTLIER -117.89 -147.93 0.42 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 1.0 110.461 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 603' ' ' MET . . . . . 1.043 ' HG3' ' O ' ' A' ' 586' ' ' ASN . 0.0 OUTLIER -135.99 41.7 2.65 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.545 1.153 . . . . 1.0 110.999 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 604' ' ' GLU . . . . . 0.406 ' O ' ' HG3' ' A' ' 604' ' ' GLU . 14.2 pt-20 -124.8 55.84 1.33 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.542 1.151 . . . . 1.0 110.382 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 605' ' ' GLU . . . . . 0.613 ' HB2' HG23 ' A' ' 624' ' ' ILE . 3.2 pt-20 -158.22 -55.62 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 1.0 110.29 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 606' ' ' ILE . . . . . 1.167 HG21 ' CD2' ' A' ' 651' ' ' TYR . 1.3 mp -35.82 130.38 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.426 1.079 . . . . 1.0 109.309 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 607' ' ' GLN . . . . . 0.551 ' CG ' ' CB ' ' A' ' 625' ' ' ARG . 0.0 OUTLIER -87.64 -36.07 17.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 1.0 110.391 179.91 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 2.7 m -173.29 139.27 0.77 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.563 1.164 . . . . 1.0 110.023 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 609' ' ' VAL . . . . . 0.915 HG22 ' CD ' ' A' ' 644' ' ' LYS . 2.7 p -108.75 135.55 47.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.454 1.096 . . . . 1.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 610' ' ' GLU . . . . . 0.795 ' HG3' HD23 ' A' ' 621' ' ' LEU . 0.5 OUTLIER -152.54 -170.17 3.56 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.48 1.112 . . . . 1.0 110.301 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 611' ' ' GLU . . . . . 0.505 ' HA ' ' HA ' ' A' ' 620' ' ' LEU . 22.2 tt0 -141.01 144.67 35.15 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.498 1.123 . . . . 1.0 110.291 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 612' ' ' THR . . . . . 0.838 HG23 ' HG3' ' A' ' 618' ' ' LYS . 0.0 OUTLIER -108.21 165.44 11.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 1.0 110.394 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 7.6 mp0 -128.32 160.22 32.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 1.0 110.323 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 614' ' ' ILE . . . . . 0.795 HG22 ' O ' ' A' ' 614' ' ' ILE . 0.1 OUTLIER -144.57 81.37 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.574 1.172 . . . . 1.0 109.24 -179.921 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 615' ' ' LYS . . . . . 0.449 ' HB2' ' O ' ' A' ' 614' ' ' ILE . 7.1 mmtt 80.76 -30.23 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 1.0 109.374 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 616' ' ' GLU . . . . . 0.46 ' H ' ' C ' ' A' ' 614' ' ' ILE . 1.0 OUTLIER -157.12 -48.83 0.07 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.502 1.126 . . . . 1.0 110.257 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 617' ' ' ARG . . . . . 0.446 ' NH2' ' OD1' ' A' ' 637' ' ' ASP . 0.0 OUTLIER -157.97 136.76 11.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.115 . . . . 1.0 110.335 179.945 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 618' ' ' LYS . . . . . 0.838 ' HG3' HG23 ' A' ' 612' ' ' THR . 11.0 tptt -113.72 -98.96 0.43 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.577 1.173 . . . . 1.0 109.325 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 619' ' ' CYS . . . . . 0.481 ' SG ' ' HB2' ' A' ' 633' ' ' GLN . 96.3 m -156.04 -176.78 6.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.443 1.089 . . . . 1.0 108.227 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 620' ' ' LEU . . . . . 1.07 ' CD1' HD12 ' A' ' 640' ' ' LEU . 0.3 OUTLIER -97.24 135.47 39.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.152 . . . . 1.0 109.306 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 621' ' ' LEU . . . . . 0.808 HD12 ' H ' ' A' ' 622' ' ' LEU . 2.3 tp -93.98 160.17 14.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.408 1.067 . . . . 1.0 109.17 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 622' ' ' LEU . . . . . 1.042 HD13 HD21 ' A' ' 632' ' ' LEU . 0.0 OUTLIER -158.03 79.92 0.84 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.396 1.06 . . . . 1.0 109.277 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 623' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.82 138.07 37.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 1.0 109.212 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 624' ' ' ILE . . . . . 0.983 HG22 ' H ' ' A' ' 626' ' ' GLY . 45.3 mt -104.22 144.17 14.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 1.0 109.312 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 625' ' ' ARG . . . . . 0.551 ' CB ' ' CG ' ' A' ' 607' ' ' GLN . 4.1 ptm180 -79.07 3.56 17.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 1.0 110.221 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 626' ' ' GLY . . . . . 0.983 ' H ' HG22 ' A' ' 624' ' ' ILE . . . -88.98 -19.54 50.55 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.457 1.098 . . . . 1.0 111.039 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 115.02 38.62 1.02 Allowed Glycine 0 CA--C 1.53 0.993 0 N-CA-C 111.024 -0.831 . . . . 1.0 111.024 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 628' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -142.94 170.9 14.83 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 0.772 . . . . 1.0 109.25 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -142.89 136.48 28.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 1.0 110.322 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 630' ' ' PHE . . . . . 0.448 ' O ' ' N ' ' A' ' 622' ' ' LEU . 0.4 OUTLIER -122.49 148.37 45.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.147 . . . . 1.0 110.992 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 631' ' ' ILE . . . . . 0.504 ' O ' HG22 ' A' ' 631' ' ' ILE . 0.0 OUTLIER -134.8 111.02 13.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 1.0 109.363 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 632' ' ' LEU . . . . . 1.042 HD21 HD13 ' A' ' 622' ' ' LEU . 0.2 OUTLIER -121.41 157.96 29.37 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.495 1.122 . . . . 1.0 109.316 -179.945 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 633' ' ' GLN . . . . . 0.532 ' HG3' ' N ' ' A' ' 634' ' ' CYS . 25.3 tp60 -149.47 162.11 40.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 1.0 110.302 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 634' ' ' CYS . . . . . 0.532 ' N ' ' HG3' ' A' ' 633' ' ' GLN . 0.8 OUTLIER -143.04 144.34 32.24 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 1.0 108.316 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 635' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.49 -21.22 66.61 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.541 1.151 . . . . 1.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 636' ' ' SER . . . . . 0.519 ' HB2' ' CB ' ' A' ' 639' ' ' GLU . 4.1 m -89.62 160.09 16.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.091 . . . . 1.0 110.024 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 637' ' ' ASP . . . . . 0.626 ' N ' ' CD ' ' A' ' 638' ' ' PRO . 0.2 OUTLIER -89.54 -44.93 0.42 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 1.0 109.298 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 638' ' ' PRO . . . . . 0.626 ' CD ' ' N ' ' A' ' 637' ' ' ASP . 18.4 Cg_endo -74.98 -56.23 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.428 1.752 . . . . 1.0 111.022 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 639' ' ' GLU . . . . . 0.595 ' C ' ' O ' ' A' ' 638' ' ' PRO . 4.7 tt0 -20.7 -82.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.596 1.185 . . . . 1.0 110.342 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 640' ' ' LEU . . . . . 1.07 HD12 ' CD1' ' A' ' 620' ' ' LEU . 0.1 OUTLIER -49.74 -48.49 50.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.156 . . . . 1.0 109.275 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 641' ' ' VAL . . . . . 0.589 HG12 ' N ' ' A' ' 642' ' ' GLN . 0.8 OUTLIER -45.19 -55.59 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 1.0 109.345 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 642' ' ' GLN . . . . . 0.589 ' N ' HG12 ' A' ' 641' ' ' VAL . 0.0 OUTLIER -63.79 -40.41 96.59 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.486 1.117 . . . . 1.0 110.282 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 643' ' ' TRP . . . . . 0.544 ' CZ3' ' CB ' ' A' ' 583' ' ' LEU . 34.8 m95 -55.76 -44.28 77.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 1.0 107.934 -179.858 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 644' ' ' LYS . . . . . 0.915 ' CD ' HG22 ' A' ' 609' ' ' VAL . 12.5 ttpt -61.28 -60.91 3.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.563 1.164 . . . . 1.0 109.355 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 645' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 644' ' ' LYS . 0.0 OUTLIER -38.38 -53.46 1.51 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 1.0 109.312 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 646' ' ' GLU . . . . . 0.554 ' HG2' HG22 ' A' ' 560' ' ' ILE . 0.4 OUTLIER -72.46 -30.53 64.64 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.426 1.079 . . . . 1.0 110.238 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 647' ' ' LEU . . . . . 0.93 HD22 ' OH ' ' A' ' 651' ' ' TYR . 11.4 mt -70.52 -60.16 2.42 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.459 1.099 . . . . 1.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 648' ' ' ARG . . . . . 0.569 ' N ' ' O ' ' A' ' 644' ' ' LYS . 11.1 ttm180 -40.81 -55.06 2.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 1.0 110.355 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 649' ' ' ASP . . . . . 0.415 ' OD1' ' CD ' ' A' ' 653' ' ' GLU . 33.7 t0 -57.71 -46.48 84.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.46 1.1 . . . . 1.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 650' ' ' ALA . . . . . 0.519 ' O ' ' SD ' ' A' ' 603' ' ' MET . . . -48.89 -50.36 35.36 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.512 1.133 . . . . 1.0 109.234 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 651' ' ' TYR . . . . . 1.167 ' CD2' HG21 ' A' ' 606' ' ' ILE . 2.7 m-30 -72.36 -37.21 68.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 1.0 110.954 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 652' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 655' ' ' GLN . 17.3 mtt180 -64.02 -64.99 0.74 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.417 1.073 . . . . 1.0 110.255 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 653' ' ' GLU . . . . . 0.529 ' O ' ' N ' ' A' ' 657' ' ' LEU . 0.1 OUTLIER -41.16 -55.45 2.63 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.456 1.098 . . . . 1.0 110.284 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 654' ' ' ALA . . . . . 0.943 ' HB2' ' SD ' ' A' ' 603' ' ' MET . . . -47.82 -39.88 19.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 1.0 109.255 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 655' ' ' GLN . . . . . 0.494 ' HA ' HG12 ' A' ' 658' ' ' VAL . 91.2 mt-30 -70.36 -69.52 0.35 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.496 1.122 . . . . 1.0 110.249 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 656' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -52.81 -20.63 3.39 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.541 1.15 . . . . 1.0 110.301 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 657' ' ' LEU . . . . . 0.529 ' N ' ' O ' ' A' ' 653' ' ' GLU . 39.5 mt -88.14 -22.02 24.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 1.0 109.346 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 658' ' ' VAL . . . . . 0.494 HG12 ' HA ' ' A' ' 655' ' ' GLN . 0.6 OUTLIER -115.78 15.49 7.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.407 1.067 . . . . 1.0 109.384 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 659' ' ' GLN . . . . . 0.479 ' N ' ' O ' ' A' ' 655' ' ' GLN . 0.0 OUTLIER -75.43 -59.18 2.86 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.44 1.087 . . . . 1.0 110.322 179.949 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 660' ' ' ARG . . . . . . . . . . . . . 68.4 mtt180 -67.81 65.75 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 1.0 110.337 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 661' ' ' VAL . . . . . 0.437 ' N ' ' O ' ' A' ' 659' ' ' GLN . 68.0 t -71.51 127.64 90.88 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 1.0 109.358 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 662' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 661' ' ' VAL . 18.1 Cg_endo -75.0 111.46 3.33 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.501 1.79 . . . . 1.0 110.983 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 15.0 tttt -82.24 -61.63 1.85 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.158 . . . . 1.0 109.348 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 664' ' ' MET . . . . . . . . . . . . . 27.0 mmt -71.9 -9.74 58.77 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 1.0 110.977 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 665' ' ' LYS . . . . . 0.465 ' HD2' ' CG ' ' A' ' 668' ' ' PRO . 2.2 mmtm 67.73 83.09 0.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 1.0 109.238 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 666' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -90.93 62.86 5.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 1.0 109.316 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 667' ' ' LYS . . . . . 0.603 ' CB ' ' HD3' ' A' ' 668' ' ' PRO . 0.0 OUTLIER -158.0 -64.95 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.15 . . . . 1.0 109.262 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 668' ' ' PRO . . . . . 0.603 ' HD3' ' CB ' ' A' ' 667' ' ' LYS . 18.1 Cg_endo -74.99 41.41 0.74 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.503 1.791 . . . . 1.0 110.993 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 669' ' ' ARG . . . . . 0.454 ' H ' ' C ' ' A' ' 667' ' ' LYS . 0.6 OUTLIER -69.19 125.72 27.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 1.0 110.295 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 33.4 t . . . . . 0 C--O 1.25 1.105 0 CA-C-O 117.06 -1.447 . . . . 1.0 109.992 179.959 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 110.982 -0.847 . . . . 1.0 110.982 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 553' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.67 -58.56 1.82 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.416 0.715 . . . . 1.0 109.999 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 554' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -171.39 62.89 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 1.0 109.6 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 555' ' ' MET . . . . . . . . . . . . . 10.1 mtt -157.2 144.92 18.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 1.0 110.98 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . -101.77 -177.9 28.19 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.495 1.122 . . . . 1.0 111.001 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.95 71.04 1.39 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.472 0.748 . . . . 1.0 109.259 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 558' ' ' ASP . . . . . 0.496 ' O ' ' HD3' ' A' ' 585' ' ' PRO . 14.0 t0 -154.67 107.08 2.76 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.115 . . . . 1.0 109.281 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 559' ' ' CYS . . . . . 0.487 ' SG ' ' CD2' ' A' ' 582' ' ' TYR . 42.4 t -69.12 145.7 53.14 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.491 1.119 . . . . 1.0 108.245 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 560' ' ' ILE . . . . . 0.748 HD11 ' HA ' ' A' ' 585' ' ' PRO . 10.7 mt -92.5 -58.03 3.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 1.0 109.309 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 561' ' ' MET . . . . . 0.55 ' CG ' ' OE1' ' A' ' 646' ' ' GLU . 0.0 OUTLIER -117.29 142.61 46.86 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.503 1.127 . . . . 1.0 110.992 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 562' ' ' HIS . . . . . . . . . . . . . 13.7 p-80 -146.02 163.13 36.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 1.0 109.581 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 563' ' ' GLY . . . . . 0.435 ' O ' ' CD1' ' A' ' 580' ' ' TYR . . . 128.7 -159.5 22.11 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.493 1.121 . . . . 1.0 110.981 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 564' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -91.34 127.69 36.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 0.792 . . . . 1.0 110.966 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 565' ' ' MET . . . . . 0.612 ' O ' ' O ' ' A' ' 579' ' ' ARG . 0.0 OUTLIER -143.29 125.86 15.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 1.0 111.083 179.939 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 566' ' ' SER . . . . . 0.537 ' OG ' ' O ' ' A' ' 633' ' ' GLN . 0.1 OUTLIER -100.3 142.99 31.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.123 . . . . 1.0 110.012 -179.944 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 567' ' ' LYS . . . . . 0.52 ' HG2' ' O ' ' A' ' 631' ' ' ILE . 0.6 OUTLIER -160.86 164.13 31.53 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.377 1.048 . . . . 1.0 109.242 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 568' ' ' MET . . . . . 0.504 ' N ' ' CD ' ' A' ' 567' ' ' LYS . 0.0 OUTLIER 174.11 172.0 0.2 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.437 1.086 . . . . 1.0 110.955 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 569' ' ' GLY . . . . . . . . . . . . . . . -175.09 133.06 2.33 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.496 1.123 . . . . 1.0 110.958 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 570' ' ' ASN . . . . . 0.541 ' CB ' ' CD ' ' A' ' 571' ' ' PRO . 1.2 m-20 -168.97 -179.67 0.72 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.565 0.803 . . . . 1.0 109.276 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 571' ' ' PRO . . . . . 0.561 ' O ' ' CD1' ' A' ' 572' ' ' PHE . 18.5 Cg_endo -74.87 4.71 4.43 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.412 1.743 . . . . 1.0 111.07 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 572' ' ' PHE . . . . . 0.561 ' CD1' ' O ' ' A' ' 571' ' ' PRO . 11.0 m-85 -152.43 78.2 1.21 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 1.0 111.063 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 573' ' ' LEU . . . . . 0.484 ' HA ' HD12 ' A' ' 573' ' ' LEU . 2.8 tp -81.58 88.16 6.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 1.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 574' ' ' THR . . . . . 0.518 ' O ' ' CG2' ' A' ' 574' ' ' THR . 0.3 OUTLIER -136.95 10.02 3.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 1.0 110.385 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 575' ' ' GLN . . . . . 0.59 ' O ' ' CD1' ' A' ' 576' ' ' TRP . 28.7 pt20 -120.99 -179.25 3.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 1.0 110.296 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 576' ' ' TRP . . . . . 0.59 ' CD1' ' O ' ' A' ' 575' ' ' GLN . 12.6 m0 -156.51 125.69 6.08 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.514 1.134 . . . . 1.0 107.979 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 577' ' ' GLN . . . . . 0.423 ' O ' ' HB2' ' A' ' 566' ' ' SER . 19.0 pt20 -128.47 118.25 22.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 1.0 110.242 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 578' ' ' ARG . . . . . 0.467 ' HA ' ' HB2' ' A' ' 566' ' ' SER . 0.0 OUTLIER -85.3 120.44 26.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 1.0 110.341 179.916 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 579' ' ' ARG . . . . . 0.612 ' O ' ' O ' ' A' ' 565' ' ' MET . 0.7 OUTLIER -136.26 161.94 34.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.393 1.058 . . . . 1.0 110.35 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 580' ' ' TYR . . . . . 0.435 ' CD1' ' O ' ' A' ' 563' ' ' GLY . 0.3 OUTLIER -88.71 131.78 34.87 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.471 1.107 . . . . 1.0 111.065 179.94 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 581' ' ' PHE . . . . . 0.506 ' CG ' ' HB3' ' A' ' 590' ' ' TRP . 2.5 m-85 -124.09 160.09 28.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.425 1.078 . . . . 1.0 111.019 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 582' ' ' TYR . . . . . 0.487 ' CD2' ' SG ' ' A' ' 559' ' ' CYS . 0.1 OUTLIER -138.97 115.45 10.52 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.614 1.196 . . . . 1.0 110.993 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 583' ' ' LEU . . . . . 0.756 ' HB2' ' CZ3' ' A' ' 643' ' ' TRP . 7.9 tp -88.93 110.38 21.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 1.0 109.262 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 584' ' ' PHE . . . . . 0.617 ' HB2' ' C ' ' A' ' 587' ' ' ARG . 6.7 m-85 -96.43 171.7 5.93 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.439 1.087 . . . . 1.0 110.959 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 585' ' ' PRO . . . . . 0.748 ' HA ' HD11 ' A' ' 560' ' ' ILE . 18.3 Cg_endo -75.02 7.32 2.92 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.509 1.794 . . . . 1.0 111.016 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 586' ' ' ASN . . . . . 0.709 ' HA ' ' CG ' ' A' ' 603' ' ' MET . 37.2 m-20 -174.29 -38.45 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 1.0 109.349 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 587' ' ' ARG . . . . . 0.62 ' HA ' ' HA ' ' A' ' 602' ' ' THR . 0.8 OUTLIER -91.07 -162.64 0.93 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 1.0 110.236 -179.942 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 588' ' ' LEU . . . . . 0.565 ' C ' HD12 ' A' ' 588' ' ' LEU . 0.1 OUTLIER 171.45 112.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 1.0 109.321 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 589' ' ' GLU . . . . . 0.545 ' HB2' HD12 ' A' ' 600' ' ' LEU . 30.5 tt0 -123.31 149.57 44.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 1.0 110.222 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 590' ' ' TRP . . . . . 0.506 ' HB3' ' CG ' ' A' ' 581' ' ' PHE . 0.4 OUTLIER -133.94 147.46 51.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 1.0 108.037 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.78 176.54 7.19 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 1.0 110.269 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . 168.69 -123.26 1.08 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.492 1.12 . . . . 1.0 111.097 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -61.24 175.47 0.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 0.769 . . . . 1.0 110.289 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . -111.17 -170.28 19.11 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.455 1.097 . . . . 1.0 111.042 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 595' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 62.94 15.53 8.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.441 0.73 . . . . 1.0 110.312 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . -123.21 159.47 54.33 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.483 1.114 . . . . 1.0 109.302 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 597' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 179.75 5.77 Favored 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.471 1.774 . . . . 1.0 111.063 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 598' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -87.55 154.1 20.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 1.0 110.277 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 599' ' ' SER . . . . . 0.41 ' CB ' ' CE2' ' A' ' 590' ' ' TRP . 16.4 m -136.61 98.4 3.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 1.0 109.996 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 600' ' ' LEU . . . . . 0.545 HD12 ' HB2' ' A' ' 589' ' ' GLU . 8.7 tt -134.61 102.58 5.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.437 1.085 . . . . 1.0 109.31 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -107.16 -172.89 2.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.592 1.182 . . . . 1.0 109.239 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 602' ' ' THR . . . . . 0.62 ' HA ' ' HA ' ' A' ' 587' ' ' ARG . 0.0 OUTLIER -116.28 -166.33 1.14 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.416 1.072 . . . . 1.0 110.444 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 603' ' ' MET . . . . . 0.709 ' CG ' ' HA ' ' A' ' 586' ' ' ASN . 0.1 OUTLIER -127.0 38.54 4.08 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.543 1.152 . . . . 1.0 111.043 -179.934 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 604' ' ' GLU . . . . . 0.595 ' HB3' ' HB1' ' A' ' 654' ' ' ALA . 9.7 pt-20 -126.72 59.56 1.37 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.425 1.078 . . . . 1.0 110.348 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 605' ' ' GLU . . . . . 0.477 ' O ' ' C ' ' A' ' 606' ' ' ILE . 3.5 pt-20 -159.01 -57.17 0.07 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.144 . . . . 1.0 110.306 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 606' ' ' ILE . . . . . 1.227 HG21 ' CD2' ' A' ' 651' ' ' TYR . 1.2 mp -34.58 136.49 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 1.0 109.317 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 607' ' ' GLN . . . . . 0.518 ' HG3' ' HA ' ' A' ' 625' ' ' ARG . 0.0 OUTLIER -88.84 -37.94 14.98 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.57 1.169 . . . . 1.0 110.296 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 1.9 m -175.1 134.81 0.34 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 1.0 110.063 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 609' ' ' VAL . . . . . 0.969 HG22 ' CD ' ' A' ' 644' ' ' LYS . 3.9 p -107.6 141.68 22.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.097 . . . . 1.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 610' ' ' GLU . . . . . 0.822 ' HG3' HD23 ' A' ' 621' ' ' LEU . 0.3 OUTLIER -157.77 -167.29 2.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 1.0 110.297 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 611' ' ' GLU . . . . . 0.647 ' HA ' ' HA ' ' A' ' 620' ' ' LEU . 28.6 tt0 -138.28 147.12 43.28 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.489 1.118 . . . . 1.0 110.294 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 612' ' ' THR . . . . . 0.713 HG23 ' HG3' ' A' ' 618' ' ' LYS . 0.0 OUTLIER -112.27 163.09 14.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.415 1.072 . . . . 1.0 110.419 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 5.9 mp0 -127.42 163.79 23.27 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 1.0 110.322 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 614' ' ' ILE . . . . . 0.8 HG22 ' O ' ' A' ' 614' ' ' ILE . 0.2 OUTLIER -147.53 82.97 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 1.0 109.325 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 615' ' ' LYS . . . . . 0.425 ' HB2' ' O ' ' A' ' 614' ' ' ILE . 13.7 mttt 81.32 -31.36 0.11 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.437 1.086 . . . . 1.0 109.297 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 616' ' ' GLU . . . . . 0.46 ' H ' ' C ' ' A' ' 614' ' ' ILE . 0.7 OUTLIER -156.86 -49.6 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 1.0 110.366 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 37.7 ttm-85 -157.83 138.15 12.68 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.588 1.18 . . . . 1.0 110.387 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 618' ' ' LYS . . . . . 0.767 ' HG2' HD12 ' A' ' 614' ' ' ILE . 0.0 OUTLIER -117.49 -98.64 0.45 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 1.0 109.299 -179.948 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 619' ' ' CYS . . . . . 0.484 ' O ' ' CG ' ' A' ' 611' ' ' GLU . 1.6 m -157.12 -170.22 3.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 1.0 108.198 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 620' ' ' LEU . . . . . 1.13 HD13 HD12 ' A' ' 640' ' ' LEU . 0.1 OUTLIER -99.67 154.47 18.27 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.521 1.138 . . . . 1.0 109.359 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 621' ' ' LEU . . . . . 0.822 HD23 ' HG3' ' A' ' 610' ' ' GLU . 0.6 OUTLIER -112.26 159.08 18.97 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.498 1.124 . . . . 1.0 109.357 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 622' ' ' LEU . . . . . 0.93 ' CD1' HD11 ' A' ' 632' ' ' LEU . 6.6 mt -153.83 87.25 1.21 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.561 1.163 . . . . 1.0 109.366 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 623' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.26 135.07 33.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 1.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 624' ' ' ILE . . . . . 0.967 HG22 ' H ' ' A' ' 626' ' ' GLY . 65.2 mt -103.24 143.88 14.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.097 . . . . 1.0 109.272 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 625' ' ' ARG . . . . . 0.518 ' HA ' ' HG3' ' A' ' 607' ' ' GLN . 0.0 OUTLIER -78.89 3.45 16.92 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.5 1.125 . . . . 1.0 110.317 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 626' ' ' GLY . . . . . 0.967 ' H ' HG22 ' A' ' 624' ' ' ILE . . . -91.55 -27.58 17.07 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.563 1.164 . . . . 1.0 110.957 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 123.24 46.5 0.27 Allowed Glycine 0 CA--C 1.529 0.94 0 N-CA-C 111.003 -0.839 . . . . 1.0 111.003 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 628' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.64 169.57 18.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 0.755 . . . . 1.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 11.5 mp0 -145.34 142.83 29.75 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.532 1.145 . . . . 1.0 110.319 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 630' ' ' PHE . . . . . 0.505 ' CG ' ' HE2' ' A' ' 567' ' ' LYS . 0.8 OUTLIER -131.74 164.31 26.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 1.0 111.044 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 631' ' ' ILE . . . . . 0.52 ' O ' ' HG2' ' A' ' 567' ' ' LYS . 0.3 OUTLIER -143.74 111.05 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 1.0 109.32 -179.926 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 632' ' ' LEU . . . . . 0.93 HD11 ' CD1' ' A' ' 622' ' ' LEU . 0.7 OUTLIER -85.81 163.14 18.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.565 1.166 . . . . 1.0 109.256 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 633' ' ' GLN . . . . . 0.537 ' O ' ' OG ' ' A' ' 566' ' ' SER . 2.5 tm0? -156.31 120.6 4.49 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.451 1.094 . . . . 1.0 110.344 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 634' ' ' CYS . . . . . 0.919 ' HB3' HD23 ' A' ' 640' ' ' LEU . 2.7 p -127.0 154.18 44.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 1.0 108.283 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 635' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.72 -10.46 53.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 1.0 109.356 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 636' ' ' SER . . . . . 0.54 ' HB2' ' HB2' ' A' ' 639' ' ' GLU . 17.1 m -96.32 -174.56 3.1 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.546 1.154 . . . . 1.0 110.036 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 637' ' ' ASP . . . . . 0.726 ' H ' ' HD2' ' A' ' 638' ' ' PRO . 0.4 OUTLIER -110.76 -49.61 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.16 . . . . 1.0 109.341 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 638' ' ' PRO . . . . . 0.726 ' HD2' ' H ' ' A' ' 637' ' ' ASP . 18.3 Cg_endo -74.98 -50.34 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.557 1.819 . . . . 1.0 111.009 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 639' ' ' GLU . . . . . 0.58 ' C ' ' O ' ' A' ' 638' ' ' PRO . 38.6 mm-40 -21.93 -81.09 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.576 1.172 . . . . 1.0 110.332 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 640' ' ' LEU . . . . . 1.13 HD12 HD13 ' A' ' 620' ' ' LEU . 0.1 OUTLIER -52.89 -47.86 67.6 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 1.0 109.269 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 641' ' ' VAL . . . . . 0.568 HG12 ' N ' ' A' ' 642' ' ' GLN . 0.5 OUTLIER -43.98 -55.53 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.592 1.182 . . . . 1.0 109.347 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 642' ' ' GLN . . . . . 0.568 ' N ' HG12 ' A' ' 641' ' ' VAL . 0.0 OUTLIER -65.72 -39.57 91.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.602 1.189 . . . . 1.0 110.293 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 643' ' ' TRP . . . . . 0.756 ' CZ3' ' HB2' ' A' ' 583' ' ' LEU . 22.6 m95 -56.03 -43.14 77.53 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.968 -1.123 . . . . 1.0 107.968 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 644' ' ' LYS . . . . . 0.969 ' CD ' HG22 ' A' ' 609' ' ' VAL . 0.1 OUTLIER -62.8 -61.03 2.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 1.0 109.315 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 645' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 644' ' ' LYS . 7.4 tmtt? -38.17 -51.13 1.44 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.426 1.079 . . . . 1.0 109.337 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 646' ' ' GLU . . . . . 0.661 ' OE1' HG22 ' A' ' 560' ' ' ILE . 22.3 mt-10 -73.05 -34.21 66.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 1.0 110.342 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 647' ' ' LEU . . . . . 0.573 ' HG ' HD11 ' A' ' 583' ' ' LEU . 0.5 OUTLIER -67.54 -60.39 2.6 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.553 1.158 . . . . 1.0 109.337 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 648' ' ' ARG . . . . . 0.533 ' N ' ' O ' ' A' ' 644' ' ' LYS . 0.3 OUTLIER -40.83 -55.13 2.53 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.539 1.15 . . . . 1.0 110.277 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 649' ' ' ASP . . . . . 0.423 ' O ' ' N ' ' A' ' 653' ' ' GLU . 37.5 t0 -63.13 -46.55 86.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 1.0 109.354 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 650' ' ' ALA . . . . . 0.482 ' HB1' ' SD ' ' A' ' 603' ' ' MET . . . -47.6 -46.71 28.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.086 . . . . 1.0 109.204 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 651' ' ' TYR . . . . . 1.227 ' CD2' HG21 ' A' ' 606' ' ' ILE . 21.5 m-30 -75.61 -41.73 53.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.122 . . . . 1.0 111.037 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 652' ' ' ARG . . . . . 0.52 ' O ' ' HB2' ' A' ' 655' ' ' GLN . 0.2 OUTLIER -61.13 -62.13 2.06 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.545 1.153 . . . . 1.0 110.285 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 653' ' ' GLU . . . . . 0.615 ' O ' HD13 ' A' ' 657' ' ' LEU . 2.3 mt-10 -45.42 -56.81 4.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.614 1.196 . . . . 1.0 110.217 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 654' ' ' ALA . . . . . 0.595 ' HB1' ' HB3' ' A' ' 604' ' ' GLU . . . -46.17 -35.35 5.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.572 1.17 . . . . 1.0 109.315 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 655' ' ' GLN . . . . . 0.569 ' HA ' HG12 ' A' ' 658' ' ' VAL . 57.6 mt-30 -74.76 -67.5 0.63 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.501 1.125 . . . . 1.0 110.267 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 656' ' ' GLN . . . . . 0.532 ' CG ' ' HA ' ' A' ' 653' ' ' GLU . 2.4 pt20 -52.17 -20.05 2.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 1.0 110.257 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 657' ' ' LEU . . . . . 0.615 HD13 ' O ' ' A' ' 653' ' ' GLU . 10.8 mp -86.94 -25.95 24.11 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.503 1.127 . . . . 1.0 109.272 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 658' ' ' VAL . . . . . 0.718 ' O ' HG13 ' A' ' 661' ' ' VAL . 4.0 p -110.16 13.45 8.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 1.0 109.372 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 659' ' ' GLN . . . . . 0.574 ' O ' HG22 ' A' ' 661' ' ' VAL . 0.2 OUTLIER -65.63 -58.37 5.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.571 1.169 . . . . 1.0 110.286 -179.922 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 660' ' ' ARG . . . . . . . . . . . . . 1.7 ttt-85 -72.62 65.82 0.69 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.631 1.207 . . . . 1.0 110.314 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 661' ' ' VAL . . . . . 0.718 HG13 ' O ' ' A' ' 658' ' ' VAL . 0.1 OUTLIER -85.1 163.45 45.59 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 1.0 109.269 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 662' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -174.83 2.08 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.566 1.824 . . . . 1.0 111.031 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.66 124.89 23.09 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.479 1.112 . . . . 1.0 109.266 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 664' ' ' MET . . . . . 0.405 ' HA ' ' CE ' ' A' ' 664' ' ' MET . 0.0 OUTLIER 66.46 114.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 1.0 110.941 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 665' ' ' LYS . . . . . 0.478 ' O ' ' CB ' ' A' ' 666' ' ' ASN . 5.7 pttt -93.57 88.01 5.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 1.0 109.26 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 666' ' ' ASN . . . . . 0.478 ' CB ' ' O ' ' A' ' 665' ' ' LYS . 34.2 t30 80.25 -49.52 0.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 1.0 109.348 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.56 143.5 0.6 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 1.0 109.423 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 668' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -38.94 1.37 Allowed 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.53 1.805 . . . . 1.0 110.967 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 6.9 ttt-85 177.27 162.12 0.48 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 1.0 110.302 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.085 0 CA-C-O 117.074 -1.441 . . . . 1.0 110.006 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.048 0 N-CA-C 110.948 -0.861 . . . . 1.0 110.948 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 553' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -172.29 161.12 5.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.589 0.817 . . . . 1.0 110.046 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 554' ' ' HIS . . . . . . . . . . . . . 12.5 m170 -118.45 137.06 53.42 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.55 1.156 . . . . 1.0 109.656 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 555' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -125.44 105.29 8.95 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.454 1.096 . . . . 1.0 110.962 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . 58.31 -152.01 30.42 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.388 1.055 . . . . 1.0 110.977 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 75.8 tttt -122.94 -105.11 0.37 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 0.784 . . . . 1.0 109.269 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 558' ' ' ASP . . . . . 0.647 ' O ' ' CE2' ' A' ' 584' ' ' PHE . 0.3 OUTLIER -151.09 22.3 0.76 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.559 1.162 . . . . 1.0 109.346 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 559' ' ' CYS . . . . . 0.469 ' HA ' ' HD3' ' A' ' 585' ' ' PRO . 2.0 t -169.52 131.13 1.12 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.455 1.097 . . . . 1.0 108.238 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 560' ' ' ILE . . . . . 0.829 HD11 ' HA ' ' A' ' 585' ' ' PRO . 6.4 mt -100.51 -55.93 5.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.599 1.187 . . . . 1.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 561' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -150.51 150.6 31.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 1.0 111.026 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 562' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -150.9 156.87 42.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.115 . . . . 1.0 109.632 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 563' ' ' GLY . . . . . . . . . . . . . . . 165.34 -167.35 38.83 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.564 1.165 . . . . 1.0 111.017 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 564' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -98.26 121.39 40.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 0.785 . . . . 1.0 110.953 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 565' ' ' MET . . . . . 0.627 ' HA ' ' SG ' ' A' ' 634' ' ' CYS . 3.2 mtm -125.05 -156.15 0.71 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 1.0 110.979 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -154.35 133.35 12.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 1.0 110.044 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 567' ' ' LYS . . . . . 0.474 ' HE2' ' CD1' ' A' ' 630' ' ' PHE . 6.7 ttmt -132.57 148.37 52.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.421 1.076 . . . . 1.0 109.246 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 568' ' ' MET . . . . . 0.456 ' N ' ' HG2' ' A' ' 567' ' ' LYS . 0.0 OUTLIER -164.41 168.93 17.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 1.0 111.022 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 569' ' ' GLY . . . . . 0.416 ' C ' ' CG ' ' A' ' 570' ' ' ASN . . . 160.83 114.11 0.33 Allowed Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.444 1.09 . . . . 1.0 111.063 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 570' ' ' ASN . . . . . 0.585 ' CB ' ' CD ' ' A' ' 571' ' ' PRO . 0.0 OUTLIER -165.73 -177.01 0.56 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.485 0.756 . . . . 1.0 109.334 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 571' ' ' PRO . . . . . 0.585 ' CD ' ' CB ' ' A' ' 570' ' ' ASN . 18.1 Cg_endo -75.05 6.68 3.27 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.468 1.773 . . . . 1.0 110.966 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 572' ' ' PHE . . . . . 0.564 ' CE2' ' HG2' ' A' ' 571' ' ' PRO . 11.9 m-85 -138.19 85.79 2.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 1.0 110.967 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.09 79.83 9.38 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.486 1.116 . . . . 1.0 109.26 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 574' ' ' THR . . . . . 0.456 HG23 ' O ' ' A' ' 574' ' ' THR . 0.4 OUTLIER -147.52 2.28 0.73 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.565 1.166 . . . . 1.0 110.431 -179.953 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 575' ' ' GLN . . . . . 0.586 ' O ' ' CD1' ' A' ' 576' ' ' TRP . 26.5 pt20 -126.56 168.32 14.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 1.0 110.291 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 576' ' ' TRP . . . . . 0.586 ' CD1' ' O ' ' A' ' 575' ' ' GLN . 1.9 m-90 -145.77 124.42 12.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 1.0 108.09 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 577' ' ' GLN . . . . . 0.482 ' NE2' HH22 ' A' ' 579' ' ' ARG . 5.7 mt-30 -107.76 120.19 41.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 1.0 110.346 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 578' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.76 109.41 20.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 1.0 110.328 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 579' ' ' ARG . . . . . 0.482 HH22 ' NE2' ' A' ' 577' ' ' GLN . 1.7 mtt-85 -126.52 165.1 19.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 1.0 110.283 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 580' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -87.86 125.86 34.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 1.0 111.034 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 581' ' ' PHE . . . . . 0.596 ' CE1' ' CB ' ' A' ' 590' ' ' TRP . 0.2 OUTLIER -113.12 160.3 18.35 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.454 1.096 . . . . 1.0 111.045 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 582' ' ' TYR . . . . . 0.545 ' O ' ' HA ' ' A' ' 588' ' ' LEU . 1.7 m-85 -146.74 107.6 4.15 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.564 1.165 . . . . 1.0 110.905 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 583' ' ' LEU . . . . . 0.818 HD23 ' O ' ' A' ' 583' ' ' LEU . 0.7 OUTLIER -89.99 112.06 23.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.532 1.145 . . . . 1.0 109.341 179.874 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 584' ' ' PHE . . . . . 0.647 ' CE2' ' O ' ' A' ' 558' ' ' ASP . 0.8 OUTLIER -101.59 176.0 2.07 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 1.0 110.971 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 585' ' ' PRO . . . . . 0.829 ' HA ' HD11 ' A' ' 560' ' ' ILE . 18.3 Cg_endo -74.93 3.09 5.88 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.508 1.794 . . . . 1.0 111.031 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 586' ' ' ASN . . . . . 0.644 ' HA ' ' CG ' ' A' ' 603' ' ' MET . 56.8 m-80 -168.96 -42.2 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.443 1.089 . . . . 1.0 109.239 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 587' ' ' ARG . . . . . 0.489 ' O ' ' CB ' ' A' ' 588' ' ' LEU . 1.3 mtp85 -88.39 -171.67 3.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 1.0 110.26 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 588' ' ' LEU . . . . . 0.998 HD12 ' N ' ' A' ' 589' ' ' GLU . 0.1 OUTLIER 165.04 133.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 1.0 109.219 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 589' ' ' GLU . . . . . 0.998 ' N ' HD12 ' A' ' 588' ' ' LEU . 6.6 pt-20 -131.98 169.52 16.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 1.0 110.327 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 590' ' ' TRP . . . . . 0.596 ' CB ' ' CE1' ' A' ' 581' ' ' PHE . 17.3 p-90 -153.13 93.71 1.76 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 1.0 108.013 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 9.3 mmt180 -152.81 -93.0 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.563 1.164 . . . . 1.0 110.326 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . -175.62 -178.84 45.76 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.406 1.066 . . . . 1.0 111.008 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 593' ' ' GLU . . . . . 0.422 ' O ' ' CD ' ' A' ' 593' ' ' GLU . 0.0 OUTLIER -89.73 158.13 17.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 0.785 . . . . 1.0 110.269 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . 75.26 142.44 0.94 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.428 1.08 . . . . 1.0 111.009 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 595' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 77.47 176.65 0.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 0.742 . . . . 1.0 110.252 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . -84.23 156.6 63.05 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.094 . . . . 1.0 109.281 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 597' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 171.97 17.28 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.557 1.82 . . . . 1.0 111.022 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 598' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -144.09 -53.27 0.33 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 1.0 110.279 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 599' ' ' SER . . . . . . . . . . . . . 2.8 m -105.29 90.92 3.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 1.0 110.022 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 600' ' ' LEU . . . . . 0.542 ' O ' HD12 ' A' ' 601' ' ' LEU . 1.2 pp -136.61 138.58 41.33 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.538 1.149 . . . . 1.0 109.346 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 601' ' ' LEU . . . . . 0.542 HD12 ' O ' ' A' ' 600' ' ' LEU . 1.6 mp -140.56 -167.59 2.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.577 1.173 . . . . 1.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 602' ' ' THR . . . . . 0.513 HG22 ' O ' ' A' ' 586' ' ' ASN . 0.0 OUTLIER -118.23 -169.71 1.75 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 1.0 110.387 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 603' ' ' MET . . . . . 0.834 ' SD ' ' HB1' ' A' ' 650' ' ' ALA . 0.3 OUTLIER -113.96 39.74 2.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 1.0 110.984 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 604' ' ' GLU . . . . . 0.568 ' HB3' ' HB1' ' A' ' 654' ' ' ALA . 12.5 pt-20 -124.95 54.52 1.41 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.402 1.064 . . . . 1.0 110.323 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 605' ' ' GLU . . . . . 0.486 ' O ' ' C ' ' A' ' 606' ' ' ILE . 2.9 pt-20 -157.93 -50.47 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 1.0 110.308 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 606' ' ' ILE . . . . . 1.37 HG21 ' CD2' ' A' ' 651' ' ' TYR . 0.9 OUTLIER -33.49 133.69 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.558 1.161 . . . . 1.0 109.372 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 607' ' ' GLN . . . . . 0.632 ' HG2' ' CB ' ' A' ' 625' ' ' ARG . 0.5 OUTLIER -90.69 -37.7 13.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 1.0 110.312 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 4.7 m -172.45 128.07 0.54 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.437 1.085 . . . . 1.0 109.977 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 609' ' ' VAL . . . . . 0.792 HG22 ' CD ' ' A' ' 644' ' ' LYS . 7.6 p -93.71 130.53 42.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 1.0 109.326 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 610' ' ' GLU . . . . . 0.845 ' CD ' HD23 ' A' ' 621' ' ' LEU . 0.9 OUTLIER -150.45 -176.14 5.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 1.0 110.261 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 611' ' ' GLU . . . . . 0.506 ' HA ' ' HA ' ' A' ' 620' ' ' LEU . 14.5 tt0 -143.2 133.95 25.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 1.0 110.356 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 612' ' ' THR . . . . . 0.738 HG23 ' HG3' ' A' ' 618' ' ' LYS . 0.0 OUTLIER -90.16 161.61 15.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.564 1.165 . . . . 1.0 110.35 -179.937 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 8.0 mp0 -128.36 155.35 44.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 1.0 110.324 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 614' ' ' ILE . . . . . 0.788 HG22 ' O ' ' A' ' 614' ' ' ILE . 0.2 OUTLIER -142.51 83.59 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.559 1.162 . . . . 1.0 109.331 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 615' ' ' LYS . . . . . 0.43 ' HB2' ' O ' ' A' ' 614' ' ' ILE . 9.8 mmtt 83.24 -32.45 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 1.0 109.263 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 616' ' ' GLU . . . . . 0.433 ' H ' ' C ' ' A' ' 614' ' ' ILE . 1.0 OUTLIER -156.97 -50.25 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 1.0 110.358 -179.929 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 1.8 ttt85 -157.71 138.43 13.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.564 1.165 . . . . 1.0 110.245 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 618' ' ' LYS . . . . . 0.777 ' HB2' HD12 ' A' ' 614' ' ' ILE . 7.5 tptt -115.24 -95.69 0.46 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.4 1.063 . . . . 1.0 109.347 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 619' ' ' CYS . . . . . 0.463 ' HB2' HD12 ' A' ' 631' ' ' ILE . 85.9 m -154.01 173.66 15.7 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.496 1.122 . . . . 1.0 108.268 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 620' ' ' LEU . . . . . 0.996 HD13 ' CD1' ' A' ' 640' ' ' LEU . 0.3 OUTLIER -93.11 132.1 37.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 1.0 109.266 -179.952 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 621' ' ' LEU . . . . . 0.845 HD23 ' CD ' ' A' ' 610' ' ' GLU . 1.3 tp -95.61 161.39 14.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 1.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 622' ' ' LEU . . . . . 1.169 HD21 ' OH ' ' A' ' 651' ' ' TYR . 0.0 OUTLIER -148.23 75.68 1.34 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 1.0 109.302 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 623' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.15 141.62 57.32 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.533 1.146 . . . . 1.0 109.315 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 624' ' ' ILE . . . . . 0.67 HG22 ' H ' ' A' ' 626' ' ' GLY . 11.6 mt -113.7 148.2 16.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.107 . . . . 1.0 109.313 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 625' ' ' ARG . . . . . 0.632 ' CB ' ' HG2' ' A' ' 607' ' ' GLN . 9.1 ptp180 -77.68 3.57 13.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.574 1.171 . . . . 1.0 110.376 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 626' ' ' GLY . . . . . 0.67 ' H ' HG22 ' A' ' 624' ' ' ILE . . . -95.92 -5.45 59.74 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.521 1.138 . . . . 1.0 111.02 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 93.51 35.69 6.13 Favored Glycine 0 CA--C 1.531 1.046 0 N-CA-C 110.987 -0.845 . . . . 1.0 110.987 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 628' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.42 121.6 16.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 0.789 . . . . 1.0 109.324 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 15.7 mp0 -98.96 144.98 27.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 1.0 110.355 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 630' ' ' PHE . . . . . 0.644 ' O ' HD12 ' A' ' 621' ' ' LEU . 0.8 OUTLIER -127.62 144.5 51.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 1.0 110.989 -179.887 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 631' ' ' ILE . . . . . 0.616 HD13 ' O ' ' A' ' 620' ' ' LEU . 0.3 OUTLIER -128.96 107.27 15.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.347 1.03 . . . . 1.0 109.292 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 632' ' ' LEU . . . . . 0.756 HD21 ' CD1' ' A' ' 622' ' ' LEU . 0.4 OUTLIER -121.76 166.75 13.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 1.0 109.267 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 633' ' ' GLN . . . . . 0.45 ' HG3' ' SG ' ' A' ' 619' ' ' CYS . 2.2 tm0? -151.09 -178.48 6.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.427 1.079 . . . . 1.0 110.351 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 634' ' ' CYS . . . . . 0.627 ' SG ' ' HA ' ' A' ' 565' ' ' MET . 0.5 OUTLIER -154.39 163.54 40.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 1.0 108.365 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 635' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -85.13 -23.04 28.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 1.0 109.312 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 636' ' ' SER . . . . . 0.504 ' CB ' ' HG3' ' A' ' 639' ' ' GLU . 0.5 OUTLIER -91.33 150.08 21.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.438 1.086 . . . . 1.0 110.037 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 637' ' ' ASP . . . . . 0.595 ' N ' ' CD ' ' A' ' 638' ' ' PRO . 0.7 OUTLIER -81.08 -47.0 1.14 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 1.0 109.282 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 638' ' ' PRO . . . . . 0.595 ' CD ' ' N ' ' A' ' 637' ' ' ASP . 18.1 Cg_endo -74.96 -51.99 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.522 1.801 . . . . 1.0 111.053 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 639' ' ' GLU . . . . . 0.558 ' C ' ' O ' ' A' ' 638' ' ' PRO . 20.5 mt-10 -25.89 -82.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.565 1.166 . . . . 1.0 110.325 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 640' ' ' LEU . . . . . 0.996 ' CD1' HD13 ' A' ' 620' ' ' LEU . 0.2 OUTLIER -46.39 -47.58 18.76 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.466 1.104 . . . . 1.0 109.324 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 641' ' ' VAL . . . . . 0.566 HG12 ' N ' ' A' ' 642' ' ' GLN . 0.7 OUTLIER -46.67 -54.62 2.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 1.0 109.279 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 642' ' ' GLN . . . . . 0.566 ' N ' HG12 ' A' ' 641' ' ' VAL . 0.0 OUTLIER -64.34 -39.19 93.4 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.545 1.153 . . . . 1.0 110.273 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 643' ' ' TRP . . . . . 0.622 ' CZ3' ' CB ' ' A' ' 583' ' ' LEU . 24.2 m95 -55.04 -45.87 75.26 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.002 -1.11 . . . . 1.0 108.002 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 644' ' ' LYS . . . . . 0.792 ' CD ' HG22 ' A' ' 609' ' ' VAL . 0.1 OUTLIER -55.27 -58.35 8.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.625 1.203 . . . . 1.0 109.427 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 645' ' ' LYS . . . . . 0.401 ' HB3' ' OE1' ' A' ' 646' ' ' GLU . 2.5 tmtm? -41.42 -54.68 3.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.438 1.087 . . . . 1.0 109.236 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 646' ' ' GLU . . . . . 0.754 ' HG2' HG22 ' A' ' 560' ' ' ILE . 0.8 OUTLIER -66.8 -33.6 75.98 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.456 1.098 . . . . 1.0 110.318 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 647' ' ' LEU . . . . . 0.934 HD22 ' OH ' ' A' ' 651' ' ' TYR . 23.2 mt -65.03 -62.35 1.6 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 1.0 109.276 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 648' ' ' ARG . . . . . 0.459 ' HG3' ' CG1' ' A' ' 609' ' ' VAL . 2.6 ttp180 -38.55 -59.77 0.88 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 1.0 110.289 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 649' ' ' ASP . . . . . 0.456 ' O ' ' N ' ' A' ' 653' ' ' GLU . 42.4 t0 -57.3 -44.53 84.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 1.0 109.332 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 650' ' ' ALA . . . . . 0.834 ' HB1' ' SD ' ' A' ' 603' ' ' MET . . . -51.77 -54.11 32.23 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.126 . . . . 1.0 109.207 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 651' ' ' TYR . . . . . 1.37 ' CD2' HG21 ' A' ' 606' ' ' ILE . 4.1 m-30 -67.09 -23.03 65.81 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.468 1.105 . . . . 1.0 110.976 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 652' ' ' ARG . . . . . 0.559 ' O ' ' HG2' ' A' ' 655' ' ' GLN . 15.2 mtp-105 -82.28 -71.5 0.48 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.46 1.1 . . . . 1.0 110.339 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 653' ' ' GLU . . . . . 0.461 ' O ' ' HG ' ' A' ' 657' ' ' LEU . 0.1 OUTLIER -37.22 -31.59 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.553 1.158 . . . . 1.0 110.27 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 654' ' ' ALA . . . . . 0.578 ' HB3' ' O ' ' A' ' 603' ' ' MET . . . -77.36 -51.77 10.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.11 . . . . 1.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 655' ' ' GLN . . . . . 0.559 ' HG2' ' O ' ' A' ' 652' ' ' ARG . 1.5 pt20 -51.62 -36.23 45.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 1.0 110.297 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 656' ' ' GLN . . . . . 0.486 ' N ' ' HG3' ' A' ' 655' ' ' GLN . 1.2 tp60 -65.62 -14.31 60.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 1.0 110.28 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 657' ' ' LEU . . . . . 0.496 ' CD1' ' HA ' ' A' ' 654' ' ' ALA . 7.3 mt -86.3 -34.83 20.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 1.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 658' ' ' VAL . . . . . 0.473 ' O ' HG13 ' A' ' 658' ' ' VAL . 0.8 OUTLIER -110.84 17.58 7.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.568 1.167 . . . . 1.0 109.324 -179.947 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 659' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' A' ' 655' ' ' GLN . 0.0 OUTLIER -64.39 -59.3 4.52 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.533 1.146 . . . . 1.0 110.246 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 660' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -67.92 65.66 0.09 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.569 1.168 . . . . 1.0 110.286 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 661' ' ' VAL . . . . . 0.545 ' O ' HG13 ' A' ' 661' ' ' VAL . 12.6 p -125.28 107.15 27.51 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 1.0 109.31 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 662' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 -178.92 4.48 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.508 1.794 . . . . 1.0 110.964 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 1.8 ttpm? -80.16 -65.24 1.03 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.528 1.142 . . . . 1.0 109.317 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 664' ' ' MET . . . . . . . . . . . . . 4.2 ttp -128.24 82.2 2.07 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.595 1.185 . . . . 1.0 110.998 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -156.35 177.69 11.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.089 . . . . 1.0 109.335 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 666' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 48.43 66.16 1.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.352 1.033 . . . . 1.0 109.342 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 9.7 mmtt 66.77 101.8 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 1.0 109.267 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 668' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -35.66 3.01 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.537 1.809 . . . . 1.0 110.968 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.21 162.23 32.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 1.0 110.24 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.062 0 CA-C-O 117.018 -1.468 . . . . 1.0 110.01 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 111.042 -0.823 . . . . 1.0 111.042 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 553' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -124.44 106.68 10.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 0.743 . . . . 1.0 110.02 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 554' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -157.46 164.9 36.95 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.601 1.188 . . . . 1.0 109.574 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 555' ' ' MET . . . . . . . . . . . . . 1.9 ptt? -97.54 147.02 24.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.573 1.17 . . . . 1.0 111.035 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . -75.5 -176.76 39.95 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.523 1.139 . . . . 1.0 111.039 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -144.27 62.81 1.33 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.597 0.822 . . . . 1.0 109.347 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 558' ' ' ASP . . . . . 0.508 ' O ' ' HD3' ' A' ' 585' ' ' PRO . 1.2 m-20 -155.1 107.1 2.67 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.435 1.084 . . . . 1.0 109.296 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 559' ' ' CYS . . . . . . . . . . . . . 47.6 t -69.23 142.32 54.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 1.0 108.224 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 560' ' ' ILE . . . . . 0.779 HD11 ' HA ' ' A' ' 585' ' ' PRO . 53.2 mt -84.29 -59.0 3.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 1.0 109.34 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 561' ' ' MET . . . . . 0.435 ' SD ' ' OE2' ' A' ' 646' ' ' GLU . 0.0 OUTLIER -143.84 129.22 18.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 1.0 110.983 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 562' ' ' HIS . . . . . 0.514 ' HA ' ' CZ2' ' A' ' 643' ' ' TRP . 0.2 OUTLIER -130.03 156.45 44.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 1.0 109.561 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 563' ' ' GLY . . . . . 0.566 ' CA ' ' CE1' ' A' ' 580' ' ' TYR . . . 166.82 -172.0 41.84 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.497 1.123 . . . . 1.0 111.054 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 564' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -100.25 122.21 42.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 0.775 . . . . 1.0 111.043 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 565' ' ' MET . . . . . 0.576 ' SD ' ' CD2' ' A' ' 643' ' ' TRP . 2.5 ptt? -153.21 140.37 19.42 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.519 1.137 . . . . 1.0 110.993 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 566' ' ' SER . . . . . 0.493 ' HB2' ' HA ' ' A' ' 578' ' ' ARG . 0.3 OUTLIER -93.16 153.77 18.45 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 1.0 110.001 179.945 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 567' ' ' LYS . . . . . 0.521 ' HD3' ' CD1' ' A' ' 630' ' ' PHE . 4.1 tmmm? -161.87 158.52 25.57 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.504 1.127 . . . . 1.0 109.373 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 568' ' ' MET . . . . . 0.425 ' N ' ' HD2' ' A' ' 567' ' ' LYS . 0.0 OUTLIER 167.41 167.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.593 1.183 . . . . 1.0 110.989 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 569' ' ' GLY . . . . . 0.421 ' C ' ' CG ' ' A' ' 570' ' ' ASN . . . -177.66 129.07 1.38 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.513 1.133 . . . . 1.0 110.969 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 570' ' ' ASN . . . . . 0.589 ' CB ' ' CD ' ' A' ' 571' ' ' PRO . 0.0 OUTLIER -165.91 -177.33 0.59 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.538 0.787 . . . . 1.0 109.263 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 571' ' ' PRO . . . . . 0.589 ' CD ' ' CB ' ' A' ' 570' ' ' ASN . 18.3 Cg_endo -75.01 2.4 6.67 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.454 1.765 . . . . 1.0 111.048 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 572' ' ' PHE . . . . . 0.571 ' CE2' ' HG2' ' A' ' 571' ' ' PRO . 3.5 m-85 -139.97 83.24 1.91 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.446 1.091 . . . . 1.0 110.899 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 573' ' ' LEU . . . . . 0.451 HD12 ' HA ' ' A' ' 573' ' ' LEU . 2.9 tp -86.04 81.29 8.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.534 1.146 . . . . 1.0 109.286 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 574' ' ' THR . . . . . 0.574 HG23 ' O ' ' A' ' 574' ' ' THR . 0.4 OUTLIER -138.33 11.4 2.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 1.0 110.325 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 575' ' ' GLN . . . . . 0.577 ' O ' ' CD1' ' A' ' 576' ' ' TRP . 14.4 pt20 -126.58 167.0 16.25 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.425 1.078 . . . . 1.0 110.329 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 576' ' ' TRP . . . . . 0.577 ' CD1' ' O ' ' A' ' 575' ' ' GLN . 4.9 m-90 -155.5 120.93 4.93 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.994 -1.113 . . . . 1.0 107.994 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 577' ' ' GLN . . . . . 0.422 ' O ' ' HB2' ' A' ' 566' ' ' SER . 63.1 mt-30 -134.78 121.69 21.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 1.0 110.28 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 578' ' ' ARG . . . . . 0.493 ' HA ' ' HB2' ' A' ' 566' ' ' SER . 0.0 OUTLIER -86.31 139.99 30.49 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.473 1.108 . . . . 1.0 110.214 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 579' ' ' ARG . . . . . 0.572 ' HB2' ' CE1' ' A' ' 581' ' ' PHE . 59.9 mtp180 -146.07 154.72 42.16 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.462 1.101 . . . . 1.0 110.277 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 580' ' ' TYR . . . . . 0.566 ' CE1' ' CA ' ' A' ' 563' ' ' GLY . 0.5 OUTLIER -97.98 118.44 34.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.433 1.083 . . . . 1.0 110.992 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 581' ' ' PHE . . . . . 0.674 ' CD1' ' HA ' ' A' ' 590' ' ' TRP . 12.9 m-30 -115.08 172.95 6.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.604 1.19 . . . . 1.0 110.929 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 582' ' ' TYR . . . . . 0.472 ' CA ' ' HH2' ' A' ' 643' ' ' TRP . 21.9 m-85 -136.03 124.02 22.82 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 1.0 110.999 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 583' ' ' LEU . . . . . 0.732 HD11 ' HG ' ' A' ' 647' ' ' LEU . 7.7 tp -88.45 111.82 22.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 1.0 109.305 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 584' ' ' PHE . . . . . 0.523 ' HB2' ' C ' ' A' ' 587' ' ' ARG . 7.1 m-85 -100.91 171.86 5.04 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.548 1.155 . . . . 1.0 110.979 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 585' ' ' PRO . . . . . 0.779 ' HA ' HD11 ' A' ' 560' ' ' ILE . 18.1 Cg_endo -75.09 15.36 0.76 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.555 1.818 . . . . 1.0 110.981 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 586' ' ' ASN . . . . . 0.704 ' HA ' ' CG ' ' A' ' 603' ' ' MET . 0.7 OUTLIER 176.39 -40.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 1.0 109.3 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 587' ' ' ARG . . . . . 0.62 ' HA ' ' HA ' ' A' ' 602' ' ' THR . 0.0 OUTLIER -86.38 -167.54 1.91 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 1.0 110.271 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 588' ' ' LEU . . . . . 0.576 ' C ' HD12 ' A' ' 588' ' ' LEU . 0.1 OUTLIER 179.0 106.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 1.0 109.307 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 589' ' ' GLU . . . . . 0.43 ' O ' ' HA ' ' A' ' 581' ' ' PHE . 0.0 OUTLIER -93.43 111.79 23.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.579 1.174 . . . . 1.0 110.285 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 590' ' ' TRP . . . . . 0.674 ' HA ' ' CD1' ' A' ' 581' ' ' PHE . 1.3 p-90 -112.04 99.67 8.26 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 107.984 -1.117 . . . . 1.0 107.984 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 1.9 mmt180 -132.19 169.63 16.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 1.0 110.282 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . 155.13 -140.19 7.2 Favored Glycine 0 CA--C 1.528 0.88 0 O-C-N 124.58 1.175 . . . . 1.0 111.02 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -78.09 170.52 16.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.396 0.703 . . . . 1.0 110.222 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . 84.34 -142.69 20.57 Favored Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.534 1.146 . . . . 1.0 110.97 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 595' ' ' GLU . . . . . 0.451 ' O ' ' HB2' ' A' ' 596' ' ' ALA . 0.5 OUTLIER -175.5 161.34 2.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 0.759 . . . . 1.0 110.325 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 596' ' ' ALA . . . . . 0.451 ' HB2' ' O ' ' A' ' 595' ' ' GLU . . . 178.38 158.55 0.61 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.431 1.082 . . . . 1.0 109.313 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 597' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.1 -22.04 15.06 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.54 1.811 . . . . 1.0 111.004 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 598' ' ' GLN . . . . . 0.53 ' HB3' ' CZ2' ' A' ' 590' ' ' TRP . 0.0 OUTLIER -101.58 149.38 24.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 1.0 110.332 179.924 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 599' ' ' SER . . . . . 0.518 ' O ' ' CD1' ' A' ' 590' ' ' TRP . 16.2 t -155.38 -45.06 0.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 1.0 109.985 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 600' ' ' LEU . . . . . 0.921 HD13 ' O ' ' A' ' 600' ' ' LEU . 0.0 OUTLIER -89.43 145.22 25.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 1.0 109.301 -179.932 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 601' ' ' LEU . . . . . 0.744 ' N ' HD22 ' A' ' 600' ' ' LEU . 44.3 tp -164.98 163.66 20.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.568 1.168 . . . . 1.0 109.244 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 602' ' ' THR . . . . . 0.62 ' HA ' ' HA ' ' A' ' 587' ' ' ARG . 0.0 OUTLIER -114.84 -166.18 1.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 1.0 110.49 179.94 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 603' ' ' MET . . . . . 0.785 ' SD ' ' HB1' ' A' ' 650' ' ' ALA . 0.2 OUTLIER -125.38 38.72 4.12 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.445 1.091 . . . . 1.0 111.025 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 604' ' ' GLU . . . . . 0.587 ' HB3' ' HB1' ' A' ' 654' ' ' ALA . 10.7 pt-20 -126.16 58.82 1.34 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.45 1.094 . . . . 1.0 110.31 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 605' ' ' GLU . . . . . 0.566 ' OE2' HD11 ' A' ' 601' ' ' LEU . 3.1 pt-20 -157.68 -52.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 1.0 110.238 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 606' ' ' ILE . . . . . 1.313 HG21 ' CD2' ' A' ' 651' ' ' TYR . 0.9 OUTLIER -36.66 134.1 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.478 1.111 . . . . 1.0 109.321 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 607' ' ' GLN . . . . . 0.643 ' HG2' ' CB ' ' A' ' 625' ' ' ARG . 0.1 OUTLIER -83.74 -41.25 17.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.091 . . . . 1.0 110.243 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 608' ' ' SER . . . . . 0.462 ' O ' ' CD ' ' A' ' 623' ' ' LYS . 3.4 m -176.63 132.72 0.21 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.432 1.083 . . . . 1.0 110.064 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 609' ' ' VAL . . . . . 0.786 HG22 ' CD ' ' A' ' 644' ' ' LYS . 9.6 p -98.05 150.44 4.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 1.0 109.302 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 610' ' ' GLU . . . . . 1.013 ' HB2' HD23 ' A' ' 621' ' ' LEU . 0.6 OUTLIER -162.41 -168.53 1.87 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.372 1.045 . . . . 1.0 110.404 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 611' ' ' GLU . . . . . 0.549 ' HA ' ' HA ' ' A' ' 620' ' ' LEU . 32.2 tt0 -145.09 148.72 33.97 Favored 'General case' 0 C--N 1.322 -0.6 0 O-C-N 124.643 1.215 . . . . 1.0 110.346 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 612' ' ' THR . . . . . 0.877 HG23 ' HG3' ' A' ' 618' ' ' LYS . 0.1 OUTLIER -115.82 166.31 12.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 1.0 110.337 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 613' ' ' GLN . . . . . 0.469 ' N ' ' HB3' ' A' ' 618' ' ' LYS . 10.9 mt-30 -134.09 156.55 48.06 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.47 1.106 . . . . 1.0 110.301 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 614' ' ' ILE . . . . . 0.749 HG22 ' O ' ' A' ' 614' ' ' ILE . 0.0 OUTLIER -140.29 85.29 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 1.0 109.296 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 615' ' ' LYS . . . . . 0.402 ' HB2' ' O ' ' A' ' 614' ' ' ILE . 11.4 mmtm 81.29 -35.71 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 1.0 109.295 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 616' ' ' GLU . . . . . 0.442 ' H ' ' C ' ' A' ' 614' ' ' ILE . 2.5 tt0 -156.12 -44.31 0.08 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.493 1.121 . . . . 1.0 110.277 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 2.7 ttm180 -154.7 136.15 14.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.101 . . . . 1.0 110.317 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 618' ' ' LYS . . . . . 0.877 ' HG3' HG23 ' A' ' 612' ' ' THR . 5.8 tptt -117.42 -95.33 0.48 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 1.0 109.299 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 619' ' ' CYS . . . . . 0.474 ' O ' ' CG ' ' A' ' 611' ' ' GLU . 6.9 m -158.96 -170.7 3.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.527 1.142 . . . . 1.0 108.335 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 620' ' ' LEU . . . . . 1.065 ' CD1' HD12 ' A' ' 640' ' ' LEU . 0.1 OUTLIER -104.26 143.32 33.12 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.464 1.102 . . . . 1.0 109.268 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 621' ' ' LEU . . . . . 1.013 HD23 ' HB2' ' A' ' 610' ' ' GLU . 5.7 tp -94.43 159.49 15.08 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.526 1.142 . . . . 1.0 109.261 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 622' ' ' LEU . . . . . 0.883 HD21 ' HE2' ' A' ' 651' ' ' TYR . 0.8 OUTLIER -162.96 85.66 0.53 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.556 1.16 . . . . 1.0 109.226 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 623' ' ' LYS . . . . . 0.462 ' CD ' ' O ' ' A' ' 608' ' ' SER . 0.0 OUTLIER -90.93 138.24 31.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 1.0 109.334 179.915 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 624' ' ' ILE . . . . . 0.963 HG22 ' H ' ' A' ' 626' ' ' GLY . 71.4 mt -103.94 143.38 15.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 1.0 109.334 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 625' ' ' ARG . . . . . 0.643 ' CB ' ' HG2' ' A' ' 607' ' ' GLN . 2.9 ptm180 -79.41 3.64 17.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.432 1.083 . . . . 1.0 110.254 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 626' ' ' GLY . . . . . 0.963 ' H ' HG22 ' A' ' 624' ' ' ILE . . . -88.12 -20.42 49.54 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.553 1.158 . . . . 1.0 111.008 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 116.14 41.14 0.78 Allowed Glycine 0 CA--C 1.529 0.935 0 N-CA-C 110.991 -0.844 . . . . 1.0 110.991 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 628' ' ' LYS . . . . . . . . . . . . . 1.2 mtmm -143.97 170.16 16.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 0.731 . . . . 1.0 109.263 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -143.61 135.11 26.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 1.0 110.339 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 630' ' ' PHE . . . . . 0.521 ' CD1' ' HD3' ' A' ' 567' ' ' LYS . 0.4 OUTLIER -125.07 166.91 15.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.15 . . . . 1.0 110.908 -179.954 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 631' ' ' ILE . . . . . 0.47 ' O ' HG22 ' A' ' 631' ' ' ILE . 0.2 OUTLIER -145.8 112.11 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.537 1.148 . . . . 1.0 109.294 179.872 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 632' ' ' LEU . . . . . 0.69 HD11 ' CD1' ' A' ' 622' ' ' LEU . 0.8 OUTLIER -83.28 152.77 24.99 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.095 . . . . 1.0 109.333 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 633' ' ' GLN . . . . . 0.472 ' HB2' ' SG ' ' A' ' 619' ' ' CYS . 3.0 tm0? -153.13 103.42 2.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 1.0 110.335 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 634' ' ' CYS . . . . . 0.588 ' HB2' HD23 ' A' ' 640' ' ' LEU . 8.7 t -116.51 164.06 15.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 1.0 108.221 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 635' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -88.1 -14.96 37.5 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.477 1.11 . . . . 1.0 109.299 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 636' ' ' SER . . . . . 0.472 ' CB ' ' HB2' ' A' ' 639' ' ' GLU . 0.4 OUTLIER -92.52 146.92 23.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 1.0 110.084 179.927 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 637' ' ' ASP . . . . . 0.622 ' N ' ' CD ' ' A' ' 638' ' ' PRO . 3.2 t0 -84.23 -45.12 0.75 Allowed Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.452 1.095 . . . . 1.0 109.255 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 638' ' ' PRO . . . . . 0.622 ' CD ' ' N ' ' A' ' 637' ' ' ASP . 18.6 Cg_endo -75.0 -52.76 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.517 1.799 . . . . 1.0 110.996 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 639' ' ' GLU . . . . . 0.55 ' C ' ' O ' ' A' ' 638' ' ' PRO . 23.2 mm-40 -25.54 -80.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.531 1.144 . . . . 1.0 110.249 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 640' ' ' LEU . . . . . 1.065 HD12 ' CD1' ' A' ' 620' ' ' LEU . 0.2 OUTLIER -50.47 -46.35 56.83 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.461 1.101 . . . . 1.0 109.285 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 641' ' ' VAL . . . . . 0.638 HG12 ' N ' ' A' ' 642' ' ' GLN . 0.9 OUTLIER -45.84 -59.17 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 1.0 109.304 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 642' ' ' GLN . . . . . 0.638 ' N ' HG12 ' A' ' 641' ' ' VAL . 0.1 OUTLIER -62.6 -39.98 95.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.433 1.083 . . . . 1.0 110.249 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 643' ' ' TRP . . . . . 0.835 ' C ' HD12 ' A' ' 647' ' ' LEU . 22.6 m95 -54.46 -46.88 73.41 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.982 -1.118 . . . . 1.0 107.982 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 644' ' ' LYS . . . . . 0.786 ' CD ' HG22 ' A' ' 609' ' ' VAL . 0.1 OUTLIER -57.4 -61.04 2.77 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.521 1.138 . . . . 1.0 109.363 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 645' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 644' ' ' LYS . 10.0 tmtt? -38.58 -57.89 1.11 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.58 1.175 . . . . 1.0 109.354 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 646' ' ' GLU . . . . . 0.711 ' CB ' HD23 ' A' ' 583' ' ' LEU . 0.7 OUTLIER -66.12 -35.49 80.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.561 1.163 . . . . 1.0 110.282 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 647' ' ' LEU . . . . . 0.835 HD12 ' C ' ' A' ' 643' ' ' TRP . 0.4 OUTLIER -66.03 -64.25 0.9 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 1.0 109.353 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 648' ' ' ARG . . . . . 0.552 ' N ' ' O ' ' A' ' 644' ' ' LYS . 0.2 OUTLIER -35.88 -57.87 0.66 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 1.0 110.311 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 649' ' ' ASP . . . . . 0.44 ' O ' ' N ' ' A' ' 653' ' ' GLU . 47.2 t0 -60.01 -43.23 95.37 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.555 1.16 . . . . 1.0 109.328 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 650' ' ' ALA . . . . . 0.785 ' HB1' ' SD ' ' A' ' 603' ' ' MET . . . -52.41 -51.2 60.32 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.536 1.148 . . . . 1.0 109.322 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 651' ' ' TYR . . . . . 1.313 ' CD2' HG21 ' A' ' 606' ' ' ILE . 21.3 m-30 -70.55 -28.63 65.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 1.0 110.976 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 652' ' ' ARG . . . . . 0.62 ' O ' ' HG2' ' A' ' 655' ' ' GLN . 4.4 mmm180 -75.99 -63.18 1.37 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.424 1.078 . . . . 1.0 110.352 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 653' ' ' GLU . . . . . 0.461 ' O ' ' HG ' ' A' ' 657' ' ' LEU . 3.6 tp10 -45.64 -30.65 1.6 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 1.0 110.302 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 654' ' ' ALA . . . . . 0.587 ' HB1' ' HB3' ' A' ' 604' ' ' GLU . . . -80.12 -53.78 6.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 1.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 655' ' ' GLN . . . . . 0.62 ' HG2' ' O ' ' A' ' 652' ' ' ARG . 6.3 pt20 -48.71 -42.17 34.13 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.468 1.105 . . . . 1.0 110.259 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 656' ' ' GLN . . . . . 0.466 ' N ' ' HG3' ' A' ' 655' ' ' GLN . 0.0 OUTLIER -59.09 -16.07 17.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 1.0 110.363 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 657' ' ' LEU . . . . . 0.487 ' CD1' ' HA ' ' A' ' 654' ' ' ALA . 7.7 mt -86.17 -30.83 22.16 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.396 1.06 . . . . 1.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 658' ' ' VAL . . . . . 0.476 HG13 ' O ' ' A' ' 658' ' ' VAL . 0.3 OUTLIER -109.72 13.73 8.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 1.0 109.277 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 659' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' A' ' 661' ' ' VAL . 0.0 OUTLIER -61.56 -59.27 5.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.392 1.057 . . . . 1.0 110.306 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 660' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -68.29 65.81 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 1.0 110.263 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 661' ' ' VAL . . . . . 0.474 ' CG2' ' HD2' ' A' ' 662' ' ' PRO . 13.0 p -119.09 140.62 29.05 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 1.0 109.324 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 662' ' ' PRO . . . . . 0.474 ' HD2' ' CG2' ' A' ' 661' ' ' VAL . 18.7 Cg_endo -74.9 176.25 10.13 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.452 1.764 . . . . 1.0 111.08 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 6.8 ttpt -66.76 -77.75 0.07 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.564 1.165 . . . . 1.0 109.296 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 664' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -122.61 -25.64 4.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 1.0 111.034 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 665' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 666' ' ' ASN . 8.0 ttmm 177.21 127.68 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 1.0 109.258 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 666' ' ' ASN . . . . . 0.407 ' C ' ' O ' ' A' ' 665' ' ' LYS . 2.6 t30 39.71 56.12 2.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 1.0 109.337 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 5.4 ttmt -153.2 68.34 6.54 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 1.0 109.311 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 668' ' ' PRO . . . . . 0.437 ' HA ' ' HA ' ' A' ' 662' ' ' PRO . 18.1 Cg_endo -74.99 55.27 3.89 Favored 'Trans proline' 0 C--N 1.361 1.228 0 O-C-N 124.53 1.805 . . . . 1.0 110.979 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 6.1 ttp180 65.14 128.04 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 1.0 110.324 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 83.4 p . . . . . 0 C--O 1.249 1.068 0 CA-C-O 117.004 -1.474 . . . . 1.0 109.949 -179.975 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 111.023 -0.831 . . . . 1.0 111.023 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 553' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 178.07 78.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 0.746 . . . . 1.0 109.949 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 554' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -164.13 84.37 0.44 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 1.0 109.66 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 555' ' ' MET . . . . . . . . . . . . . 4.7 ptt? -156.55 145.77 20.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.618 1.199 . . . . 1.0 110.962 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . -97.78 -177.59 33.73 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.601 1.188 . . . . 1.0 111.015 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 557' ' ' LYS . . . . . 0.414 ' C ' ' HG2' ' A' ' 585' ' ' PRO . 0.0 OUTLIER -113.59 -20.14 11.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.446 0.733 . . . . 1.0 109.343 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 558' ' ' ASP . . . . . 0.674 ' O ' ' CZ ' ' A' ' 584' ' ' PHE . 23.2 p-10 -139.69 17.64 2.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 1.0 109.304 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 559' ' ' CYS . . . . . 0.591 ' CA ' ' HD3' ' A' ' 585' ' ' PRO . 4.7 t -170.44 124.31 0.7 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.625 1.203 . . . . 1.0 108.318 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 560' ' ' ILE . . . . . 0.625 HD11 ' HA ' ' A' ' 585' ' ' PRO . 39.2 mt -97.49 -64.62 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.148 . . . . 1.0 109.322 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 561' ' ' MET . . . . . 0.498 ' HB2' ' HG2' ' A' ' 646' ' ' GLU . 0.0 OUTLIER -152.94 138.88 18.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.584 1.178 . . . . 1.0 110.983 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 562' ' ' HIS . . . . . . . . . . . . . 4.6 p80 -128.32 153.64 46.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 1.0 109.572 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 563' ' ' GLY . . . . . . . . . . . . . . . 171.39 -176.5 44.63 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.452 1.095 . . . . 1.0 111.057 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 564' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -103.68 121.72 43.55 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.511 0.771 . . . . 1.0 111.004 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 565' ' ' MET . . . . . 0.618 ' SD ' ' CE2' ' A' ' 643' ' ' TRP . 2.6 ptm -150.95 152.68 33.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 1.0 111.04 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 566' ' ' SER . . . . . 0.476 ' OG ' ' O ' ' A' ' 633' ' ' GLN . 0.3 OUTLIER -102.52 136.69 41.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 1.0 109.972 -179.933 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 567' ' ' LYS . . . . . 0.643 ' HE2' ' CE1' ' A' ' 630' ' ' PHE . 0.1 OUTLIER -160.13 148.45 16.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.423 1.077 . . . . 1.0 109.357 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 568' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -162.72 167.43 23.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 1.0 110.949 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 569' ' ' GLY . . . . . 0.417 ' C ' ' CG ' ' A' ' 570' ' ' ASN . . . -165.33 119.07 0.84 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.541 1.151 . . . . 1.0 110.976 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 570' ' ' ASN . . . . . 0.581 ' CB ' ' CD ' ' A' ' 571' ' ' PRO . 0.0 OUTLIER -166.3 -178.06 0.66 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.464 0.744 . . . . 1.0 109.253 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 571' ' ' PRO . . . . . 0.581 ' CD ' ' CB ' ' A' ' 570' ' ' ASN . 18.3 Cg_endo -74.94 2.6 6.42 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.447 1.762 . . . . 1.0 110.997 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 572' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -136.57 87.15 2.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 1.0 111.021 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 1.3 tp -82.17 75.13 9.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.099 . . . . 1.0 109.277 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 574' ' ' THR . . . . . 0.638 HG23 ' O ' ' A' ' 574' ' ' THR . 0.6 OUTLIER -154.05 20.67 0.51 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.565 1.166 . . . . 1.0 110.34 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -134.0 95.15 3.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 1.0 110.188 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 576' ' ' TRP . . . . . . . . . . . . . 2.5 m0 -94.59 132.55 39.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 1.0 108.035 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 577' ' ' GLN . . . . . 0.42 ' O ' ' HB2' ' A' ' 566' ' ' SER . 0.2 OUTLIER -143.26 130.27 20.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 1.0 110.338 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 578' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -82.65 119.25 24.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.405 1.065 . . . . 1.0 110.306 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 579' ' ' ARG . . . . . 0.493 ' O ' ' O ' ' A' ' 565' ' ' MET . 10.3 mtm180 -131.73 161.65 32.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 1.0 110.344 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 580' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -89.58 123.63 33.82 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.533 1.146 . . . . 1.0 111.082 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 581' ' ' PHE . . . . . 0.614 ' CD2' HD11 ' A' ' 588' ' ' LEU . 2.6 m-85 -117.5 159.94 22.03 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.547 1.154 . . . . 1.0 111.044 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 582' ' ' TYR . . . . . 0.413 ' N ' ' O ' ' A' ' 589' ' ' GLU . 82.4 m-85 -139.15 122.64 17.27 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.507 1.129 . . . . 1.0 111.068 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 583' ' ' LEU . . . . . 0.855 HD23 ' HB3' ' A' ' 646' ' ' GLU . 6.1 tp -90.01 102.97 15.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 1.0 109.35 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 584' ' ' PHE . . . . . 0.674 ' CZ ' ' O ' ' A' ' 558' ' ' ASP . 0.2 OUTLIER -103.81 147.43 34.25 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.45 1.094 . . . . 1.0 110.981 -179.94 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 585' ' ' PRO . . . . . 0.625 ' HA ' HD11 ' A' ' 560' ' ' ILE . 18.2 Cg_endo -75.07 64.48 6.11 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.459 1.768 . . . . 1.0 110.931 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 586' ' ' ASN . . . . . 0.739 ' O ' HG22 ' A' ' 602' ' ' THR . 7.9 m-20 151.2 -31.04 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.445 1.091 . . . . 1.0 109.341 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 587' ' ' ARG . . . . . 0.543 ' HA ' ' HA ' ' A' ' 602' ' ' THR . 0.0 OUTLIER -142.6 -175.03 4.31 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.134 . . . . 1.0 110.411 179.937 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 588' ' ' LEU . . . . . 0.614 HD11 ' CD2' ' A' ' 581' ' ' PHE . 0.1 OUTLIER -158.9 123.92 4.2 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.46 1.1 . . . . 1.0 109.351 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 589' ' ' GLU . . . . . 0.423 ' N ' HD12 ' A' ' 588' ' ' LEU . 2.3 mt-10 -98.56 135.02 40.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.427 1.079 . . . . 1.0 110.308 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 590' ' ' TRP . . . . . 0.549 ' CD1' ' O ' ' A' ' 599' ' ' SER . 0.0 OUTLIER -140.36 99.15 3.58 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 107.941 -1.133 . . . . 1.0 107.941 -179.912 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 591' ' ' ARG . . . . . 0.414 ' HD3' ' HA ' ' A' ' 597' ' ' PRO . 0.0 OUTLIER -115.46 177.08 4.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 1.0 110.295 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . 144.93 -157.57 27.35 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.468 1.105 . . . . 1.0 110.991 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -79.45 161.27 26.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.451 0.736 . . . . 1.0 110.31 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . 59.91 145.34 0.01 OUTLIER Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.564 1.165 . . . . 1.0 110.967 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 595' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 75.63 174.76 0.23 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 0.785 . . . . 1.0 110.307 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . -82.24 158.39 66.8 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.394 1.059 . . . . 1.0 109.343 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 597' ' ' PRO . . . . . 0.414 ' HA ' ' HD3' ' A' ' 591' ' ' ARG . 18.2 Cg_endo -75.0 -14.23 21.19 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.459 1.768 . . . . 1.0 111.04 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 598' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.67 87.86 7.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.403 1.064 . . . . 1.0 110.308 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 599' ' ' SER . . . . . 0.549 ' O ' ' CD1' ' A' ' 590' ' ' TRP . 9.5 m -143.52 78.98 1.62 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.407 1.067 . . . . 1.0 110.001 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 1.9 pp -141.15 119.95 12.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 1.0 109.326 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -113.47 -170.85 1.77 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.104 . . . . 1.0 109.255 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 602' ' ' THR . . . . . 0.739 HG22 ' O ' ' A' ' 586' ' ' ASN . 0.2 OUTLIER -104.86 -157.58 0.62 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 1.0 110.348 -179.932 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 603' ' ' MET . . . . . 0.528 ' SD ' ' HA ' ' A' ' 586' ' ' ASN . 0.7 OUTLIER -126.52 20.59 7.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.14 . . . . 1.0 110.932 -179.946 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 604' ' ' GLU . . . . . 0.478 ' HB3' ' HB1' ' A' ' 654' ' ' ALA . 9.2 pt-20 -121.58 66.13 0.89 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 1.0 110.323 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 605' ' ' GLU . . . . . 0.409 ' HB2' HG23 ' A' ' 624' ' ' ILE . 3.2 pt-20 -158.6 -49.59 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 1.0 110.293 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 606' ' ' ILE . . . . . 1.239 HG21 ' CD2' ' A' ' 651' ' ' TYR . 1.1 mp -46.15 134.9 2.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.556 1.16 . . . . 1.0 109.273 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 607' ' ' GLN . . . . . 0.518 ' HG3' ' HA ' ' A' ' 625' ' ' ARG . 0.0 OUTLIER -88.3 -37.63 15.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 1.0 110.369 179.898 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 608' ' ' SER . . . . . 0.515 ' O ' ' CD ' ' A' ' 623' ' ' LYS . 0.8 OUTLIER -176.23 135.1 0.26 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 1.0 109.994 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 609' ' ' VAL . . . . . 0.946 HG22 ' CD ' ' A' ' 644' ' ' LYS . 4.1 p -107.38 142.44 20.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 1.0 109.255 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 610' ' ' GLU . . . . . 0.92 ' CD ' HD23 ' A' ' 621' ' ' LEU . 0.1 OUTLIER -163.92 173.7 12.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.579 1.174 . . . . 1.0 110.313 179.925 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 611' ' ' GLU . . . . . 0.604 ' HA ' ' HA ' ' A' ' 620' ' ' LEU . 20.4 tt0 -119.9 145.13 46.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 1.0 110.298 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 612' ' ' THR . . . . . 0.509 HG23 ' HB3' ' A' ' 618' ' ' LYS . 3.2 t -110.77 139.84 45.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.383 1.052 . . . . 1.0 110.452 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -111.58 158.27 19.41 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 1.0 110.298 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 614' ' ' ILE . . . . . 0.735 ' O ' ' CG2' ' A' ' 614' ' ' ILE . 0.0 OUTLIER -146.55 87.93 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 1.0 109.212 179.932 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 615' ' ' LYS . . . . . 0.444 ' CB ' ' O ' ' A' ' 614' ' ' ILE . 2.8 mttp 84.3 -36.97 0.06 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.155 . . . . 1.0 109.274 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 616' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -155.68 -50.24 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 1.0 110.307 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 617' ' ' ARG . . . . . 0.637 ' CZ ' ' OD1' ' A' ' 637' ' ' ASP . 10.4 ttt180 -161.73 133.37 5.48 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.548 1.155 . . . . 1.0 110.343 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 618' ' ' LYS . . . . . 0.534 ' CG ' HD13 ' A' ' 614' ' ' ILE . 0.6 OUTLIER -112.94 -101.95 0.41 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 1.0 109.236 -179.903 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 619' ' ' CYS . . . . . 0.667 ' SG ' ' CG ' ' A' ' 633' ' ' GLN . 0.0 OUTLIER -145.38 -161.31 1.28 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 1.0 108.21 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 620' ' ' LEU . . . . . 1.158 ' CD1' HD12 ' A' ' 640' ' ' LEU . 0.0 OUTLIER -114.51 156.96 23.64 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.499 1.124 . . . . 1.0 109.358 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 621' ' ' LEU . . . . . 0.92 HD23 ' CD ' ' A' ' 610' ' ' GLU . 0.4 OUTLIER -117.34 154.74 30.76 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.523 1.139 . . . . 1.0 109.3 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 622' ' ' LEU . . . . . 0.685 ' H ' HD12 ' A' ' 621' ' ' LEU . 5.9 mt -149.23 87.67 1.54 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 1.0 109.286 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 623' ' ' LYS . . . . . 0.515 ' CD ' ' O ' ' A' ' 608' ' ' SER . 0.0 OUTLIER -86.66 135.66 33.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.428 1.08 . . . . 1.0 109.244 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 624' ' ' ILE . . . . . 0.943 HG22 ' H ' ' A' ' 626' ' ' GLY . 71.8 mt -107.2 143.0 18.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.145 . . . . 1.0 109.234 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 625' ' ' ARG . . . . . 0.518 ' HA ' ' HG3' ' A' ' 607' ' ' GLN . 0.0 OUTLIER -77.9 2.71 16.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 1.0 110.291 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 626' ' ' GLY . . . . . 0.943 ' H ' HG22 ' A' ' 624' ' ' ILE . . . -85.39 -28.04 31.32 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.518 1.136 . . . . 1.0 110.997 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 129.68 -5.23 6.19 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.942 -0.863 . . . . 1.0 110.942 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 628' ' ' LYS . . . . . . . . . . . . . 8.4 mtmt -106.42 168.06 9.42 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.416 0.715 . . . . 1.0 109.228 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 21.3 mp0 -135.55 173.38 11.78 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.42 1.075 . . . . 1.0 110.306 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 630' ' ' PHE . . . . . 0.643 ' CE1' ' HE2' ' A' ' 567' ' ' LYS . 0.3 OUTLIER -152.61 160.59 43.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 1.0 111.036 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 631' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -140.91 114.33 5.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 1.0 109.294 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 632' ' ' LEU . . . . . 0.813 HD13 HD11 ' A' ' 640' ' ' LEU . 0.5 OUTLIER -84.4 149.2 26.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 1.0 109.246 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 633' ' ' GLN . . . . . 0.667 ' CG ' ' SG ' ' A' ' 619' ' ' CYS . 0.5 OUTLIER -154.72 104.77 2.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 1.0 110.346 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 634' ' ' CYS . . . . . 0.418 ' SG ' ' OE1' ' A' ' 639' ' ' GLU . 12.2 t -122.89 148.35 45.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 1.0 108.258 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 635' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.17 -6.21 37.73 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.544 1.153 . . . . 1.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 636' ' ' SER . . . . . 0.494 ' CB ' ' HB2' ' A' ' 639' ' ' GLU . 1.6 m -102.54 143.36 32.34 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.45 1.094 . . . . 1.0 109.978 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 637' ' ' ASP . . . . . 0.648 ' N ' ' CD ' ' A' ' 638' ' ' PRO . 0.4 OUTLIER -81.45 -43.7 1.12 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.567 1.167 . . . . 1.0 109.246 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 638' ' ' PRO . . . . . 0.648 ' CD ' ' N ' ' A' ' 637' ' ' ASP . 18.6 Cg_endo -75.0 -52.45 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.563 1.823 . . . . 1.0 111.007 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 639' ' ' GLU . . . . . 0.561 ' C ' ' O ' ' A' ' 638' ' ' PRO . 2.6 tt0 -25.21 -76.12 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.437 1.086 . . . . 1.0 110.345 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 640' ' ' LEU . . . . . 1.158 HD12 ' CD1' ' A' ' 620' ' ' LEU . 0.2 OUTLIER -53.56 -51.91 61.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 1.0 109.292 179.949 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 641' ' ' VAL . . . . . 0.637 HG12 ' N ' ' A' ' 642' ' ' GLN . 0.8 OUTLIER -41.3 -58.93 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.518 1.136 . . . . 1.0 109.351 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 642' ' ' GLN . . . . . 0.637 ' N ' HG12 ' A' ' 641' ' ' VAL . 0.0 OUTLIER -64.68 -42.16 95.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 1.0 110.231 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 643' ' ' TRP . . . . . 0.825 ' O ' HD12 ' A' ' 647' ' ' LEU . 11.2 m95 -52.25 -42.51 63.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 1.0 107.993 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 644' ' ' LYS . . . . . 0.946 ' CD ' HG22 ' A' ' 609' ' ' VAL . 0.0 OUTLIER -58.18 -59.35 5.44 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.465 1.103 . . . . 1.0 109.322 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 645' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 644' ' ' LYS . 7.9 tmtm? -39.18 -55.12 1.7 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.42 1.075 . . . . 1.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 646' ' ' GLU . . . . . 0.855 ' HB3' HD23 ' A' ' 583' ' ' LEU . 1.0 OUTLIER -64.98 -37.42 87.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 1.0 110.368 179.914 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 647' ' ' LEU . . . . . 0.825 HD12 ' O ' ' A' ' 643' ' ' TRP . 0.6 OUTLIER -64.69 -62.72 1.4 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.564 1.165 . . . . 1.0 109.347 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 648' ' ' ARG . . . . . 0.485 ' HG3' ' CG1' ' A' ' 609' ' ' VAL . 6.3 ttp180 -36.97 -50.84 0.9 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.363 1.039 . . . . 1.0 110.321 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 649' ' ' ASP . . . . . 0.435 ' O ' ' C ' ' A' ' 650' ' ' ALA . 43.3 t0 -64.23 -58.49 6.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 1.0 109.309 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 650' ' ' ALA . . . . . 0.513 ' O ' ' HB2' ' A' ' 603' ' ' MET . . . -37.42 -50.81 1.09 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.586 1.179 . . . . 1.0 109.349 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 651' ' ' TYR . . . . . 1.239 ' CD2' HG21 ' A' ' 606' ' ' ILE . 10.9 m-30 -69.95 -47.86 60.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 1.0 111.05 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 652' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' A' ' 655' ' ' GLN . 23.3 mtp180 -57.02 -62.52 1.69 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 1.0 110.297 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 653' ' ' GLU . . . . . 0.676 ' O ' HD13 ' A' ' 657' ' ' LEU . 0.3 OUTLIER -39.57 -54.54 1.98 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 1.0 110.307 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 654' ' ' ALA . . . . . 0.478 ' HB1' ' HB3' ' A' ' 604' ' ' GLU . . . -47.97 -45.27 31.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 1.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 655' ' ' GLN . . . . . 0.663 ' HA ' HG12 ' A' ' 658' ' ' VAL . 55.7 mt-30 -61.1 -67.87 0.36 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 1.0 110.248 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 656' ' ' GLN . . . . . 0.6 ' HG3' HD13 ' A' ' 657' ' ' LEU . 4.9 pt20 -50.77 -21.8 1.82 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 1.0 110.338 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 657' ' ' LEU . . . . . 0.676 HD13 ' O ' ' A' ' 653' ' ' GLU . 6.8 mp -86.43 -28.94 23.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.158 . . . . 1.0 109.312 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 658' ' ' VAL . . . . . 0.663 HG12 ' HA ' ' A' ' 655' ' ' GLN . 4.7 p -105.76 14.26 7.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 1.0 109.372 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 659' ' ' GLN . . . . . 0.453 ' O ' ' N ' ' A' ' 661' ' ' VAL . 0.6 OUTLIER -62.85 -58.5 7.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 1.0 110.24 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 660' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.84 66.19 0.09 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 1.0 110.335 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 661' ' ' VAL . . . . . 0.472 ' CG2' ' HD2' ' A' ' 662' ' ' PRO . 14.8 p -116.99 140.67 27.28 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 1.0 109.319 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 662' ' ' PRO . . . . . 0.472 ' HD2' ' CG2' ' A' ' 661' ' ' VAL . 18.1 Cg_endo -75.05 -171.52 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.543 1.812 . . . . 1.0 110.989 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -65.39 174.77 1.99 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.145 . . . . 1.0 109.299 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 664' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -80.88 59.19 3.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 1.0 111.057 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 665' ' ' LYS . . . . . 0.45 ' O ' ' CB ' ' A' ' 666' ' ' ASN . 0.1 OUTLIER -178.4 37.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 1.0 109.324 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 666' ' ' ASN . . . . . 0.45 ' CB ' ' O ' ' A' ' 665' ' ' LYS . 1.0 OUTLIER 79.51 -46.29 0.35 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 1.0 109.302 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 5.2 mttt -157.64 168.34 12.67 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 1.0 109.354 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 668' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -45.82 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.426 1.751 . . . . 1.0 111.015 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.75 -56.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.403 1.064 . . . . 1.0 110.317 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 10.7 t . . . . . 0 C--O 1.249 1.078 0 CA-C-O 117.048 -1.453 . . . . 1.0 110.116 -179.909 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.952 0 N-CA-C 111.025 -0.83 . . . . 1.0 111.025 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 553' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -176.99 105.57 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 0.74 . . . . 1.0 110.043 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 554' ' ' HIS . . . . . . . . . . . . . 4.4 t-160 -153.67 74.78 1.01 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.558 1.161 . . . . 1.0 109.598 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 555' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -158.69 -174.27 4.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 1.0 110.98 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . -50.83 173.91 0.1 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.474 1.109 . . . . 1.0 111.001 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 14.9 tttt -151.02 60.33 0.92 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.442 0.73 . . . . 1.0 109.312 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 558' ' ' ASP . . . . . 0.485 ' O ' ' HG3' ' A' ' 585' ' ' PRO . 0.4 OUTLIER -155.69 111.57 3.07 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.433 1.083 . . . . 1.0 109.34 179.934 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 559' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -67.99 142.57 55.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 1.0 108.224 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 560' ' ' ILE . . . . . 0.93 HD11 ' HA ' ' A' ' 585' ' ' PRO . 49.4 mt -75.49 -59.79 2.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 1.0 109.337 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 561' ' ' MET . . . . . 0.53 ' CE ' ' HB3' ' A' ' 642' ' ' GLN . 0.0 OUTLIER -137.02 142.52 42.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.1 . . . . 1.0 111.039 179.902 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 562' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -141.45 148.37 39.4 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.554 1.159 . . . . 1.0 109.601 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 563' ' ' GLY . . . . . . . . . . . . . . . 171.11 -171.36 43.88 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.485 1.115 . . . . 1.0 111.058 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 564' ' ' TYR . . . . . 0.411 ' HE1' ' CA ' ' A' ' 579' ' ' ARG . 0.8 OUTLIER -107.12 120.54 42.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 0.729 . . . . 1.0 110.899 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 565' ' ' MET . . . . . 0.597 ' O ' ' O ' ' A' ' 579' ' ' ARG . 1.8 ptt? -151.87 150.68 30.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 1.0 111.048 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 566' ' ' SER . . . . . 0.446 ' OG ' ' O ' ' A' ' 633' ' ' GLN . 0.2 OUTLIER -96.67 149.01 22.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 1.0 110.022 -179.931 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 567' ' ' LYS . . . . . 0.657 ' HE2' ' CD1' ' A' ' 630' ' ' PHE . 12.1 tttt -160.69 145.23 14.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 1.0 109.215 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 568' ' ' MET . . . . . 0.509 ' N ' ' HG2' ' A' ' 567' ' ' LYS . 51.1 tpp -172.55 160.21 4.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.396 1.06 . . . . 1.0 111.067 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 569' ' ' GLY . . . . . 0.552 ' O ' ' ND2' ' A' ' 570' ' ' ASN . . . -167.5 120.73 0.92 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.55 1.156 . . . . 1.0 111.014 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 570' ' ' ASN . . . . . 0.56 ' CB ' ' CD ' ' A' ' 571' ' ' PRO . 0.0 OUTLIER -165.31 -178.7 0.78 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.501 0.765 . . . . 1.0 109.238 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 571' ' ' PRO . . . . . 0.56 ' CD ' ' CB ' ' A' ' 570' ' ' ASN . 18.3 Cg_endo -75.04 17.5 0.59 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.357 1.714 . . . . 1.0 110.974 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 572' ' ' PHE . . . . . 0.502 ' CE2' ' HG2' ' A' ' 571' ' ' PRO . 7.2 m-85 -141.88 86.43 1.99 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 1.0 110.98 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -86.16 87.03 7.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 1.0 109.345 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 574' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -159.81 -25.71 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 1.0 110.369 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 575' ' ' GLN . . . . . 0.603 ' O ' ' CD1' ' A' ' 576' ' ' TRP . 19.0 pt20 -94.2 147.7 22.91 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.504 1.127 . . . . 1.0 110.339 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 576' ' ' TRP . . . . . 0.603 ' CD1' ' O ' ' A' ' 575' ' ' GLN . 3.9 m0 -146.5 130.38 17.18 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.022 -1.103 . . . . 1.0 108.022 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 577' ' ' GLN . . . . . 0.441 ' O ' ' HB2' ' A' ' 566' ' ' SER . 0.0 OUTLIER -135.0 128.25 32.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 1.0 110.296 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 578' ' ' ARG . . . . . 0.419 ' HA ' ' HB2' ' A' ' 566' ' ' SER . 0.0 OUTLIER -83.96 123.14 29.66 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.494 1.121 . . . . 1.0 110.353 179.942 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 579' ' ' ARG . . . . . 0.597 ' O ' ' O ' ' A' ' 565' ' ' MET . 2.4 mmt85 -136.32 166.52 23.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 1.0 110.278 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 580' ' ' TYR . . . . . 0.407 ' O ' ' HA ' ' A' ' 590' ' ' TRP . 0.5 OUTLIER -89.33 136.29 33.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 1.0 110.965 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 581' ' ' PHE . . . . . 0.585 ' CG ' ' HB3' ' A' ' 590' ' ' TRP . 0.6 OUTLIER -120.44 166.77 13.12 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.442 1.089 . . . . 1.0 111.008 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 582' ' ' TYR . . . . . 0.436 ' O ' ' HA ' ' A' ' 588' ' ' LEU . 0.4 OUTLIER -146.7 114.2 6.35 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.513 1.133 . . . . 1.0 111.051 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 583' ' ' LEU . . . . . 0.827 HD21 ' HG ' ' A' ' 647' ' ' LEU . 5.7 tp -90.28 109.05 20.16 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.591 1.182 . . . . 1.0 109.343 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 584' ' ' PHE . . . . . 0.475 ' C ' ' H ' ' A' ' 586' ' ' ASN . 0.5 OUTLIER -98.16 162.83 20.76 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.524 1.14 . . . . 1.0 110.956 -179.922 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 585' ' ' PRO . . . . . 0.93 ' HA ' HD11 ' A' ' 560' ' ' ILE . 18.4 Cg_endo -74.96 37.2 0.46 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.473 1.775 . . . . 1.0 111.064 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 586' ' ' ASN . . . . . 0.746 ' O ' ' HG3' ' A' ' 603' ' ' MET . 12.9 m-20 167.16 -48.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.424 1.077 . . . . 1.0 109.335 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 587' ' ' ARG . . . . . 0.607 ' HA ' ' HA ' ' A' ' 602' ' ' THR . 0.0 OUTLIER -98.88 -168.28 1.61 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.562 1.164 . . . . 1.0 110.309 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 588' ' ' LEU . . . . . 0.767 ' C ' HD12 ' A' ' 588' ' ' LEU . 0.0 OUTLIER 174.53 119.51 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.604 1.19 . . . . 1.0 109.325 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 589' ' ' GLU . . . . . 0.529 ' N ' HD12 ' A' ' 588' ' ' LEU . 1.1 pt-20 -131.79 173.07 11.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 1.0 110.297 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 590' ' ' TRP . . . . . 0.585 ' HB3' ' CG ' ' A' ' 581' ' ' PHE . 2.7 p-90 -151.11 132.0 14.18 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.542 1.151 . . . . 1.0 107.999 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.48 -178.05 5.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.573 1.17 . . . . 1.0 110.341 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . 138.7 -140.05 10.72 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.535 1.147 . . . . 1.0 111.014 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -82.06 164.87 21.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 0.796 . . . . 1.0 110.272 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 594' ' ' GLY . . . . . 0.4 ' O ' ' CB ' ' A' ' 595' ' ' GLU . . . 76.94 -54.36 3.44 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.408 1.068 . . . . 1.0 110.931 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 595' ' ' GLU . . . . . 0.4 ' CB ' ' O ' ' A' ' 594' ' ' GLY . 0.6 OUTLIER 79.22 177.93 0.12 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.463 0.743 . . . . 1.0 110.332 -179.94 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . -160.11 157.89 25.62 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 1.0 109.294 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 597' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.12 -23.07 13.96 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.484 1.781 . . . . 1.0 110.922 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 598' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -154.7 119.44 4.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.366 1.041 . . . . 1.0 110.33 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 599' ' ' SER . . . . . 0.463 ' HB2' ' CD1' ' A' ' 590' ' ' TRP . 81.6 p -149.27 44.55 0.96 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.448 1.093 . . . . 1.0 109.94 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 600' ' ' LEU . . . . . 0.723 HD13 ' C ' ' A' ' 600' ' ' LEU . 2.0 tm? -139.57 102.39 4.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 1.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -127.7 168.77 14.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.152 . . . . 1.0 109.216 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 602' ' ' THR . . . . . 0.607 ' HA ' ' HA ' ' A' ' 587' ' ' ARG . 0.2 OUTLIER -109.01 -146.52 0.4 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 1.0 110.37 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 603' ' ' MET . . . . . 0.883 ' SD ' ' HB2' ' A' ' 654' ' ' ALA . 0.0 OUTLIER -136.75 26.79 3.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 1.0 110.977 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -125.06 56.76 1.32 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 1.0 110.326 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 605' ' ' GLU . . . . . 0.639 ' HB2' HG23 ' A' ' 624' ' ' ILE . 2.8 pt-20 -158.26 -58.58 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 1.0 110.226 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 606' ' ' ILE . . . . . 1.206 HG21 ' CD2' ' A' ' 651' ' ' TYR . 1.3 mp -33.43 133.71 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 1.0 109.277 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 607' ' ' GLN . . . . . 0.468 ' CG ' ' CB ' ' A' ' 625' ' ' ARG . 0.0 OUTLIER -88.85 -37.07 15.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.57 1.168 . . . . 1.0 110.199 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -174.52 137.41 0.49 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 1.0 109.969 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 609' ' ' VAL . . . . . 0.942 HG22 ' CD ' ' A' ' 644' ' ' LYS . 3.6 p -106.36 141.79 20.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.595 1.184 . . . . 1.0 109.343 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 610' ' ' GLU . . . . . 0.788 ' HG3' HD23 ' A' ' 621' ' ' LEU . 0.4 OUTLIER -159.1 -165.85 1.7 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 1.0 110.273 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 611' ' ' GLU . . . . . 0.534 ' HA ' ' HA ' ' A' ' 620' ' ' LEU . 21.4 tt0 -146.23 144.65 30.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 1.0 110.254 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 612' ' ' THR . . . . . 0.808 HG23 ' HG3' ' A' ' 618' ' ' LYS . 0.0 OUTLIER -106.58 164.81 11.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 1.0 110.404 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -129.53 161.68 29.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.408 1.068 . . . . 1.0 110.274 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 614' ' ' ILE . . . . . 0.764 HG22 ' O ' ' A' ' 614' ' ' ILE . 0.0 OUTLIER -146.42 83.28 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.579 1.174 . . . . 1.0 109.299 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 615' ' ' LYS . . . . . 0.451 ' HB3' ' O ' ' A' ' 614' ' ' ILE . 1.7 ttpm? 81.28 -31.97 0.11 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.503 1.127 . . . . 1.0 109.305 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 616' ' ' GLU . . . . . 0.448 ' H ' ' C ' ' A' ' 614' ' ' ILE . 2.2 tt0 -156.56 -48.55 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.422 1.076 . . . . 1.0 110.309 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 617' ' ' ARG . . . . . 0.588 ' CZ ' ' OD1' ' A' ' 637' ' ' ASP . 1.9 ttt180 -157.74 137.81 12.5 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.437 1.086 . . . . 1.0 110.307 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 618' ' ' LYS . . . . . 0.808 ' HG3' HG23 ' A' ' 612' ' ' THR . 8.6 tptt -115.67 -96.5 0.46 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.59 1.181 . . . . 1.0 109.237 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 619' ' ' CYS . . . . . 0.499 ' O ' ' CG ' ' A' ' 611' ' ' GLU . 1.7 m -158.2 -174.87 5.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.559 1.162 . . . . 1.0 108.264 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 620' ' ' LEU . . . . . 1.048 HD13 ' CD1' ' A' ' 640' ' ' LEU . 0.2 OUTLIER -95.91 153.37 17.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.396 1.06 . . . . 1.0 109.298 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 621' ' ' LEU . . . . . 0.788 HD23 ' HG3' ' A' ' 610' ' ' GLU . 1.1 tp -112.36 157.54 20.88 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.543 1.152 . . . . 1.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 622' ' ' LEU . . . . . 0.917 ' CD1' HD11 ' A' ' 632' ' ' LEU . 9.0 mt -154.87 86.66 1.12 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 1.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 623' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.43 135.21 33.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.552 1.157 . . . . 1.0 109.328 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 624' ' ' ILE . . . . . 0.986 HG22 ' H ' ' A' ' 626' ' ' GLY . 36.3 mt -104.42 142.21 18.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.445 1.091 . . . . 1.0 109.262 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 625' ' ' ARG . . . . . 0.468 ' CB ' ' CG ' ' A' ' 607' ' ' GLN . 0.4 OUTLIER -78.8 3.55 16.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 1.0 110.349 179.892 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 626' ' ' GLY . . . . . 0.986 ' H ' HG22 ' A' ' 624' ' ' ILE . . . -88.03 -25.25 32.24 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.501 1.126 . . . . 1.0 111.018 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 121.26 40.66 0.54 Allowed Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.987 -0.845 . . . . 1.0 110.987 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 628' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.53 172.5 13.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 0.789 . . . . 1.0 109.268 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 5.2 mp0 -144.73 152.69 40.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 1.0 110.311 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 630' ' ' PHE . . . . . 0.657 ' CD1' ' HE2' ' A' ' 567' ' ' LYS . 0.8 OUTLIER -136.37 159.75 40.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 1.0 110.961 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 631' ' ' ILE . . . . . 0.534 ' O ' HG22 ' A' ' 631' ' ' ILE . 0.2 OUTLIER -144.68 108.29 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.613 1.195 . . . . 1.0 109.295 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 632' ' ' LEU . . . . . 0.917 HD11 ' CD1' ' A' ' 622' ' ' LEU . 0.6 OUTLIER -84.07 151.76 24.76 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.389 1.055 . . . . 1.0 109.296 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 633' ' ' GLN . . . . . 0.497 ' HB2' ' SG ' ' A' ' 619' ' ' CYS . 6.3 tt0 -148.86 100.62 3.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.098 . . . . 1.0 110.339 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 634' ' ' CYS . . . . . . . . . . . . . 5.5 t -115.39 159.86 20.58 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.545 1.153 . . . . 1.0 108.317 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 635' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -82.94 -16.35 47.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 1.0 109.362 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 636' ' ' SER . . . . . 0.602 ' HB2' ' HB2' ' A' ' 639' ' ' GLU . 13.4 m -92.95 150.81 20.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 1.0 110.011 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 637' ' ' ASP . . . . . 0.677 ' N ' ' CD ' ' A' ' 638' ' ' PRO . 0.4 OUTLIER -90.13 -41.96 0.41 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 1.0 109.275 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 638' ' ' PRO . . . . . 0.677 ' CD ' ' N ' ' A' ' 637' ' ' ASP . 18.5 Cg_endo -75.02 -54.91 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.541 1.811 . . . . 1.0 110.99 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 639' ' ' GLU . . . . . 0.602 ' HB2' ' HB2' ' A' ' 636' ' ' SER . 74.0 mm-40 -24.8 -79.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 1.0 110.297 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 640' ' ' LEU . . . . . 1.048 ' CD1' HD13 ' A' ' 620' ' ' LEU . 0.1 OUTLIER -50.15 -47.82 54.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.405 1.066 . . . . 1.0 109.278 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 641' ' ' VAL . . . . . 0.617 HG12 ' N ' ' A' ' 642' ' ' GLN . 0.8 OUTLIER -44.94 -57.88 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 1.0 109.337 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 642' ' ' GLN . . . . . 0.617 ' N ' HG12 ' A' ' 641' ' ' VAL . 0.8 OUTLIER -63.07 -38.94 93.17 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.53 1.144 . . . . 1.0 110.324 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 643' ' ' TRP . . . . . 0.891 ' C ' HD12 ' A' ' 647' ' ' LEU . 14.8 m95 -55.23 -47.16 75.78 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 107.948 -1.131 . . . . 1.0 107.948 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 644' ' ' LYS . . . . . 0.942 ' CD ' HG22 ' A' ' 609' ' ' VAL . 1.8 ttpt -54.69 -56.52 18.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 1.0 109.302 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 645' ' ' LYS . . . . . 0.405 ' HD3' ' C ' ' A' ' 645' ' ' LYS . 0.1 OUTLIER -41.02 -52.07 3.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 1.0 109.242 -179.91 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 646' ' ' GLU . . . . . 0.637 ' CG ' HG22 ' A' ' 560' ' ' ILE . 0.2 OUTLIER -71.02 -31.45 67.94 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.513 1.133 . . . . 1.0 110.256 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 647' ' ' LEU . . . . . 0.891 HD12 ' C ' ' A' ' 643' ' ' TRP . 0.5 OUTLIER -70.77 -61.86 1.61 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.548 1.155 . . . . 1.0 109.249 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 648' ' ' ARG . . . . . 0.533 ' N ' ' O ' ' A' ' 644' ' ' LYS . 7.4 ttp180 -39.0 -54.28 1.69 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.452 1.095 . . . . 1.0 110.341 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 649' ' ' ASP . . . . . 0.42 ' O ' ' N ' ' A' ' 653' ' ' GLU . 0.2 OUTLIER -61.86 -51.44 68.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 1.0 109.319 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 650' ' ' ALA . . . . . 0.505 ' O ' ' SD ' ' A' ' 603' ' ' MET . . . -43.96 -51.05 7.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.145 . . . . 1.0 109.339 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 651' ' ' TYR . . . . . 1.206 ' CD2' HG21 ' A' ' 606' ' ' ILE . 12.4 m-30 -71.01 -41.52 70.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 1.0 110.953 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 652' ' ' ARG . . . . . 0.465 ' O ' ' N ' ' A' ' 655' ' ' GLN . 2.5 mmt180 -60.62 -63.34 1.33 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.411 1.069 . . . . 1.0 110.295 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 653' ' ' GLU . . . . . 0.65 ' O ' HD13 ' A' ' 657' ' ' LEU . 1.5 mp0 -40.3 -53.11 2.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 1.0 110.361 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 654' ' ' ALA . . . . . 0.883 ' HB2' ' SD ' ' A' ' 603' ' ' MET . . . -48.48 -42.35 32.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 1.0 109.222 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 655' ' ' GLN . . . . . 0.571 ' HA ' HG12 ' A' ' 658' ' ' VAL . 27.1 mt-30 -63.73 -67.86 0.39 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.489 1.118 . . . . 1.0 110.281 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 656' ' ' GLN . . . . . 0.568 ' HG3' HD13 ' A' ' 657' ' ' LEU . 5.5 pt20 -50.99 -22.2 2.16 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.512 1.133 . . . . 1.0 110.246 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 657' ' ' LEU . . . . . 0.65 HD13 ' O ' ' A' ' 653' ' ' GLU . 7.7 mp -86.95 -29.06 22.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 1.0 109.294 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 658' ' ' VAL . . . . . 0.571 HG12 ' HA ' ' A' ' 655' ' ' GLN . 0.8 OUTLIER -106.33 16.01 6.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.568 1.168 . . . . 1.0 109.317 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 659' ' ' GLN . . . . . 0.465 ' N ' ' O ' ' A' ' 655' ' ' GLN . 0.0 OUTLIER -84.71 46.78 1.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 1.0 110.31 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 660' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -86.72 15.8 5.36 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.509 1.131 . . . . 1.0 110.216 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 661' ' ' VAL . . . . . 0.462 ' O ' HG13 ' A' ' 661' ' ' VAL . 8.8 p -95.06 116.9 66.79 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.451 1.095 . . . . 1.0 109.324 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 662' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 139.13 23.9 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.559 1.821 . . . . 1.0 111.006 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 20.9 ttpp -70.53 -64.57 0.87 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 1.0 109.29 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 664' ' ' MET . . . . . . . . . . . . . 1.7 mtp -66.69 162.98 20.04 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.482 1.113 . . . . 1.0 110.994 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 3.8 mtpt -71.69 77.16 0.84 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 1.0 109.232 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 666' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -99.08 56.19 1.03 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.577 1.173 . . . . 1.0 109.198 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 667' ' ' LYS . . . . . 0.507 ' CB ' ' HD3' ' A' ' 668' ' ' PRO . 0.2 OUTLIER -81.75 -59.64 0.43 Allowed Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.49 1.118 . . . . 1.0 109.305 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 668' ' ' PRO . . . . . 0.507 ' HD3' ' CB ' ' A' ' 667' ' ' LYS . 18.4 Cg_endo -75.05 -30.36 7.17 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.425 1.75 . . . . 1.0 110.991 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 73.81 -57.61 0.62 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.428 1.08 . . . . 1.0 110.296 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.103 0 CA-C-O 117.023 -1.465 . . . . 1.0 109.986 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 559' ' ' CYS . . . . . 0.607 ' SG ' ' CD2' ' A' ' 562' ' ' HIS . 43.2 t . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 108.328 -0.99 . . . . 1.0 108.328 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 560' ' ' ILE . . . . . 0.76 HG22 ' HG2' ' A' ' 646' ' ' GLU . 3.6 mt -79.26 -60.87 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 1.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 561' ' ' MET . . . . . 0.473 ' SD ' ' CD1' ' A' ' 643' ' ' TRP . 0.0 OUTLIER -134.94 132.6 38.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 1.0 111.003 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 562' ' ' HIS . . . . . 0.607 ' CD2' ' SG ' ' A' ' 559' ' ' CYS . 2.0 p80 -142.72 156.81 45.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 1.0 109.564 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 563' ' ' GLY . . . . . 0.478 ' O ' ' CD1' ' A' ' 580' ' ' TYR . . . 148.42 -157.41 27.3 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.537 1.148 . . . . 1.0 110.985 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 564' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -88.9 127.71 35.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.519 0.776 . . . . 1.0 110.982 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 565' ' ' MET . . . . . 0.556 ' CE ' ' CE3' ' A' ' 643' ' ' TRP . 0.0 OUTLIER -142.9 123.62 14.16 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 1.0 111.02 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 566' ' ' SER . . . . . 0.48 ' OG ' ' O ' ' A' ' 633' ' ' GLN . 0.4 OUTLIER -93.02 127.41 38.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 1.0 109.997 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 567' ' ' LYS . . . . . 0.477 ' HA ' ' O ' ' A' ' 631' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.438 1.086 . . . . 1.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 578' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.302 -0.259 . . . . 1.0 110.302 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 579' ' ' ARG . . . . . 0.537 ' O ' ' O ' ' A' ' 565' ' ' MET . 7.8 mtt180 -137.35 156.43 48.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 1.0 110.313 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 580' ' ' TYR . . . . . 0.478 ' CD1' ' O ' ' A' ' 563' ' ' GLY . 0.4 OUTLIER -91.52 124.39 35.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 1.0 111.01 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 581' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -122.77 174.88 6.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 1.0 110.991 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 582' ' ' TYR . . . . . 0.57 ' O ' ' HA ' ' A' ' 588' ' ' LEU . 88.9 m-85 -149.4 113.97 5.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 1.0 111.009 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 583' ' ' LEU . . . . . 0.82 HD12 ' HG ' ' A' ' 647' ' ' LEU . 0.7 OUTLIER -87.75 111.69 21.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 1.0 109.331 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 584' ' ' PHE . . . . . 0.601 ' CD2' ' HD2' ' A' ' 585' ' ' PRO . 0.2 OUTLIER -99.13 -177.14 0.55 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 1.0 110.994 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 585' ' ' PRO . . . . . 0.601 ' HD2' ' CD2' ' A' ' 584' ' ' PHE . 18.3 Cg_endo -74.99 -6.08 17.61 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.502 1.791 . . . . 1.0 111.005 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 586' ' ' ASN . . . . . 0.619 ' HA ' ' CG ' ' A' ' 603' ' ' MET . 45.3 m-80 -165.58 -38.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 1.0 109.278 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 587' ' ' ARG . . . . . 0.553 ' HA ' ' HA ' ' A' ' 602' ' ' THR . 0.1 OUTLIER -90.18 -168.9 2.25 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.473 1.108 . . . . 1.0 110.286 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 588' ' ' LEU . . . . . 0.57 ' HA ' ' O ' ' A' ' 582' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 1.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.336 -0.616 . . . . 1.0 109.336 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 602' ' ' THR . . . . . 0.553 ' HA ' ' HA ' ' A' ' 587' ' ' ARG . 0.0 OUTLIER -123.74 -159.68 0.87 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 1.0 110.365 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 603' ' ' MET . . . . . 0.619 ' CG ' ' HA ' ' A' ' 586' ' ' ASN . 0.1 OUTLIER -131.74 38.5 3.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 1.0 111.008 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 604' ' ' GLU . . . . . 0.461 ' HB3' ' HB1' ' A' ' 654' ' ' ALA . 8.2 pt-20 -125.43 59.0 1.27 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 1.0 110.285 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 605' ' ' GLU . . . . . 0.545 ' O ' ' C ' ' A' ' 606' ' ' ILE . 2.6 pt-20 -158.05 -53.9 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 1.0 110.301 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 606' ' ' ILE . . . . . 1.194 HG21 ' CD2' ' A' ' 651' ' ' TYR . 0.9 OUTLIER -29.46 136.98 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 1.0 109.285 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 607' ' ' GLN . . . . . 0.563 ' HG2' ' CB ' ' A' ' 625' ' ' ARG . 0.0 OUTLIER -89.16 -39.95 13.23 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.496 1.123 . . . . 1.0 110.297 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 3.1 m -173.72 134.29 0.48 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 1.0 110.022 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 609' ' ' VAL . . . . . 1.048 HG22 ' CD ' ' A' ' 644' ' ' LYS . 3.6 p -107.11 135.36 45.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 1.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 610' ' ' GLU . . . . . 0.903 ' HG3' HD23 ' A' ' 621' ' ' LEU . 0.4 OUTLIER -161.31 169.22 22.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 1.0 110.292 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 611' ' ' GLU . . . . . 0.671 ' HA ' ' HA ' ' A' ' 620' ' ' LEU . 22.4 tt0 -120.88 146.87 46.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 1.0 110.257 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 612' ' ' THR . . . . . 0.638 HG23 ' HG3' ' A' ' 618' ' ' LYS . 1.2 t -107.32 161.71 14.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 1.0 110.384 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 613' ' ' GLN . . . . . 0.441 ' HA ' ' N ' ' A' ' 618' ' ' LYS . 12.6 mp0 -130.07 168.25 17.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 1.0 110.234 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 614' ' ' ILE . . . . . 0.75 HG22 ' O ' ' A' ' 614' ' ' ILE . 0.1 OUTLIER -149.31 86.38 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 1.0 109.257 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 615' ' ' LYS . . . . . 0.455 ' HB3' ' O ' ' A' ' 614' ' ' ILE . 15.3 tttt 82.13 -32.98 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 1.0 109.306 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 616' ' ' GLU . . . . . 0.441 ' H ' ' C ' ' A' ' 614' ' ' ILE . 0.9 OUTLIER -156.38 -50.42 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 1.0 110.306 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 3.9 ttt-85 -155.86 142.21 18.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 1.0 110.294 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 618' ' ' LYS . . . . . 0.638 ' HG3' HG23 ' A' ' 612' ' ' THR . 9.3 tptp -124.29 -98.55 0.42 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.474 1.109 . . . . 1.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 619' ' ' CYS . . . . . 0.449 ' HB3' ' O ' ' A' ' 632' ' ' LEU . 0.8 OUTLIER -155.96 175.81 13.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 1.0 108.291 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 620' ' ' LEU . . . . . 1.086 ' CD1' HD12 ' A' ' 640' ' ' LEU . 0.7 OUTLIER -89.54 167.21 13.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.15 . . . . 1.0 109.325 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 621' ' ' LEU . . . . . 0.903 HD23 ' HG3' ' A' ' 610' ' ' GLU . 0.3 OUTLIER -132.61 158.9 41.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 1.0 109.269 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 622' ' ' LEU . . . . . 0.871 HD21 ' CE2' ' A' ' 651' ' ' TYR . 0.3 OUTLIER -154.82 89.67 1.25 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 1.0 109.315 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 623' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.47 137.67 32.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 1.0 109.272 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 624' ' ' ILE . . . . . 0.974 HG22 ' H ' ' A' ' 626' ' ' GLY . 90.9 mt -102.55 143.95 14.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 1.0 109.305 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 625' ' ' ARG . . . . . 0.563 ' CB ' ' HG2' ' A' ' 607' ' ' GLN . 21.5 ptt180 -78.87 3.27 17.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 1.0 110.3 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 626' ' ' GLY . . . . . 0.974 ' H ' HG22 ' A' ' 624' ' ' ILE . . . -84.41 -25.64 42.5 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.496 1.123 . . . . 1.0 111.048 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 125.05 -1.86 8.4 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 110.973 -0.851 . . . . 1.0 110.973 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 628' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.91 163.54 12.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 0.77 . . . . 1.0 109.259 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -141.81 152.96 44.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 1.0 110.273 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 630' ' ' PHE . . . . . 0.458 ' HB3' ' CG ' ' A' ' 567' ' ' LYS . 20.6 m-85 -141.44 146.43 36.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 1.0 111.024 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 631' ' ' ILE . . . . . 0.499 ' O ' ' CG2' ' A' ' 631' ' ' ILE . 0.2 OUTLIER -105.37 112.53 39.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 1.0 109.321 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 632' ' ' LEU . . . . . 0.56 ' HG ' HD12 ' A' ' 622' ' ' LEU . 0.2 OUTLIER -83.01 137.54 34.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 1.0 109.295 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 633' ' ' GLN . . . . . 0.48 ' O ' ' OG ' ' A' ' 566' ' ' SER . 41.2 tt0 -157.13 136.91 12.38 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.502 1.126 . . . . 1.0 110.281 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 634' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -157.49 161.59 38.87 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 1.0 108.275 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 635' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.17 -20.45 37.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.095 . . . . 1.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 636' ' ' SER . . . . . 0.526 ' CB ' ' CG ' ' A' ' 639' ' ' GLU . 4.5 m -88.12 138.09 31.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 1.0 110.03 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 637' ' ' ASP . . . . . 0.679 ' N ' ' CD ' ' A' ' 638' ' ' PRO . 1.1 m-20 -82.87 -41.66 0.87 Allowed Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 1.0 109.339 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 638' ' ' PRO . . . . . 0.679 ' CD ' ' N ' ' A' ' 637' ' ' ASP . 18.2 Cg_endo -75.03 -54.37 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.511 1.795 . . . . 1.0 110.955 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 639' ' ' GLU . . . . . 0.538 ' C ' ' O ' ' A' ' 638' ' ' PRO . 20.6 mm-40 -26.95 -79.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 1.0 110.316 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 640' ' ' LEU . . . . . 1.086 HD12 ' CD1' ' A' ' 620' ' ' LEU . 0.2 OUTLIER -48.82 -46.1 41.42 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.475 1.11 . . . . 1.0 109.28 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 641' ' ' VAL . . . . . 0.624 HG12 ' N ' ' A' ' 642' ' ' GLN . 0.8 OUTLIER -46.69 -58.03 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 1.0 109.284 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 642' ' ' GLN . . . . . 0.624 ' N ' HG12 ' A' ' 641' ' ' VAL . 0.0 OUTLIER -62.14 -41.58 98.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.132 . . . . 1.0 110.27 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 643' ' ' TRP . . . . . 0.56 ' CZ3' ' HB2' ' A' ' 583' ' ' LEU . 20.0 m95 -53.35 -47.93 68.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 1.0 108.009 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 644' ' ' LYS . . . . . 1.048 ' CD ' HG22 ' A' ' 609' ' ' VAL . 0.0 OUTLIER -57.49 -62.55 1.7 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 1.0 109.28 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 645' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 644' ' ' LYS . 0.1 OUTLIER -37.44 -57.58 0.91 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.439 1.087 . . . . 1.0 109.34 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 646' ' ' GLU . . . . . 0.76 ' HG2' HG22 ' A' ' 560' ' ' ILE . 2.4 mp0 -68.84 -32.41 72.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 1.0 110.297 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 647' ' ' LEU . . . . . 0.923 HD22 ' OH ' ' A' ' 651' ' ' TYR . 10.9 mt -67.8 -62.09 1.57 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.437 1.086 . . . . 1.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 648' ' ' ARG . . . . . 0.577 ' N ' ' O ' ' A' ' 644' ' ' LYS . 9.1 ttp-105 -38.24 -55.47 1.32 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 1.0 110.27 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 649' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -59.09 -46.09 89.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 1.0 109.312 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 650' ' ' ALA . . . . . 0.548 ' O ' ' SD ' ' A' ' 603' ' ' MET . . . -48.34 -51.22 27.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 1.0 109.283 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 651' ' ' TYR . . . . . 1.194 ' CD2' HG21 ' A' ' 606' ' ' ILE . 2.1 m-30 -72.29 -38.83 68.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 1.0 110.994 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 652' ' ' ARG . . . . . 0.508 ' O ' ' HB2' ' A' ' 655' ' ' GLN . 0.0 OUTLIER -62.29 -64.55 0.89 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 1.0 110.282 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 653' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -44.01 -53.96 5.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 1.0 110.307 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 654' ' ' ALA . . . . . 0.58 ' HB2' ' HE3' ' A' ' 603' ' ' MET . . . -47.23 -38.6 12.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 1.0 109.288 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 655' ' ' GLN . . . . . 0.508 ' HB2' ' O ' ' A' ' 652' ' ' ARG . 60.9 mt-30 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 1.0 110.261 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 559' ' ' CYS . . . . . . . . . . . . . 2.9 t . . . . . 0 N--CA 1.454 -0.248 0 N-CA-C 108.279 -1.008 . . . . 1.0 108.279 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 560' ' ' ILE . . . . . 0.83 HD11 ' HA ' ' A' ' 585' ' ' PRO . 11.1 mt -101.44 -57.56 4.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 1.0 109.319 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 561' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -147.48 150.85 35.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 1.0 111.019 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 562' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -150.42 151.77 33.3 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.444 1.09 . . . . 1.0 109.638 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 563' ' ' GLY . . . . . 0.401 ' N ' ' HZ2' ' A' ' 643' ' ' TRP . . . 166.06 -163.5 36.84 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.534 1.146 . . . . 1.0 111.035 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 564' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -94.16 126.61 39.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 0.734 . . . . 1.0 110.991 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 565' ' ' MET . . . . . 0.734 ' SD ' HD22 ' A' ' 640' ' ' LEU . 20.8 mtm -144.44 148.64 34.85 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.476 1.11 . . . . 1.0 110.976 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 566' ' ' SER . . . . . 0.486 ' O ' ' N ' ' A' ' 633' ' ' GLN . 0.1 OUTLIER -112.51 133.1 54.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 1.0 109.959 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 567' ' ' LYS . . . . . 0.616 ' HD3' ' CD1' ' A' ' 630' ' ' PHE . 2.0 tmmt? . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 1.0 109.271 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 578' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.292 -0.262 . . . . 1.0 110.292 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 579' ' ' ARG . . . . . 0.579 ' O ' ' O ' ' A' ' 565' ' ' MET . 1.3 mtt180 -137.84 168.87 18.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 1.0 110.269 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 580' ' ' TYR . . . . . 0.624 ' CD1' ' CE1' ' A' ' 582' ' ' TYR . 0.8 OUTLIER -89.34 127.69 35.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.4 1.062 . . . . 1.0 110.989 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 581' ' ' PHE . . . . . 0.497 ' CZ ' ' HE3' ' A' ' 567' ' ' LYS . 2.7 m-85 -117.82 169.96 9.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 1.0 111.067 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 582' ' ' TYR . . . . . 0.624 ' CE1' ' CD1' ' A' ' 580' ' ' TYR . 39.8 m-85 -153.24 109.8 3.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 1.0 111.005 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 583' ' ' LEU . . . . . 0.93 HD12 ' HG ' ' A' ' 647' ' ' LEU . 1.0 OUTLIER -88.86 115.81 26.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 1.0 109.285 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 584' ' ' PHE . . . . . 0.578 ' CD2' ' HD2' ' A' ' 585' ' ' PRO . 0.3 OUTLIER -104.88 179.05 1.0 Allowed Pre-proline 0 C--N 1.324 -0.534 0 O-C-N 124.584 1.178 . . . . 1.0 110.931 -179.955 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 585' ' ' PRO . . . . . 0.83 ' HA ' HD11 ' A' ' 560' ' ' ILE . 18.6 Cg_endo -74.98 -2.03 12.0 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.42 1.748 . . . . 1.0 110.935 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 586' ' ' ASN . . . . . 0.812 ' O ' ' HG3' ' A' ' 603' ' ' MET . 3.5 m120 -164.74 -41.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.421 1.075 . . . . 1.0 109.289 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 587' ' ' ARG . . . . . 0.58 ' HA ' ' HA ' ' A' ' 602' ' ' THR . 0.1 OUTLIER -91.36 -173.14 3.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 1.09 . . . . 1.0 110.327 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 588' ' ' LEU . . . . . 0.619 ' HA ' ' O ' ' A' ' 582' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.4 1.062 . . . . 1.0 109.311 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 601' ' ' LEU . . . . . 0.796 HD23 ' OE2' ' A' ' 605' ' ' GLU . 1.1 tp . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.266 -0.642 . . . . 1.0 109.266 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 602' ' ' THR . . . . . 0.8 HG22 ' O ' ' A' ' 586' ' ' ASN . 0.1 OUTLIER -114.29 -162.72 0.83 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 1.0 110.398 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 603' ' ' MET . . . . . 0.962 ' SD ' ' HB2' ' A' ' 654' ' ' ALA . 0.0 OUTLIER -123.77 39.16 4.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 1.0 111.045 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 604' ' ' GLU . . . . . 0.588 ' HB3' ' HB1' ' A' ' 654' ' ' ALA . 13.6 pt-20 -125.89 58.23 1.34 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.45 1.094 . . . . 1.0 110.231 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 605' ' ' GLU . . . . . 0.796 ' OE2' HD23 ' A' ' 601' ' ' LEU . 4.0 pt-20 -158.7 -53.55 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 1.0 110.254 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 606' ' ' ILE . . . . . 1.232 HG21 ' CD2' ' A' ' 651' ' ' TYR . 0.9 OUTLIER -32.43 139.41 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.437 1.086 . . . . 1.0 109.349 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 607' ' ' GLN . . . . . 0.585 ' HG3' ' HA ' ' A' ' 625' ' ' ARG . 0.6 OUTLIER -92.79 -37.67 12.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 1.0 110.335 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 608' ' ' SER . . . . . 0.422 ' HB2' ' HD3' ' A' ' 623' ' ' LYS . 3.4 m -174.05 135.24 0.47 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.383 1.052 . . . . 1.0 110.019 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 609' ' ' VAL . . . . . 0.941 HG22 ' CD ' ' A' ' 644' ' ' LYS . 3.2 p -109.34 138.98 34.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.539 1.149 . . . . 1.0 109.261 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 610' ' ' GLU . . . . . 0.827 ' HG3' HD23 ' A' ' 621' ' ' LEU . 0.1 OUTLIER -158.71 -163.71 1.3 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.631 1.207 . . . . 1.0 110.347 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 611' ' ' GLU . . . . . 0.561 ' HA ' ' HA ' ' A' ' 620' ' ' LEU . 21.2 tt0 -140.54 147.33 39.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.568 1.168 . . . . 1.0 110.324 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 612' ' ' THR . . . . . 0.811 HG23 ' HG3' ' A' ' 618' ' ' LYS . 0.0 OUTLIER -111.65 163.71 13.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 1.0 110.431 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 613' ' ' GLN . . . . . 0.402 ' HA ' ' N ' ' A' ' 618' ' ' LYS . 7.8 mp0 -129.56 165.39 21.8 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.548 1.155 . . . . 1.0 110.344 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 614' ' ' ILE . . . . . 0.778 HG22 ' O ' ' A' ' 614' ' ' ILE . 0.1 OUTLIER -148.87 83.95 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.569 1.168 . . . . 1.0 109.279 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 615' ' ' LYS . . . . . 0.432 ' HB2' ' O ' ' A' ' 614' ' ' ILE . 0.1 OUTLIER 81.51 -32.92 0.1 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.512 1.132 . . . . 1.0 109.242 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 616' ' ' GLU . . . . . 0.448 ' H ' ' C ' ' A' ' 614' ' ' ILE . 3.0 tt0 -156.92 -47.95 0.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.581 1.176 . . . . 1.0 110.296 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 617' ' ' ARG . . . . . 0.524 ' CZ ' ' OD2' ' A' ' 637' ' ' ASP . 1.2 ttt180 -156.09 138.95 15.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.133 . . . . 1.0 110.215 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 618' ' ' LYS . . . . . 0.811 ' HG3' HG23 ' A' ' 612' ' ' THR . 7.5 tptt -119.2 -98.2 0.45 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.153 . . . . 1.0 109.267 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 619' ' ' CYS . . . . . 0.497 ' HB3' ' O ' ' A' ' 632' ' ' LEU . 39.4 m -156.6 -171.42 3.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.571 1.17 . . . . 1.0 108.286 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 620' ' ' LEU . . . . . 1.04 HD13 ' CD1' ' A' ' 640' ' ' LEU . 0.1 OUTLIER -96.66 147.35 23.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.595 1.184 . . . . 1.0 109.263 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 621' ' ' LEU . . . . . 0.827 HD23 ' HG3' ' A' ' 610' ' ' GLU . 7.1 tp -102.37 156.95 17.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 1.0 109.369 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 622' ' ' LEU . . . . . 0.907 HD12 HD11 ' A' ' 632' ' ' LEU . 0.7 OUTLIER -160.25 84.6 0.72 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.57 1.169 . . . . 1.0 109.365 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 623' ' ' LYS . . . . . 0.422 ' HD3' ' HB2' ' A' ' 608' ' ' SER . 0.0 OUTLIER -90.23 136.18 33.21 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.546 1.154 . . . . 1.0 109.272 -179.946 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 624' ' ' ILE . . . . . 0.889 HD13 HG13 ' A' ' 606' ' ' ILE . 1.7 mm -98.68 143.94 12.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.431 1.082 . . . . 1.0 109.266 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 625' ' ' ARG . . . . . 0.585 ' HA ' ' HG3' ' A' ' 607' ' ' GLN . 0.0 OUTLIER -78.51 3.46 15.93 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.432 1.082 . . . . 1.0 110.306 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 626' ' ' GLY . . . . . 0.849 ' H ' HG22 ' A' ' 624' ' ' ILE . . . -87.03 -29.81 21.97 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.526 1.141 . . . . 1.0 110.955 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 133.36 -6.52 4.98 Favored Glycine 0 CA--C 1.531 1.045 0 N-CA-C 111.029 -0.828 . . . . 1.0 111.029 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 628' ' ' LYS . . . . . . . . . . . . . 21.4 mtmt -98.67 167.15 10.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 0.753 . . . . 1.0 109.259 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -140.33 142.32 35.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 1.0 110.247 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 630' ' ' PHE . . . . . 0.616 ' CD1' ' HD3' ' A' ' 567' ' ' LYS . 0.5 OUTLIER -132.7 159.38 39.82 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.574 1.171 . . . . 1.0 111.001 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 631' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -137.87 125.05 28.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.382 1.051 . . . . 1.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 632' ' ' LEU . . . . . 0.907 HD11 HD12 ' A' ' 622' ' ' LEU . 0.4 OUTLIER -93.52 152.01 19.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 1.0 109.305 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 633' ' ' GLN . . . . . 0.486 ' N ' ' O ' ' A' ' 566' ' ' SER . 8.0 tp60 -155.34 114.92 3.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.098 . . . . 1.0 110.35 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 634' ' ' CYS . . . . . 0.596 ' HB2' HD23 ' A' ' 640' ' ' LEU . 0.2 OUTLIER -126.35 159.74 32.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.159 . . . . 1.0 108.328 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 635' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.77 -22.29 46.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 1.0 109.226 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 636' ' ' SER . . . . . 0.569 ' HB2' ' CG ' ' A' ' 639' ' ' GLU . 1.5 m -90.14 157.03 17.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 1.0 109.99 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 637' ' ' ASP . . . . . 0.693 ' N ' ' CD ' ' A' ' 638' ' ' PRO . 0.3 OUTLIER -91.77 -40.86 0.37 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 1.0 109.337 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 638' ' ' PRO . . . . . 0.693 ' CD ' ' N ' ' A' ' 637' ' ' ASP . 18.5 Cg_endo -74.99 -55.54 0.07 OUTLIER 'Trans proline' 0 C--N 1.358 1.07 0 O-C-N 124.485 1.781 . . . . 1.0 111.04 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 639' ' ' GLU . . . . . 0.584 ' C ' ' O ' ' A' ' 638' ' ' PRO . 13.8 mm-40 -23.05 -83.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 1.0 110.336 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 640' ' ' LEU . . . . . 1.04 ' CD1' HD13 ' A' ' 620' ' ' LEU . 0.2 OUTLIER -47.83 -46.72 31.22 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.537 1.148 . . . . 1.0 109.349 179.927 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 641' ' ' VAL . . . . . 0.61 HG12 ' N ' ' A' ' 642' ' ' GLN . 0.8 OUTLIER -46.23 -57.3 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 1.0 109.331 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 642' ' ' GLN . . . . . 0.61 ' N ' HG12 ' A' ' 641' ' ' VAL . 0.0 OUTLIER -63.68 -41.45 98.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 1.0 110.24 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 643' ' ' TRP . . . . . 0.533 ' CZ3' ' CB ' ' A' ' 583' ' ' LEU . 19.5 m95 -53.66 -46.2 70.51 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.567 1.167 . . . . 1.0 108.007 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 644' ' ' LYS . . . . . 0.941 ' CD ' HG22 ' A' ' 609' ' ' VAL . 0.1 OUTLIER -56.18 -59.08 5.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 1.0 109.291 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 645' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 644' ' ' LYS . 0.1 OUTLIER -38.9 -54.38 1.65 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 1.0 109.292 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 646' ' ' GLU . . . . . 0.617 ' HG2' HG22 ' A' ' 560' ' ' ILE . 0.2 OUTLIER -70.06 -35.11 74.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.588 1.18 . . . . 1.0 110.346 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 647' ' ' LEU . . . . . 0.93 ' HG ' HD12 ' A' ' 583' ' ' LEU . 5.4 mt -65.65 -60.39 2.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 1.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 648' ' ' ARG . . . . . 0.529 ' N ' ' O ' ' A' ' 644' ' ' LYS . 2.5 ttm180 -39.58 -51.91 2.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 1.0 110.291 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 649' ' ' ASP . . . . . 0.492 ' O ' ' N ' ' A' ' 653' ' ' GLU . 12.7 t0 -61.36 -42.07 98.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 1.0 109.352 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 650' ' ' ALA . . . . . 0.513 ' HB1' ' CB ' ' A' ' 603' ' ' MET . . . -53.28 -53.69 47.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 1.0 109.325 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 651' ' ' TYR . . . . . 1.232 ' CD2' HG21 ' A' ' 606' ' ' ILE . 5.9 m-30 -67.93 -29.38 68.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 1.0 110.972 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 652' ' ' ARG . . . . . 0.533 ' O ' ' HG2' ' A' ' 655' ' ' GLN . 0.0 OUTLIER -76.57 -70.73 0.43 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 1.0 110.273 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 653' ' ' GLU . . . . . 0.492 ' N ' ' O ' ' A' ' 649' ' ' ASP . 34.1 mt-10 -36.25 -33.17 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.424 1.077 . . . . 1.0 110.286 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 654' ' ' ALA . . . . . 0.962 ' HB2' ' SD ' ' A' ' 603' ' ' MET . . . -79.01 -51.04 10.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.087 . . . . 1.0 109.245 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 655' ' ' GLN . . . . . 0.533 ' HG2' ' O ' ' A' ' 652' ' ' ARG . 1.1 pt20 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.103 . . . . 1.0 110.185 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 559' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 108.349 -0.982 . . . . 1.0 108.349 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 560' ' ' ILE . . . . . 0.617 HD11 ' HA ' ' A' ' 585' ' ' PRO . 7.5 mt -84.61 -53.97 9.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.449 1.093 . . . . 1.0 109.32 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 561' ' ' MET . . . . . 0.51 ' HB2' ' OE1' ' A' ' 646' ' ' GLU . 0.0 OUTLIER -140.63 162.36 35.58 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.618 1.199 . . . . 1.0 111.034 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 562' ' ' HIS . . . . . . . . . . . . . 2.6 p80 -155.79 174.72 14.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.099 . . . . 1.0 109.626 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 563' ' ' GLY . . . . . . . . . . . . . . . 132.37 -161.49 23.93 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.441 1.088 . . . . 1.0 111.019 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 564' ' ' TYR . . . . . 0.402 ' HE1' ' CA ' ' A' ' 579' ' ' ARG . 0.2 OUTLIER -91.47 127.64 36.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.583 0.814 . . . . 1.0 111.024 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 565' ' ' MET . . . . . 0.588 ' O ' ' O ' ' A' ' 579' ' ' ARG . 0.0 OUTLIER -143.67 131.57 21.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 1.0 111.018 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 566' ' ' SER . . . . . 0.427 ' HB2' ' HA ' ' A' ' 578' ' ' ARG . 0.2 OUTLIER -105.78 140.03 39.45 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.591 1.182 . . . . 1.0 109.978 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 567' ' ' LYS . . . . . 0.597 ' HD3' ' CD1' ' A' ' 630' ' ' PHE . 0.8 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 1.0 109.242 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 578' ' ' ARG . . . . . 0.427 ' HA ' ' HB2' ' A' ' 566' ' ' SER . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.314 -0.254 . . . . 1.0 110.314 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 579' ' ' ARG . . . . . 0.588 ' O ' ' O ' ' A' ' 565' ' ' MET . 18.3 mtp180 -135.33 164.93 26.62 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.61 1.194 . . . . 1.0 110.332 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 580' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -89.08 129.3 35.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 1.0 110.92 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 581' ' ' PHE . . . . . 0.485 ' HB2' ' HB2' ' A' ' 565' ' ' MET . 2.7 m-85 -118.15 175.46 5.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.144 . . . . 1.0 111.048 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 582' ' ' TYR . . . . . 0.516 ' O ' ' HA ' ' A' ' 588' ' ' LEU . 60.6 m-85 -152.84 122.46 6.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 1.0 110.974 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 583' ' ' LEU . . . . . 0.773 ' HB2' ' CZ3' ' A' ' 643' ' ' TRP . 5.5 tp -92.59 114.65 27.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.147 . . . . 1.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 584' ' ' PHE . . . . . 0.556 ' HB2' ' C ' ' A' ' 587' ' ' ARG . 7.3 m-85 -106.58 172.59 3.76 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.419 1.075 . . . . 1.0 110.997 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 585' ' ' PRO . . . . . 0.667 ' O ' ' HE1' ' A' ' 603' ' ' MET . 18.1 Cg_endo -75.03 8.81 2.26 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.541 1.811 . . . . 1.0 111.007 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 586' ' ' ASN . . . . . 0.759 ' HA ' ' CG ' ' A' ' 603' ' ' MET . 39.1 m-20 -176.72 -38.81 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.524 1.14 . . . . 1.0 109.338 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 587' ' ' ARG . . . . . 0.649 ' HA ' ' HA ' ' A' ' 602' ' ' THR . 2.6 mtt-85 -87.91 -168.66 2.29 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 1.0 110.254 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 588' ' ' LEU . . . . . 0.519 ' C ' HD12 ' A' ' 588' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 1.0 109.348 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 4.0 mt . . . . . 0 N--CA 1.452 -0.37 0 N-CA-C 109.312 -0.625 . . . . 1.0 109.312 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 602' ' ' THR . . . . . 0.702 HG22 ' O ' ' A' ' 586' ' ' ASN . 0.0 OUTLIER -114.23 -167.35 1.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 1.0 110.356 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 603' ' ' MET . . . . . 0.759 ' CG ' ' HA ' ' A' ' 586' ' ' ASN . 0.1 OUTLIER -127.05 34.78 4.69 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.399 1.062 . . . . 1.0 111.023 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 604' ' ' GLU . . . . . 0.659 ' HB3' ' HB1' ' A' ' 654' ' ' ALA . 3.9 pt-20 -124.84 60.96 1.17 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.44 1.088 . . . . 1.0 110.361 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 605' ' ' GLU . . . . . 0.494 ' O ' ' C ' ' A' ' 606' ' ' ILE . 3.7 pt-20 -159.29 -51.04 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.117 . . . . 1.0 110.271 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 606' ' ' ILE . . . . . 1.271 HG21 ' CD2' ' A' ' 651' ' ' TYR . 0.9 OUTLIER -33.84 142.28 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.549 1.156 . . . . 1.0 109.298 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 607' ' ' GLN . . . . . 0.622 ' HG2' ' CB ' ' A' ' 625' ' ' ARG . 0.0 OUTLIER -93.75 -38.94 11.02 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.524 1.14 . . . . 1.0 110.27 -179.931 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -173.46 136.76 0.61 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 1.0 109.901 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 609' ' ' VAL . . . . . 0.917 HG22 ' CD ' ' A' ' 644' ' ' LYS . 5.3 p -109.96 141.47 25.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 1.0 109.332 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 610' ' ' GLU . . . . . 0.888 ' CD ' HD23 ' A' ' 621' ' ' LEU . 0.4 OUTLIER -161.16 -169.65 2.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 1.0 110.306 -179.937 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 611' ' ' GLU . . . . . 0.618 ' HA ' ' HA ' ' A' ' 620' ' ' LEU . 26.2 tt0 -137.83 149.07 46.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.153 . . . . 1.0 110.328 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 612' ' ' THR . . . . . 0.832 HG23 ' HG3' ' A' ' 618' ' ' LYS . 0.0 OUTLIER -114.74 165.99 12.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 1.0 110.339 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 613' ' ' GLN . . . . . 0.4 ' CA ' ' HB3' ' A' ' 618' ' ' LYS . 10.7 mp0 -133.57 160.9 36.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 1.0 110.337 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 614' ' ' ILE . . . . . 0.785 HG22 ' O ' ' A' ' 614' ' ' ILE . 0.2 OUTLIER -144.84 86.09 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 O-C-N 124.562 1.164 . . . . 1.0 109.282 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 615' ' ' LYS . . . . . 0.412 ' CB ' ' O ' ' A' ' 614' ' ' ILE . 10.5 mmtm 81.9 -35.37 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.432 1.082 . . . . 1.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 616' ' ' GLU . . . . . 0.44 ' H ' ' C ' ' A' ' 614' ' ' ILE . 1.4 tt0 -155.6 -48.73 0.08 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.45 1.094 . . . . 1.0 110.288 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 5.6 ttt85 -153.41 138.11 16.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.57 1.169 . . . . 1.0 110.343 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 618' ' ' LYS . . . . . 0.832 ' HG3' HG23 ' A' ' 612' ' ' THR . 9.3 tptt -118.83 -97.52 0.46 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.438 1.086 . . . . 1.0 109.242 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 619' ' ' CYS . . . . . 0.498 ' O ' ' CG ' ' A' ' 611' ' ' GLU . 18.0 m -158.36 -169.77 2.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 1.0 108.251 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 620' ' ' LEU . . . . . 1.057 HD13 HD12 ' A' ' 640' ' ' LEU . 0.1 OUTLIER -102.94 148.33 25.81 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.541 1.151 . . . . 1.0 109.299 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 621' ' ' LEU . . . . . 0.888 HD23 ' CD ' ' A' ' 610' ' ' GLU . 4.9 tp -103.5 156.54 17.69 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.486 1.116 . . . . 1.0 109.306 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 622' ' ' LEU . . . . . 0.885 HD12 HD11 ' A' ' 632' ' ' LEU . 0.9 OUTLIER -157.14 84.37 0.93 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.449 1.093 . . . . 1.0 109.305 179.934 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 623' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.28 138.26 31.59 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.534 1.146 . . . . 1.0 109.349 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 624' ' ' ILE . . . . . 0.925 HG22 ' H ' ' A' ' 626' ' ' GLY . 35.9 mt -103.99 145.02 13.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 1.0 109.233 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 625' ' ' ARG . . . . . 0.622 ' CB ' ' HG2' ' A' ' 607' ' ' GLN . 5.0 ptm180 -79.91 2.17 24.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 1.0 110.338 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 626' ' ' GLY . . . . . 0.925 ' H ' HG22 ' A' ' 624' ' ' ILE . . . -89.49 -21.33 41.1 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.492 1.12 . . . . 1.0 110.993 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 116.99 43.52 0.61 Allowed Glycine 0 CA--C 1.53 0.986 0 N-CA-C 110.976 -0.85 . . . . 1.0 110.976 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 628' ' ' LYS . . . . . . . . . . . . . 11.9 mttt -139.56 171.38 14.32 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.478 0.752 . . . . 1.0 109.303 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 15.9 mp0 -149.91 126.86 11.15 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.51 1.131 . . . . 1.0 110.337 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 630' ' ' PHE . . . . . 0.597 ' CD1' ' HD3' ' A' ' 567' ' ' LYS . 1.0 OUTLIER -123.53 167.78 13.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.425 1.078 . . . . 1.0 111.044 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 631' ' ' ILE . . . . . 0.503 ' O ' ' HG2' ' A' ' 567' ' ' LYS . 0.2 OUTLIER -144.64 115.67 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 1.0 109.248 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 632' ' ' LEU . . . . . 0.885 HD11 HD12 ' A' ' 622' ' ' LEU . 0.5 OUTLIER -84.03 154.28 23.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.563 1.165 . . . . 1.0 109.276 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 633' ' ' GLN . . . . . 0.448 ' CG ' ' C ' ' A' ' 632' ' ' LEU . 4.0 mt-30 -154.39 133.42 12.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 1.0 110.326 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 634' ' ' CYS . . . . . . . . . . . . . 1.6 t -155.45 162.53 40.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.535 1.147 . . . . 1.0 108.271 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 635' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -84.17 -16.68 42.61 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.112 . . . . 1.0 109.329 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 636' ' ' SER . . . . . 0.598 ' CB ' ' CG ' ' A' ' 639' ' ' GLU . 1.0 OUTLIER -86.93 133.66 33.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 1.0 109.941 -179.892 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 637' ' ' ASP . . . . . 0.662 ' N ' ' CD ' ' A' ' 638' ' ' PRO . 1.2 m-20 -78.29 -43.12 2.11 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.428 1.08 . . . . 1.0 109.319 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 638' ' ' PRO . . . . . 0.662 ' CD ' ' N ' ' A' ' 637' ' ' ASP . 18.0 Cg_endo -75.01 -51.18 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.592 1.838 . . . . 1.0 110.998 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 639' ' ' GLU . . . . . 0.598 ' CG ' ' CB ' ' A' ' 636' ' ' SER . 58.9 mm-40 -26.52 -80.66 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.487 1.117 . . . . 1.0 110.339 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 640' ' ' LEU . . . . . 1.057 HD12 HD13 ' A' ' 620' ' ' LEU . 0.2 OUTLIER -49.89 -45.37 50.67 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.489 1.118 . . . . 1.0 109.343 179.941 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 641' ' ' VAL . . . . . 0.62 HG12 ' N ' ' A' ' 642' ' ' GLN . 0.8 OUTLIER -47.24 -58.0 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.529 1.143 . . . . 1.0 109.29 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 642' ' ' GLN . . . . . 0.62 ' N ' HG12 ' A' ' 641' ' ' VAL . 1.1 tt0 -64.8 -38.5 91.19 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.55 1.156 . . . . 1.0 110.187 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 643' ' ' TRP . . . . . 0.773 ' CZ3' ' HB2' ' A' ' 583' ' ' LEU . 20.6 m95 -57.45 -41.65 80.93 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 1.0 108.049 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 644' ' ' LYS . . . . . 0.917 ' CD ' HG22 ' A' ' 609' ' ' VAL . 0.0 OUTLIER -60.15 -57.1 14.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 1.0 109.365 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 645' ' ' LYS . . . . . 0.401 ' C ' ' HD3' ' A' ' 645' ' ' LYS . 0.1 OUTLIER -40.7 -51.26 3.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 1.0 109.332 179.942 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 646' ' ' GLU . . . . . 0.635 ' CB ' HD23 ' A' ' 583' ' ' LEU . 5.5 mt-10 -75.54 -33.49 60.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 1.0 110.21 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 647' ' ' LEU . . . . . 0.673 ' CD2' HD11 ' A' ' 583' ' ' LEU . 2.5 mt -65.99 -64.18 0.92 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.441 1.088 . . . . 1.0 109.263 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 648' ' ' ARG . . . . . 0.527 ' N ' ' O ' ' A' ' 644' ' ' LYS . 6.1 ttt180 -43.6 -47.81 7.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 1.0 110.285 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 649' ' ' ASP . . . . . 0.542 ' O ' ' N ' ' A' ' 653' ' ' GLU . 12.4 t70 -65.08 -48.72 72.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.614 1.196 . . . . 1.0 109.242 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 650' ' ' ALA . . . . . 0.703 ' HB1' ' SD ' ' A' ' 603' ' ' MET . . . -46.97 -40.84 15.18 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.499 1.124 . . . . 1.0 109.257 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 651' ' ' TYR . . . . . 1.271 ' CD2' HG21 ' A' ' 606' ' ' ILE . 12.5 m-30 -80.17 -42.6 23.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 1.0 111.02 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 652' ' ' ARG . . . . . 0.503 ' CD ' ' HA ' ' A' ' 649' ' ' ASP . 0.1 OUTLIER -67.53 -37.43 82.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.086 . . . . 1.0 110.325 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 653' ' ' GLU . . . . . 0.542 ' N ' ' O ' ' A' ' 649' ' ' ASP . 1.1 tt0 -68.39 -38.19 81.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 1.0 110.332 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 654' ' ' ALA . . . . . 0.659 ' HB1' ' HB3' ' A' ' 604' ' ' GLU . . . -77.09 -54.24 6.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 1.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 655' ' ' GLN . . . . . 0.462 ' HG2' ' O ' ' A' ' 652' ' ' ARG . 10.9 pt20 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 1.0 110.317 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 559' ' ' CYS . . . . . . . . . . . . . 3.5 t . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 108.294 -1.002 . . . . 1.0 108.294 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 560' ' ' ILE . . . . . 0.756 HD11 ' HA ' ' A' ' 585' ' ' PRO . 37.9 mt -95.53 -68.07 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 1.0 109.348 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 561' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -135.72 149.5 49.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 1.0 111.011 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 562' ' ' HIS . . . . . . . . . . . . . 5.8 p80 -140.61 165.36 27.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.417 1.073 . . . . 1.0 109.708 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 563' ' ' GLY . . . . . . . . . . . . . . . 148.33 -164.34 29.0 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.461 1.1 . . . . 1.0 110.996 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 564' ' ' TYR . . . . . 0.408 ' OH ' ' NE ' ' A' ' 578' ' ' ARG . 0.2 OUTLIER -96.32 126.78 41.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 0.75 . . . . 1.0 110.945 -179.942 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 565' ' ' MET . . . . . 0.54 ' HB2' ' HB2' ' A' ' 581' ' ' PHE . 0.0 OUTLIER -140.39 133.1 28.91 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.511 1.132 . . . . 1.0 111.022 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 566' ' ' SER . . . . . 0.655 ' OG ' ' O ' ' A' ' 633' ' ' GLN . 9.0 p -111.22 127.56 55.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.581 1.175 . . . . 1.0 109.975 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 567' ' ' LYS . . . . . 0.615 ' HD2' ' CD2' ' A' ' 630' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 1.0 109.254 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 578' ' ' ARG . . . . . 0.522 ' HA ' ' HB2' ' A' ' 566' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.294 -0.261 . . . . 1.0 110.294 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 579' ' ' ARG . . . . . 0.447 ' O ' ' O ' ' A' ' 565' ' ' MET . 42.5 mtt180 -155.02 -178.17 7.05 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.506 1.129 . . . . 1.0 110.301 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 580' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -88.39 131.22 34.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.432 1.083 . . . . 1.0 111.035 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 581' ' ' PHE . . . . . 0.54 ' HB2' ' HB2' ' A' ' 565' ' ' MET . 4.1 m-85 -117.69 165.99 12.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 1.0 111.052 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 582' ' ' TYR . . . . . 0.515 ' O ' ' HA ' ' A' ' 588' ' ' LEU . 4.4 m-85 -146.4 116.8 7.48 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.534 1.146 . . . . 1.0 110.982 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 583' ' ' LEU . . . . . 0.694 ' HB2' ' CZ3' ' A' ' 643' ' ' TRP . 5.7 tp -91.2 116.01 28.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 1.0 109.38 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 584' ' ' PHE . . . . . 0.623 ' O ' HD12 ' A' ' 560' ' ' ILE . 0.6 OUTLIER -108.65 174.19 2.58 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 1.0 110.966 -179.92 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 585' ' ' PRO . . . . . 0.756 ' HA ' HD11 ' A' ' 560' ' ' ILE . 18.1 Cg_endo -75.02 -1.43 11.22 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.521 1.801 . . . . 1.0 110.99 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 586' ' ' ASN . . . . . 0.816 ' O ' HG22 ' A' ' 602' ' ' THR . 3.2 m120 -165.81 -40.49 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 1.0 109.24 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 587' ' ' ARG . . . . . 0.541 ' HA ' ' HA ' ' A' ' 602' ' ' THR . 2.5 mtp180 -90.08 -167.73 1.92 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 1.0 110.283 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 588' ' ' LEU . . . . . 0.515 ' HA ' ' O ' ' A' ' 582' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.52 0 O-C-N 124.417 1.073 . . . . 1.0 109.385 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.369 -0.604 . . . . 1.0 109.369 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 602' ' ' THR . . . . . 0.816 HG22 ' O ' ' A' ' 586' ' ' ASN . 0.1 OUTLIER -118.12 -160.43 0.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 1.0 110.414 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 603' ' ' MET . . . . . 0.727 ' CE ' ' HB2' ' A' ' 654' ' ' ALA . 0.1 OUTLIER -137.42 37.1 2.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.103 . . . . 1.0 111.058 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -125.26 57.46 1.31 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.435 1.084 . . . . 1.0 110.317 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 605' ' ' GLU . . . . . 0.522 ' O ' ' C ' ' A' ' 606' ' ' ILE . 3.9 pt-20 -158.77 -55.52 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 1.0 110.276 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 606' ' ' ILE . . . . . 1.219 HG21 ' CD2' ' A' ' 651' ' ' TYR . 0.9 OUTLIER -30.93 137.42 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 1.0 109.293 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 607' ' ' GLN . . . . . 0.523 ' HG2' ' CB ' ' A' ' 625' ' ' ARG . 0.0 OUTLIER -87.73 -39.49 14.91 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 1.0 110.27 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 1.5 m -174.81 135.32 0.38 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 1.0 110.03 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 609' ' ' VAL . . . . . 0.928 HG22 ' CD ' ' A' ' 644' ' ' LYS . 3.1 p -107.63 140.81 24.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.463 1.102 . . . . 1.0 109.23 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 610' ' ' GLU . . . . . 0.882 ' HG3' HD23 ' A' ' 621' ' ' LEU . 0.2 OUTLIER -158.51 -167.92 2.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 1.0 110.331 179.945 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 611' ' ' GLU . . . . . 0.65 ' HA ' ' HA ' ' A' ' 620' ' ' LEU . 27.4 tt0 -140.37 149.02 42.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.389 1.056 . . . . 1.0 110.333 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 612' ' ' THR . . . . . 0.817 HG23 ' HG3' ' A' ' 618' ' ' LYS . 0.0 OUTLIER -115.23 164.79 13.72 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.546 1.154 . . . . 1.0 110.397 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 11.1 mp0 -128.54 163.92 23.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 1.0 110.341 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 614' ' ' ILE . . . . . 0.778 HG22 ' O ' ' A' ' 614' ' ' ILE . 0.1 OUTLIER -148.16 83.19 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.414 1.071 . . . . 1.0 109.347 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 615' ' ' LYS . . . . . 0.436 ' HB3' ' O ' ' A' ' 614' ' ' ILE . 9.0 ttmt 81.39 -33.13 0.1 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.438 1.087 . . . . 1.0 109.252 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 616' ' ' GLU . . . . . 0.451 ' H ' ' C ' ' A' ' 614' ' ' ILE . 1.9 tt0 -156.77 -47.67 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 1.0 110.298 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 12.2 ttt-85 -156.49 137.69 13.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.581 1.175 . . . . 1.0 110.245 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 618' ' ' LYS . . . . . 0.817 ' HG3' HG23 ' A' ' 612' ' ' THR . 2.1 tptt -117.66 -98.05 0.46 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 1.0 109.264 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 619' ' ' CYS . . . . . 0.484 ' O ' ' CG ' ' A' ' 611' ' ' GLU . 25.5 m -157.35 -173.19 4.3 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.587 1.179 . . . . 1.0 108.316 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 620' ' ' LEU . . . . . 0.828 HD13 ' CG ' ' A' ' 640' ' ' LEU . 0.2 OUTLIER -102.9 138.15 40.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 1.0 109.362 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 621' ' ' LEU . . . . . 0.882 HD23 ' HG3' ' A' ' 610' ' ' GLU . 3.8 tp -91.46 161.04 15.14 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.536 1.147 . . . . 1.0 109.279 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 622' ' ' LEU . . . . . 0.849 HD21 ' HE2' ' A' ' 651' ' ' TYR . 0.6 OUTLIER -161.8 83.42 0.59 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 1.0 109.34 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 623' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.18 138.52 31.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.523 1.139 . . . . 1.0 109.313 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 624' ' ' ILE . . . . . 0.943 HG22 ' H ' ' A' ' 626' ' ' GLY . 62.8 mt -102.62 145.66 11.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 1.0 109.36 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 625' ' ' ARG . . . . . 0.523 ' CB ' ' HG2' ' A' ' 607' ' ' GLN . 0.1 OUTLIER -79.05 2.69 19.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.388 1.055 . . . . 1.0 110.327 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 626' ' ' GLY . . . . . 0.943 ' H ' HG22 ' A' ' 624' ' ' ILE . . . -91.67 -23.02 29.47 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.454 1.096 . . . . 1.0 111.057 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 117.86 47.49 0.44 Allowed Glycine 0 CA--C 1.531 1.032 0 N-CA-C 111.008 -0.837 . . . . 1.0 111.008 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 628' ' ' LYS . . . . . . . . . . . . . 3.8 mtmt -144.47 168.99 18.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 0.765 . . . . 1.0 109.254 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -142.64 130.83 22.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.592 1.183 . . . . 1.0 110.333 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 630' ' ' PHE . . . . . 0.615 ' CD2' ' HD2' ' A' ' 567' ' ' LYS . 1.5 m-85 -126.36 150.24 48.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.437 1.086 . . . . 1.0 111.004 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 631' ' ' ILE . . . . . 0.494 ' HA ' ' O ' ' A' ' 620' ' ' LEU . 0.1 OUTLIER -129.75 117.78 42.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 1.0 109.408 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 632' ' ' LEU . . . . . 0.809 HD11 HD12 ' A' ' 622' ' ' LEU . 1.1 mp -92.47 160.28 15.14 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.495 1.122 . . . . 1.0 109.335 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 633' ' ' GLN . . . . . 0.655 ' O ' ' OG ' ' A' ' 566' ' ' SER . 11.2 tp60 -158.03 125.05 4.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.438 1.087 . . . . 1.0 110.339 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 634' ' ' CYS . . . . . 0.628 ' SG ' HD23 ' A' ' 640' ' ' LEU . 15.5 p -130.55 153.26 49.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 1.0 108.405 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 635' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -80.93 -12.83 59.33 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.149 . . . . 1.0 109.241 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 636' ' ' SER . . . . . 0.517 ' CB ' ' HG3' ' A' ' 639' ' ' GLU . 0.5 OUTLIER -91.8 165.79 13.09 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.555 1.159 . . . . 1.0 109.978 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 637' ' ' ASP . . . . . 0.535 ' N ' ' CD ' ' A' ' 638' ' ' PRO . 0.2 OUTLIER -94.92 -51.06 0.25 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.565 1.166 . . . . 1.0 109.276 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 638' ' ' PRO . . . . . 0.57 ' O ' ' C ' ' A' ' 639' ' ' GLU . 18.4 Cg_endo -74.97 -45.51 0.28 Allowed 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.538 1.81 . . . . 1.0 110.917 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 639' ' ' GLU . . . . . 0.57 ' C ' ' O ' ' A' ' 638' ' ' PRO . 4.6 mt-10 -23.81 -73.04 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.587 1.179 . . . . 1.0 110.311 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 640' ' ' LEU . . . . . 0.828 ' CG ' HD13 ' A' ' 620' ' ' LEU . 0.2 OUTLIER -57.03 -52.2 66.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 1.0 109.262 -179.92 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 641' ' ' VAL . . . . . 0.537 HG12 ' N ' ' A' ' 642' ' ' GLN . 0.5 OUTLIER -40.69 -53.76 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.562 1.164 . . . . 1.0 109.324 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 642' ' ' GLN . . . . . 0.537 ' N ' HG12 ' A' ' 641' ' ' VAL . 2.3 mp0 -69.9 -41.87 74.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 1.0 110.305 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 643' ' ' TRP . . . . . 0.73 ' O ' HD12 ' A' ' 647' ' ' LEU . 16.2 m95 -55.46 -41.12 72.48 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.492 1.12 . . . . 1.0 108.038 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 644' ' ' LYS . . . . . 0.928 ' CD ' HG22 ' A' ' 609' ' ' VAL . 0.0 OUTLIER -65.14 -57.56 8.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 1.0 109.367 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 8.4 tmtm? -42.03 -54.56 3.49 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.558 1.161 . . . . 1.0 109.337 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 646' ' ' GLU . . . . . 0.474 ' HB3' HD23 ' A' ' 583' ' ' LEU . 1.5 mp0 -70.23 -26.33 63.81 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 1.0 110.3 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 647' ' ' LEU . . . . . 0.73 HD12 ' O ' ' A' ' 643' ' ' TRP . 0.4 OUTLIER -72.96 -62.59 1.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 1.0 109.275 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 648' ' ' ARG . . . . . 0.524 ' O ' ' CG ' ' A' ' 652' ' ' ARG . 0.9 OUTLIER -40.0 -52.49 2.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.625 1.203 . . . . 1.0 110.337 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 649' ' ' ASP . . . . . 0.455 ' O ' ' N ' ' A' ' 653' ' ' GLU . 27.2 t70 -58.06 -47.44 83.16 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 1.0 109.3 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 650' ' ' ALA . . . . . 0.499 ' HB1' ' SD ' ' A' ' 603' ' ' MET . . . -48.98 -57.27 6.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.566 1.166 . . . . 1.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 651' ' ' TYR . . . . . 1.219 ' CD2' HG21 ' A' ' 606' ' ' ILE . 13.9 m-30 -67.16 -27.07 66.99 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.466 1.104 . . . . 1.0 110.975 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 652' ' ' ARG . . . . . 0.581 ' O ' ' N ' ' A' ' 655' ' ' GLN . 10.1 mmm180 -74.47 -67.96 0.58 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.423 1.077 . . . . 1.0 110.358 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 653' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 649' ' ' ASP . 13.3 mt-10 -44.29 -30.44 0.81 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 1.0 110.347 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 654' ' ' ALA . . . . . 0.727 ' HB2' ' CE ' ' A' ' 603' ' ' MET . . . -74.88 -34.49 62.23 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 1.0 109.37 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 655' ' ' GLN . . . . . 0.581 ' N ' ' O ' ' A' ' 652' ' ' ARG . 3.5 pt20 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 1.0 110.35 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 559' ' ' CYS . . . . . . . . . . . . . 5.4 t . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 108.271 -1.011 . . . . 1.0 108.271 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 560' ' ' ILE . . . . . 0.898 HD11 ' HA ' ' A' ' 585' ' ' PRO . 40.9 mt -99.63 -66.05 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.477 1.11 . . . . 1.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 561' ' ' MET . . . . . 0.419 ' SD ' ' OE2' ' A' ' 646' ' ' GLU . 0.0 OUTLIER -138.13 131.51 30.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 1.0 110.956 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 562' ' ' HIS . . . . . . . . . . . . . 6.3 p80 -127.57 161.16 29.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 1.0 109.602 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 563' ' ' GLY . . . . . . . . . . . . . . . 153.75 -163.11 30.71 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.487 1.117 . . . . 1.0 111.047 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 564' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -94.31 125.65 39.08 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.5 0.765 . . . . 1.0 110.948 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 565' ' ' MET . . . . . 0.718 ' SD ' HD22 ' A' ' 640' ' ' LEU . 0.2 OUTLIER -139.57 145.74 38.99 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.485 1.116 . . . . 1.0 111.058 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 566' ' ' SER . . . . . 0.559 ' OG ' ' HG3' ' A' ' 633' ' ' GLN . 0.6 OUTLIER -113.87 145.68 41.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 1.0 110.064 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 567' ' ' LYS . . . . . 0.783 ' HE3' HD22 ' A' ' 632' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 1.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 578' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 110.275 -0.268 . . . . 1.0 110.275 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 579' ' ' ARG . . . . . 0.573 ' O ' ' O ' ' A' ' 565' ' ' MET . 44.5 mtp180 -130.45 165.65 22.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 1.0 110.329 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 580' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -88.29 127.61 35.47 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 1.0 110.991 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 581' ' ' PHE . . . . . 0.488 ' CE1' ' O ' ' A' ' 565' ' ' MET . 55.2 m-85 -124.54 169.91 11.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.154 . . . . 1.0 110.996 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 582' ' ' TYR . . . . . 0.551 ' CA ' ' HH2' ' A' ' 643' ' ' TRP . 32.4 m-85 -146.91 121.99 10.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 1.0 110.984 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 583' ' ' LEU . . . . . 0.818 ' HB2' ' CZ3' ' A' ' 643' ' ' TRP . 8.1 tp -90.5 112.71 24.47 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.501 1.126 . . . . 1.0 109.318 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 584' ' ' PHE . . . . . 0.547 ' O ' HD12 ' A' ' 560' ' ' ILE . 0.6 OUTLIER -104.55 170.51 5.97 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 1.0 111.025 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 585' ' ' PRO . . . . . 0.898 ' HA ' HD11 ' A' ' 560' ' ' ILE . 18.3 Cg_endo -75.0 7.34 2.91 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.474 1.776 . . . . 1.0 111.042 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 586' ' ' ASN . . . . . 0.716 ' HA ' ' CG ' ' A' ' 603' ' ' MET . 14.3 m120 -170.65 -44.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 1.0 109.292 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 587' ' ' ARG . . . . . 0.584 ' HA ' ' HA ' ' A' ' 602' ' ' THR . 3.5 mtp85 -88.53 -170.99 3.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.55 1.157 . . . . 1.0 110.374 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 588' ' ' LEU . . . . . 0.508 ' C ' HD12 ' A' ' 588' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 1.0 109.3 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.327 -0.62 . . . . 1.0 109.327 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 602' ' ' THR . . . . . 0.605 HG22 ' O ' ' A' ' 586' ' ' ASN . 0.0 OUTLIER -120.58 -165.18 1.17 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 1.0 110.363 -179.945 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 603' ' ' MET . . . . . 0.791 ' SD ' ' HB1' ' A' ' 650' ' ' ALA . 0.8 OUTLIER -127.38 38.52 4.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 1.0 111.036 -179.941 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -125.95 58.53 1.34 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.534 1.146 . . . . 1.0 110.331 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 605' ' ' GLU . . . . . 0.553 ' HG3' HD12 ' A' ' 606' ' ' ILE . 3.2 pt-20 -159.0 -57.7 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 1.0 110.309 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 606' ' ' ILE . . . . . 1.22 HG21 ' CD2' ' A' ' 651' ' ' TYR . 1.3 mp -34.94 140.44 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 1.0 109.35 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 607' ' ' GLN . . . . . 0.54 ' HG2' ' CB ' ' A' ' 625' ' ' ARG . 0.0 OUTLIER -91.87 -36.12 13.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 1.0 110.259 -179.929 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 608' ' ' SER . . . . . 0.401 ' HB2' ' HD3' ' A' ' 623' ' ' LYS . 2.2 m -174.0 132.53 0.42 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.576 1.172 . . . . 1.0 109.995 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 609' ' ' VAL . . . . . 1.1 HG22 ' CD ' ' A' ' 644' ' ' LYS . 1.7 p -106.03 128.98 59.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 1.0 109.343 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 610' ' ' GLU . . . . . 0.851 ' CD ' HD23 ' A' ' 621' ' ' LEU . 0.2 OUTLIER -146.87 -168.83 3.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 1.0 110.23 -179.917 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 611' ' ' GLU . . . . . 0.589 ' HA ' ' HA ' ' A' ' 620' ' ' LEU . 23.3 tt0 -140.45 146.91 38.86 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.57 1.169 . . . . 1.0 110.305 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 612' ' ' THR . . . . . 0.879 HG23 ' HG3' ' A' ' 618' ' ' LYS . 0.1 OUTLIER -112.15 164.18 13.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 1.0 110.413 -179.932 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -129.52 162.21 28.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 1.0 110.29 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 614' ' ' ILE . . . . . 0.795 HG22 ' O ' ' A' ' 614' ' ' ILE . 0.1 OUTLIER -145.74 84.12 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 1.0 109.331 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 615' ' ' LYS . . . . . 0.406 ' CB ' ' O ' ' A' ' 614' ' ' ILE . 0.9 OUTLIER 82.33 -34.52 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 1.0 109.257 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 616' ' ' GLU . . . . . 0.424 ' H ' ' C ' ' A' ' 614' ' ' ILE . 0.8 OUTLIER -156.36 -47.07 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 1.0 110.39 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -155.99 136.69 13.37 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.389 1.055 . . . . 1.0 110.29 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 618' ' ' LYS . . . . . 0.879 ' HG3' HG23 ' A' ' 612' ' ' THR . 0.4 OUTLIER -117.1 -98.27 0.45 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 1.0 109.35 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 619' ' ' CYS . . . . . 0.457 ' O ' ' CG ' ' A' ' 611' ' ' GLU . 57.2 m -156.35 -173.86 4.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 1.0 108.278 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 620' ' ' LEU . . . . . 1.099 HD13 HD12 ' A' ' 640' ' ' LEU . 0.2 OUTLIER -102.51 145.55 29.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 1.0 109.301 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 621' ' ' LEU . . . . . 0.851 HD23 ' CD ' ' A' ' 610' ' ' GLU . 1.7 tp -105.42 162.89 13.06 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.489 1.118 . . . . 1.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 622' ' ' LEU . . . . . 1.098 HD13 HD21 ' A' ' 632' ' ' LEU . 0.2 OUTLIER -163.58 78.48 0.42 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.543 1.152 . . . . 1.0 109.346 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 623' ' ' LYS . . . . . 0.401 ' HD3' ' HB2' ' A' ' 608' ' ' SER . 0.0 OUTLIER -78.25 140.17 38.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.56 1.162 . . . . 1.0 109.253 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 624' ' ' ILE . . . . . 0.954 HG22 ' H ' ' A' ' 626' ' ' GLY . 82.4 mt -102.26 145.85 11.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.13 . . . . 1.0 109.315 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 625' ' ' ARG . . . . . 0.54 ' CB ' ' HG2' ' A' ' 607' ' ' GLN . 5.4 ptm180 -77.61 2.92 15.08 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.43 1.081 . . . . 1.0 110.292 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 626' ' ' GLY . . . . . 0.954 ' H ' HG22 ' A' ' 624' ' ' ILE . . . -90.22 -18.55 49.39 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.58 1.175 . . . . 1.0 111.003 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 113.12 32.97 2.06 Favored Glycine 0 CA--C 1.53 0.972 0 N-CA-C 111.079 -0.808 . . . . 1.0 111.079 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 628' ' ' LYS . . . . . 0.489 ' HB2' HD12 ' A' ' 624' ' ' ILE . 3.8 mmtt -130.51 176.01 8.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 0.76 . . . . 1.0 109.341 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -146.32 151.25 37.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 1.0 110.332 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 630' ' ' PHE . . . . . 0.497 ' CE1' ' HD3' ' A' ' 567' ' ' LYS . 0.5 OUTLIER -140.22 147.91 40.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.573 1.171 . . . . 1.0 111.052 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 631' ' ' ILE . . . . . 0.576 ' O ' HG22 ' A' ' 631' ' ' ILE . 0.0 OUTLIER -136.22 106.15 5.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.519 1.137 . . . . 1.0 109.337 179.939 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 632' ' ' LEU . . . . . 1.098 HD21 HD13 ' A' ' 622' ' ' LEU . 0.2 OUTLIER -116.66 161.8 18.64 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.531 1.144 . . . . 1.0 109.219 -179.905 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 633' ' ' GLN . . . . . 0.559 ' HG3' ' OG ' ' A' ' 566' ' ' SER . 1.7 pp0? -144.34 175.78 9.84 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.462 1.101 . . . . 1.0 110.334 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 634' ' ' CYS . . . . . 0.72 ' HB2' HD23 ' A' ' 640' ' ' LEU . 0.8 OUTLIER -155.97 157.76 36.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 1.0 108.27 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 635' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -82.29 -22.18 35.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 1.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 636' ' ' SER . . . . . 0.459 ' CB ' ' HB2' ' A' ' 639' ' ' GLU . 0.5 OUTLIER -89.81 154.38 19.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 1.0 109.942 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 637' ' ' ASP . . . . . 0.59 ' N ' ' CD ' ' A' ' 638' ' ' PRO . 0.2 OUTLIER -84.64 -47.6 0.66 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.158 . . . . 1.0 109.301 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 638' ' ' PRO . . . . . 0.59 ' CD ' ' N ' ' A' ' 637' ' ' ASP . 18.1 Cg_endo -74.99 -51.75 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.544 1.813 . . . . 1.0 110.89 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 639' ' ' GLU . . . . . 0.558 ' C ' ' O ' ' A' ' 638' ' ' PRO . 13.0 mm-40 -24.23 -81.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.089 . . . . 1.0 110.273 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 640' ' ' LEU . . . . . 1.099 HD12 HD13 ' A' ' 620' ' ' LEU . 0.1 OUTLIER -51.0 -47.07 61.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.105 . . . . 1.0 109.276 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 641' ' ' VAL . . . . . 0.597 HG12 ' N ' ' A' ' 642' ' ' GLN . 0.7 OUTLIER -45.04 -56.64 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.551 1.157 . . . . 1.0 109.353 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 642' ' ' GLN . . . . . 0.597 ' N ' HG12 ' A' ' 641' ' ' VAL . 0.6 OUTLIER -64.94 -38.4 90.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 1.0 110.336 179.894 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 643' ' ' TRP . . . . . 0.84 ' O ' HD12 ' A' ' 647' ' ' LEU . 28.6 m95 -58.01 -40.06 79.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.133 . . . . 1.0 108.03 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 644' ' ' LYS . . . . . 1.1 ' CD ' HG22 ' A' ' 609' ' ' VAL . 0.0 OUTLIER -65.44 -58.95 4.6 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.48 1.112 . . . . 1.0 109.327 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 10.8 tmtt? -41.26 -50.57 3.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 1.0 109.227 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 646' ' ' GLU . . . . . 0.688 ' CB ' HD23 ' A' ' 583' ' ' LEU . 0.3 OUTLIER -71.31 -32.86 69.12 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.474 1.109 . . . . 1.0 110.33 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 647' ' ' LEU . . . . . 0.84 HD12 ' O ' ' A' ' 643' ' ' TRP . 1.0 OUTLIER -67.76 -61.22 1.98 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 1.0 109.311 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 648' ' ' ARG . . . . . 0.455 ' N ' ' O ' ' A' ' 644' ' ' LYS . 0.1 OUTLIER -41.56 -54.98 3.03 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.515 1.134 . . . . 1.0 110.27 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 649' ' ' ASP . . . . . 0.443 ' HA ' ' HB2' ' A' ' 652' ' ' ARG . 29.0 t0 -60.6 -47.6 85.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 1.0 109.304 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 650' ' ' ALA . . . . . 0.791 ' HB1' ' SD ' ' A' ' 603' ' ' MET . . . -47.34 -55.02 9.61 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.566 1.166 . . . . 1.0 109.329 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 651' ' ' TYR . . . . . 1.22 ' CD2' HG21 ' A' ' 606' ' ' ILE . 22.2 m-30 -68.03 -28.53 67.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 1.0 110.965 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 652' ' ' ARG . . . . . 0.534 ' O ' ' N ' ' A' ' 655' ' ' GLN . 41.1 mtp180 -73.46 -68.77 0.47 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 1.0 110.244 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 653' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 649' ' ' ASP . 7.5 mt-10 -43.86 -29.81 0.6 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 1.0 110.308 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -71.81 -38.25 70.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.434 1.083 . . . . 1.0 109.311 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 655' ' ' GLN . . . . . 0.534 ' N ' ' O ' ' A' ' 652' ' ' ARG . 3.9 pt20 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.406 1.066 . . . . 1.0 110.339 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 559' ' ' CYS . . . . . . . . . . . . . 19.9 t . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 108.281 -1.007 . . . . 1.0 108.281 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 560' ' ' ILE . . . . . 0.814 HD11 ' HA ' ' A' ' 585' ' ' PRO . 29.6 mt -85.18 -62.53 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.522 1.139 . . . . 1.0 109.326 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 561' ' ' MET . . . . . 0.465 ' SD ' ' OE2' ' A' ' 646' ' ' GLU . 0.0 OUTLIER -131.0 135.73 47.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.616 1.197 . . . . 1.0 111.044 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 562' ' ' HIS . . . . . . . . . . . . . 2.0 p80 -135.98 173.77 11.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 1.0 109.575 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 563' ' ' GLY . . . . . 0.464 ' O ' ' CD1' ' A' ' 580' ' ' TYR . . . 135.93 -172.91 22.11 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.526 1.142 . . . . 1.0 111.013 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 564' ' ' TYR . . . . . 0.454 ' CE1' ' HD3' ' A' ' 578' ' ' ARG . 0.6 OUTLIER -90.09 125.32 35.38 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.507 0.769 . . . . 1.0 110.95 -179.92 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 565' ' ' MET . . . . . 0.602 ' SD ' HD22 ' A' ' 640' ' ' LEU . 0.0 OUTLIER -131.49 -163.13 1.29 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 1.0 110.939 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 566' ' ' SER . . . . . 0.439 ' OG ' ' HB3' ' A' ' 633' ' ' GLN . 0.6 OUTLIER -160.68 140.19 10.79 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.511 1.132 . . . . 1.0 109.998 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 567' ' ' LYS . . . . . 0.614 ' HD2' ' CD1' ' A' ' 630' ' ' PHE . 2.2 tmpt? . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.574 1.172 . . . . 1.0 109.279 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 578' ' ' ARG . . . . . 0.454 ' HD3' ' CE1' ' A' ' 564' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.324 -0.251 . . . . 1.0 110.324 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 579' ' ' ARG . . . . . 0.541 ' O ' ' O ' ' A' ' 565' ' ' MET . 1.5 mtt-85 -135.63 158.61 43.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 1.0 110.266 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 580' ' ' TYR . . . . . 0.464 ' CD1' ' O ' ' A' ' 563' ' ' GLY . 0.3 OUTLIER -87.08 129.71 34.8 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.521 1.138 . . . . 1.0 111.068 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 581' ' ' PHE . . . . . 0.513 ' HB3' ' CH2' ' A' ' 643' ' ' TRP . 1.7 m-85 -114.57 169.78 8.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.423 1.077 . . . . 1.0 111.101 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 582' ' ' TYR . . . . . 0.451 ' O ' ' HA ' ' A' ' 588' ' ' LEU . 8.7 m-85 -149.99 110.82 4.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 1.0 110.986 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 583' ' ' LEU . . . . . 0.823 ' HB2' ' CZ3' ' A' ' 643' ' ' TRP . 8.8 tp -88.78 111.23 21.77 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.633 1.208 . . . . 1.0 109.229 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 584' ' ' PHE . . . . . 0.504 ' CD2' ' HD2' ' A' ' 585' ' ' PRO . 0.4 OUTLIER -96.97 171.24 6.26 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 1.0 111.073 179.925 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 585' ' ' PRO . . . . . 0.814 ' HA ' HD11 ' A' ' 560' ' ' ILE . 18.0 Cg_endo -75.03 9.38 2.06 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.419 1.747 . . . . 1.0 111.04 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 586' ' ' ASN . . . . . 0.657 ' O ' ' CG ' ' A' ' 603' ' ' MET . 77.0 m-20 -169.14 -46.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 1.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 587' ' ' ARG . . . . . 0.657 ' HA ' ' HA ' ' A' ' 602' ' ' THR . 2.9 mtp180 -91.9 -171.07 2.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 1.0 110.323 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 588' ' ' LEU . . . . . 0.827 ' C ' HD12 ' A' ' 588' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.53 0 O-C-N 124.539 1.15 . . . . 1.0 109.339 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 601' ' ' LEU . . . . . 0.684 HD11 ' CD2' ' A' ' 588' ' ' LEU . 4.2 pp . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.278 -0.638 . . . . 1.0 109.278 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 602' ' ' THR . . . . . 0.657 ' HA ' ' HA ' ' A' ' 587' ' ' ARG . 0.2 OUTLIER -126.73 -151.45 0.48 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.494 1.121 . . . . 1.0 110.37 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 603' ' ' MET . . . . . 0.727 ' SD ' ' HB2' ' A' ' 654' ' ' ALA . 0.0 OUTLIER -133.16 28.72 4.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 1.0 110.991 -179.907 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -123.96 53.19 1.4 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.422 1.076 . . . . 1.0 110.343 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 605' ' ' GLU . . . . . 0.621 ' HB2' HG23 ' A' ' 624' ' ' ILE . 3.5 pt-20 -158.87 -54.18 0.06 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.659 1.225 . . . . 1.0 110.159 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 606' ' ' ILE . . . . . 1.231 HG21 ' CD2' ' A' ' 651' ' ' TYR . 1.2 mp -35.71 128.79 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.438 1.086 . . . . 1.0 109.241 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 607' ' ' GLN . . . . . 0.511 ' HG3' ' HA ' ' A' ' 625' ' ' ARG . 0.0 OUTLIER -84.39 -38.03 20.77 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 1.0 110.222 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 3.6 m -174.91 138.11 0.45 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 1.0 110.038 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 609' ' ' VAL . . . . . 0.793 HG22 ' CD ' ' A' ' 644' ' ' LYS . 5.2 p -103.96 136.71 35.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 1.0 109.246 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 610' ' ' GLU . . . . . 0.709 ' CG ' HD23 ' A' ' 621' ' ' LEU . 0.1 OUTLIER -158.86 157.46 31.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 1.0 110.266 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 611' ' ' GLU . . . . . 0.585 ' HA ' ' HA ' ' A' ' 620' ' ' LEU . 16.0 tt0 -111.34 144.73 40.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 1.0 110.296 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 612' ' ' THR . . . . . 0.69 HG23 ' HG3' ' A' ' 618' ' ' LYS . 0.0 OUTLIER -104.74 163.86 12.19 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.481 1.113 . . . . 1.0 110.467 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 58.7 mt-30 -129.44 163.68 25.32 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.577 1.173 . . . . 1.0 110.32 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 614' ' ' ILE . . . . . 0.785 HG22 ' O ' ' A' ' 614' ' ' ILE . 0.2 OUTLIER -147.86 83.86 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.376 1.048 . . . . 1.0 109.291 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 615' ' ' LYS . . . . . 0.414 ' CB ' ' O ' ' A' ' 614' ' ' ILE . 7.2 mmtm 82.26 -32.34 0.09 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.427 1.079 . . . . 1.0 109.306 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 616' ' ' GLU . . . . . 0.439 ' H ' ' C ' ' A' ' 614' ' ' ILE . 2.3 tt0 -156.56 -49.64 0.07 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.124 . . . . 1.0 110.266 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 617' ' ' ARG . . . . . 0.526 ' NH1' ' OD1' ' A' ' 637' ' ' ASP . 7.0 ttt180 -157.08 139.62 14.91 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.449 1.093 . . . . 1.0 110.312 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 618' ' ' LYS . . . . . 0.69 ' HG3' HG23 ' A' ' 612' ' ' THR . 12.7 tptt -118.48 -98.47 0.45 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 1.0 109.241 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 619' ' ' CYS . . . . . 0.47 ' O ' ' CG ' ' A' ' 611' ' ' GLU . 27.9 m -156.59 -177.2 6.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 1.0 108.236 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 620' ' ' LEU . . . . . 1.07 HD13 ' CD1' ' A' ' 640' ' ' LEU . 0.2 OUTLIER -96.38 148.43 22.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.441 1.088 . . . . 1.0 109.331 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 621' ' ' LEU . . . . . 0.709 HD23 ' CG ' ' A' ' 610' ' ' GLU . 0.1 OUTLIER -112.88 161.0 17.47 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 1.0 109.305 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 622' ' ' LEU . . . . . 1.001 ' CD1' HD11 ' A' ' 632' ' ' LEU . 9.1 mt -154.21 87.81 1.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 1.0 109.303 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 623' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.28 136.21 33.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 1.0 109.331 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 624' ' ' ILE . . . . . 0.938 HG22 ' H ' ' A' ' 626' ' ' GLY . 58.9 mt -104.4 143.81 15.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 O-C-N 124.479 1.112 . . . . 1.0 109.285 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 625' ' ' ARG . . . . . 0.511 ' HA ' ' HG3' ' A' ' 607' ' ' GLN . 0.5 OUTLIER -77.34 2.71 15.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.598 1.186 . . . . 1.0 110.38 179.937 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 626' ' ' GLY . . . . . 0.938 ' H ' HG22 ' A' ' 624' ' ' ILE . . . -90.78 -24.04 28.9 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.498 1.124 . . . . 1.0 111.024 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 118.14 45.79 0.48 Allowed Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.02 -0.832 . . . . 1.0 111.02 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 628' ' ' LYS . . . . . . . . . . . . . 1.6 mtmm -147.45 168.6 21.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 0.766 . . . . 1.0 109.274 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 58.6 mt-30 -139.16 157.46 45.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 1.0 110.311 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 630' ' ' PHE . . . . . 0.614 ' CD1' ' HD2' ' A' ' 567' ' ' LYS . 0.8 OUTLIER -142.27 148.65 38.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.572 1.17 . . . . 1.0 110.976 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 631' ' ' ILE . . . . . 0.565 ' O ' HG22 ' A' ' 631' ' ' ILE . 0.2 OUTLIER -128.83 104.54 11.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.519 1.137 . . . . 1.0 109.296 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 632' ' ' LEU . . . . . 1.001 HD11 ' CD1' ' A' ' 622' ' ' LEU . 1.1 mp -90.52 154.98 19.22 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.105 . . . . 1.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 633' ' ' GLN . . . . . 0.449 ' HB2' ' SG ' ' A' ' 619' ' ' CYS . 1.0 OUTLIER -156.34 145.73 20.71 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.4 1.062 . . . . 1.0 110.269 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 634' ' ' CYS . . . . . 0.568 ' HB2' HD23 ' A' ' 640' ' ' LEU . 0.5 OUTLIER -153.98 152.44 30.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.396 1.06 . . . . 1.0 108.299 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 635' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -76.0 -16.69 59.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 1.0 109.263 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 636' ' ' SER . . . . . 0.475 ' CB ' ' HB2' ' A' ' 639' ' ' GLU . 0.4 OUTLIER -93.27 146.22 23.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 1.0 110.013 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 637' ' ' ASP . . . . . 0.684 ' N ' ' CD ' ' A' ' 638' ' ' PRO . 5.3 m-20 -81.42 -40.9 1.06 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 1.0 109.296 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 638' ' ' PRO . . . . . 0.684 ' CD ' ' N ' ' A' ' 637' ' ' ASP . 18.7 Cg_endo -74.86 -55.34 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.446 1.761 . . . . 1.0 111.064 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 639' ' ' GLU . . . . . 0.588 ' C ' ' O ' ' A' ' 638' ' ' PRO . 6.3 tp10 -22.2 -76.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 1.0 110.233 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 640' ' ' LEU . . . . . 1.07 ' CD1' HD13 ' A' ' 620' ' ' LEU . 0.1 OUTLIER -52.86 -52.48 57.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.553 1.158 . . . . 1.0 109.269 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 641' ' ' VAL . . . . . 0.585 HG12 ' N ' ' A' ' 642' ' ' GLN . 0.6 OUTLIER -42.66 -55.6 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 1.0 109.25 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 642' ' ' GLN . . . . . 0.585 ' N ' HG12 ' A' ' 641' ' ' VAL . 0.0 OUTLIER -65.62 -38.58 89.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.438 1.086 . . . . 1.0 110.297 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 643' ' ' TRP . . . . . 0.823 ' CZ3' ' HB2' ' A' ' 583' ' ' LEU . 16.8 m95 -56.86 -46.61 81.69 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.569 1.168 . . . . 1.0 108.019 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 644' ' ' LYS . . . . . 0.882 ' HE2' HD11 ' A' ' 620' ' ' LEU . 1.8 ttpt -58.26 -56.65 19.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.594 1.184 . . . . 1.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 6.8 tmtm? -40.99 -51.22 3.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 1.0 109.297 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 646' ' ' GLU . . . . . 0.6 ' CB ' HD23 ' A' ' 583' ' ' LEU . 0.3 OUTLIER -72.82 -32.31 65.43 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.514 1.133 . . . . 1.0 110.226 -179.94 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 647' ' ' LEU . . . . . 0.618 ' HG ' HD21 ' A' ' 583' ' ' LEU . 0.5 OUTLIER -69.13 -62.73 1.26 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 1.0 109.286 -179.943 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 648' ' ' ARG . . . . . 0.57 ' HG3' ' CG1' ' A' ' 609' ' ' VAL . 1.4 ttt180 -41.49 -50.6 3.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.436 1.085 . . . . 1.0 110.265 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 649' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -61.98 -53.39 56.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 1.0 109.31 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 650' ' ' ALA . . . . . 0.538 ' O ' ' SD ' ' A' ' 603' ' ' MET . . . -41.57 -53.02 3.61 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.588 1.18 . . . . 1.0 109.391 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 651' ' ' TYR . . . . . 1.231 ' CD2' HG21 ' A' ' 606' ' ' ILE . 10.2 m-30 -69.85 -43.35 72.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 1.0 111.025 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 652' ' ' ARG . . . . . 0.5 ' O ' ' HB2' ' A' ' 655' ' ' GLN . 11.4 mmm180 -58.02 -64.82 0.78 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 1.0 110.282 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 653' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.91 -53.41 2.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.436 1.085 . . . . 1.0 110.281 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 654' ' ' ALA . . . . . 0.727 ' HB2' ' SD ' ' A' ' 603' ' ' MET . . . -47.34 -38.68 13.35 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.487 1.117 . . . . 1.0 109.333 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 655' ' ' GLN . . . . . 0.5 ' HB2' ' O ' ' A' ' 652' ' ' ARG . 64.5 mt-30 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 1.0 110.323 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 559' ' ' CYS . . . . . . . . . . . . . 45.1 t . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 108.345 -0.983 . . . . 1.0 108.345 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 560' ' ' ILE . . . . . 0.678 HD11 ' HA ' ' A' ' 585' ' ' PRO . 34.1 mt -97.59 -57.52 4.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 1.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 561' ' ' MET . . . . . 0.679 ' HE1' ' OE1' ' A' ' 642' ' ' GLN . 0.0 OUTLIER -145.54 149.93 35.49 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.554 1.159 . . . . 1.0 111.015 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 562' ' ' HIS . . . . . . . . . . . . . 1.5 p80 -144.72 148.7 34.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 1.0 109.607 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 563' ' ' GLY . . . . . . . . . . . . . . . 170.06 -168.57 41.51 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.487 1.117 . . . . 1.0 110.995 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 564' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -97.1 125.53 41.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 0.745 . . . . 1.0 110.992 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 565' ' ' MET . . . . . 0.627 ' SD ' ' CD2' ' A' ' 640' ' ' LEU . 1.3 mtm -130.55 -176.64 4.04 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.442 1.089 . . . . 1.0 111.015 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 566' ' ' SER . . . . . 0.472 ' O ' ' N ' ' A' ' 633' ' ' GLN . 0.6 OUTLIER -154.9 101.83 2.3 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.532 1.145 . . . . 1.0 110.002 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 567' ' ' LYS . . . . . 0.568 ' HG2' ' O ' ' A' ' 631' ' ' ILE . 5.9 tmmm? . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.558 1.161 . . . . 1.0 109.244 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 578' ' ' ARG . . . . . 0.412 ' C ' ' HG2' ' A' ' 579' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.201 -0.296 . . . . 1.0 110.201 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 579' ' ' ARG . . . . . 0.5 ' O ' ' O ' ' A' ' 565' ' ' MET . 1.1 mmm180 -136.44 164.97 26.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 1.0 110.281 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 580' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -88.3 127.43 35.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.143 . . . . 1.0 110.963 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 581' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -113.44 165.31 12.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 1.0 111.039 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 582' ' ' TYR . . . . . 0.488 ' O ' ' HA ' ' A' ' 588' ' ' LEU . 0.6 OUTLIER -144.1 116.62 8.61 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.51 1.131 . . . . 1.0 111.018 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 583' ' ' LEU . . . . . 0.837 ' HB2' ' CZ3' ' A' ' 643' ' ' TRP . 6.8 tp -91.59 114.14 26.59 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.475 1.11 . . . . 1.0 109.268 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 584' ' ' PHE . . . . . 0.526 ' CD2' ' HD2' ' A' ' 585' ' ' PRO . 0.3 OUTLIER -106.49 168.21 8.47 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 1.0 111.077 179.936 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 585' ' ' PRO . . . . . 0.678 ' HA ' HD11 ' A' ' 560' ' ' ILE . 18.1 Cg_endo -75.02 22.78 0.41 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.553 1.818 . . . . 1.0 111.017 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 586' ' ' ASN . . . . . 0.798 ' O ' HG22 ' A' ' 602' ' ' THR . 0.4 OUTLIER 174.55 -46.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 1.0 109.303 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 587' ' ' ARG . . . . . 0.543 ' HA ' ' HA ' ' A' ' 602' ' ' THR . 0.0 OUTLIER -90.82 -174.06 3.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 1.0 110.286 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 588' ' ' LEU . . . . . 0.488 ' HA ' ' O ' ' A' ' 582' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 1.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 601' ' ' LEU . . . . . 0.481 ' O ' ' N ' ' A' ' 588' ' ' LEU . 6.8 tp . . . . . 0 N--CA 1.454 -0.239 0 N-CA-C 109.301 -0.629 . . . . 1.0 109.301 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 602' ' ' THR . . . . . 0.798 HG22 ' O ' ' A' ' 586' ' ' ASN . 0.2 OUTLIER -95.18 -165.95 1.38 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.423 1.077 . . . . 1.0 110.339 -179.9 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 603' ' ' MET . . . . . 0.682 ' CG ' ' HA ' ' A' ' 586' ' ' ASN . 0.1 OUTLIER -128.23 33.95 4.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.408 1.068 . . . . 1.0 111.003 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 604' ' ' GLU . . . . . 0.429 ' HB3' ' HB1' ' A' ' 654' ' ' ALA . 8.8 pt-20 -124.65 58.1 1.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 1.0 110.328 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 605' ' ' GLU . . . . . 0.502 ' O ' ' C ' ' A' ' 606' ' ' ILE . 2.7 pt-20 -158.9 -51.75 0.06 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.62 1.2 . . . . 1.0 110.272 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 606' ' ' ILE . . . . . 1.355 HG21 ' CD2' ' A' ' 651' ' ' TYR . 0.9 OUTLIER -32.74 137.4 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.527 1.142 . . . . 1.0 109.257 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 607' ' ' GLN . . . . . 0.577 ' HG3' ' HA ' ' A' ' 625' ' ' ARG . 0.0 OUTLIER -92.28 -37.38 12.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 1.0 110.363 179.937 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 608' ' ' SER . . . . . 0.403 ' HB2' ' HD3' ' A' ' 623' ' ' LYS . 1.1 m -173.97 133.06 0.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 1.0 109.956 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 609' ' ' VAL . . . . . 0.946 HG22 ' CD ' ' A' ' 644' ' ' LYS . 3.2 p -104.65 141.01 21.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 1.0 109.329 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 610' ' ' GLU . . . . . 0.89 ' CD ' HD23 ' A' ' 621' ' ' LEU . 0.5 OUTLIER -159.9 -170.83 3.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 1.0 110.246 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 611' ' ' GLU . . . . . 0.657 ' HA ' ' HA ' ' A' ' 620' ' ' LEU . 24.2 tt0 -141.19 145.04 35.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 1.0 110.323 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 612' ' ' THR . . . . . 0.913 HG23 ' HG3' ' A' ' 618' ' ' LYS . 0.0 OUTLIER -108.77 167.23 10.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 1.0 110.452 179.932 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 13.1 mp0 -132.06 158.57 41.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 1.0 110.285 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 614' ' ' ILE . . . . . 0.801 HG22 ' O ' ' A' ' 614' ' ' ILE . 0.2 OUTLIER -142.96 84.56 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 1.0 109.355 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 615' ' ' LYS . . . . . 0.424 ' HB2' ' O ' ' A' ' 614' ' ' ILE . 4.6 mmtm 82.39 -34.59 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 1.0 109.326 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 616' ' ' GLU . . . . . 0.433 ' H ' ' C ' ' A' ' 614' ' ' ILE . 3.2 tt0 -156.33 -47.47 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 1.0 110.336 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 4.7 ttm180 -154.7 138.09 15.85 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 1.0 110.244 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 618' ' ' LYS . . . . . 0.913 ' HG3' HG23 ' A' ' 612' ' ' THR . 6.9 tptt -118.15 -97.97 0.46 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 1.0 109.225 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 619' ' ' CYS . . . . . 0.494 ' O ' ' CG ' ' A' ' 611' ' ' GLU . 25.7 m -157.75 -175.88 5.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 1.0 108.344 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 620' ' ' LEU . . . . . 1.059 ' CD1' HD12 ' A' ' 640' ' ' LEU . 0.2 OUTLIER -100.05 137.1 38.96 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.575 1.172 . . . . 1.0 109.315 179.942 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 621' ' ' LEU . . . . . 0.89 HD23 ' CD ' ' A' ' 610' ' ' GLU . 3.0 tp -92.44 159.61 15.46 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.566 1.166 . . . . 1.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 622' ' ' LEU . . . . . 1.042 HD12 HD11 ' A' ' 632' ' ' LEU . 1.0 OUTLIER -157.53 87.87 0.97 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.527 1.142 . . . . 1.0 109.331 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 623' ' ' LYS . . . . . 0.403 ' HD3' ' HB2' ' A' ' 608' ' ' SER . 0.0 OUTLIER -91.79 137.64 32.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.446 1.091 . . . . 1.0 109.229 -179.904 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 624' ' ' ILE . . . . . 0.965 HG22 ' H ' ' A' ' 626' ' ' GLY . 64.7 mt -106.32 143.79 16.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 1.0 109.413 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 625' ' ' ARG . . . . . 0.577 ' HA ' ' HG3' ' A' ' 607' ' ' GLN . 2.9 ptm180 -79.21 3.32 18.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.568 1.168 . . . . 1.0 110.243 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 626' ' ' GLY . . . . . 0.965 ' H ' HG22 ' A' ' 624' ' ' ILE . . . -89.78 -22.38 36.57 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.525 1.141 . . . . 1.0 111.063 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 116.99 43.75 0.6 Allowed Glycine 0 CA--C 1.53 0.974 0 N-CA-C 110.941 -0.864 . . . . 1.0 110.941 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 628' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -145.3 168.46 20.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 0.779 . . . . 1.0 109.191 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 8.5 mp0 -146.38 141.0 26.77 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.574 1.171 . . . . 1.0 110.321 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 630' ' ' PHE . . . . . 0.521 ' CD1' ' HD3' ' A' ' 567' ' ' LYS . 1.7 m-85 -134.54 162.81 31.24 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.474 1.109 . . . . 1.0 110.942 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 631' ' ' ILE . . . . . 0.568 ' O ' ' HG2' ' A' ' 567' ' ' LYS . 0.2 OUTLIER -138.67 113.05 7.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.099 . . . . 1.0 109.282 -179.94 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 632' ' ' LEU . . . . . 1.042 HD11 HD12 ' A' ' 622' ' ' LEU . 1.5 mp -86.04 157.54 20.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 1.0 109.344 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 633' ' ' GLN . . . . . 0.472 ' N ' ' O ' ' A' ' 566' ' ' SER . 7.2 tp60 -155.82 140.4 16.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 1.0 110.308 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 634' ' ' CYS . . . . . 0.406 ' HB2' HD23 ' A' ' 640' ' ' LEU . 0.5 OUTLIER -153.43 159.99 42.49 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.595 1.184 . . . . 1.0 108.361 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 635' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -83.61 -17.94 39.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.54 1.15 . . . . 1.0 109.314 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 636' ' ' SER . . . . . 0.598 ' HB2' ' CG ' ' A' ' 639' ' ' GLU . 7.4 m -91.24 150.93 21.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.42 1.075 . . . . 1.0 109.928 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 637' ' ' ASP . . . . . 0.677 ' N ' ' CD ' ' A' ' 638' ' ' PRO . 0.2 OUTLIER -87.19 -41.87 0.53 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.401 1.063 . . . . 1.0 109.317 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 638' ' ' PRO . . . . . 0.677 ' CD ' ' N ' ' A' ' 637' ' ' ASP . 18.0 Cg_endo -75.03 -58.94 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.222 0 O-C-N 124.537 1.809 . . . . 1.0 110.936 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 639' ' ' GLU . . . . . 0.606 ' C ' ' O ' ' A' ' 638' ' ' PRO . 10.3 mm-40 -20.92 -78.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.089 . . . . 1.0 110.291 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 640' ' ' LEU . . . . . 1.059 HD12 ' CD1' ' A' ' 620' ' ' LEU . 0.1 OUTLIER -51.04 -54.04 28.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.556 1.16 . . . . 1.0 109.236 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 641' ' ' VAL . . . . . 0.619 HG12 ' N ' ' A' ' 642' ' ' GLN . 0.9 OUTLIER -41.48 -57.75 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 1.0 109.298 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 642' ' ' GLN . . . . . 0.679 ' OE1' ' HE1' ' A' ' 561' ' ' MET . 21.9 mt-30 -61.02 -40.5 93.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 1.0 110.347 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 643' ' ' TRP . . . . . 0.837 ' CZ3' ' HB2' ' A' ' 583' ' ' LEU . 12.7 m95 -52.84 -49.89 64.83 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.024 -1.102 . . . . 1.0 108.024 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 644' ' ' LYS . . . . . 0.946 ' CD ' HG22 ' A' ' 609' ' ' VAL . 0.5 OUTLIER -53.12 -57.48 10.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 1.0 109.349 179.953 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 9.9 tmtt? -40.1 -54.97 2.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.158 . . . . 1.0 109.173 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 646' ' ' GLU . . . . . 0.602 ' HG2' HG22 ' A' ' 560' ' ' ILE . 0.6 OUTLIER -69.76 -30.26 67.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 1.0 110.283 -179.918 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 647' ' ' LEU . . . . . 0.934 HD22 ' CZ ' ' A' ' 651' ' ' TYR . 2.4 mt -71.14 -62.76 1.28 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.485 1.116 . . . . 1.0 109.239 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 648' ' ' ARG . . . . . 0.553 ' N ' ' O ' ' A' ' 644' ' ' LYS . 2.0 ttp180 -37.73 -54.4 1.22 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.523 1.14 . . . . 1.0 110.287 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 649' ' ' ASP . . . . . 0.409 ' O ' ' N ' ' A' ' 653' ' ' GLU . 0.4 OUTLIER -61.57 -43.11 99.47 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.523 1.139 . . . . 1.0 109.368 179.937 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 650' ' ' ALA . . . . . 0.49 ' HB1' ' SD ' ' A' ' 603' ' ' MET . . . -51.23 -47.91 62.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 1.0 109.266 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 651' ' ' TYR . . . . . 1.355 ' CD2' HG21 ' A' ' 606' ' ' ILE . 13.9 m-30 -75.41 -39.42 59.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.424 1.078 . . . . 1.0 110.949 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 652' ' ' ARG . . . . . 0.495 ' O ' ' HB2' ' A' ' 655' ' ' GLN . 36.5 mtp85 -63.22 -63.02 1.31 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.449 1.093 . . . . 1.0 110.289 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 653' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 649' ' ' ASP . 0.8 OUTLIER -45.48 -53.33 9.01 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.401 1.063 . . . . 1.0 110.317 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 654' ' ' ALA . . . . . 0.429 ' HB1' ' HB3' ' A' ' 604' ' ' GLU . . . -48.6 -36.39 15.62 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.546 1.153 . . . . 1.0 109.318 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 655' ' ' GLN . . . . . 0.495 ' HB2' ' O ' ' A' ' 652' ' ' ARG . 62.7 mt-30 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 1.0 110.31 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 559' ' ' CYS . . . . . 0.523 ' HG ' ' HD1' ' A' ' 584' ' ' PHE . 3.2 t . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 108.309 -0.997 . . . . 1.0 108.309 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 560' ' ' ILE . . . . . 0.69 ' HB ' ' CD2' ' A' ' 583' ' ' LEU . 3.9 mt -90.41 -57.0 4.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 1.0 109.253 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 561' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.13 146.1 30.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 1.0 111.047 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 562' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -148.7 152.16 36.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 1.0 109.589 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 563' ' ' GLY . . . . . . . . . . . . . . . 157.08 -158.9 29.23 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.485 1.116 . . . . 1.0 110.996 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 564' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -88.15 126.92 35.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 0.752 . . . . 1.0 110.992 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 565' ' ' MET . . . . . 0.643 ' O ' ' O ' ' A' ' 579' ' ' ARG . 0.0 OUTLIER -144.47 134.29 23.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 1.0 111.004 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 566' ' ' SER . . . . . 0.517 ' O ' ' N ' ' A' ' 633' ' ' GLN . 0.2 OUTLIER -101.97 114.04 27.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.115 . . . . 1.0 110.044 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 567' ' ' LYS . . . . . 0.586 ' HB2' HD23 ' A' ' 632' ' ' LEU . 7.7 tttt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 1.0 109.27 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 578' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.256 -0.275 . . . . 1.0 110.256 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 579' ' ' ARG . . . . . 0.643 ' O ' ' O ' ' A' ' 565' ' ' MET . 48.4 mtp180 -142.77 162.71 34.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 1.0 110.305 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 580' ' ' TYR . . . . . 0.41 ' CD1' ' HE1' ' A' ' 582' ' ' TYR . 0.2 OUTLIER -88.73 119.71 29.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.452 1.095 . . . . 1.0 111.027 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 581' ' ' PHE . . . . . 0.455 ' CD2' HD11 ' A' ' 588' ' ' LEU . 4.7 m-85 -119.12 155.79 30.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 1.0 111.054 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 582' ' ' TYR . . . . . 0.458 ' O ' ' HA ' ' A' ' 588' ' ' LEU . 7.2 m-85 -136.05 117.89 15.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 1.0 111.037 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 583' ' ' LEU . . . . . 0.861 HD12 ' HG ' ' A' ' 647' ' ' LEU . 6.5 tt -89.05 119.68 29.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 1.0 109.271 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 584' ' ' PHE . . . . . 0.633 ' CD2' ' HD2' ' A' ' 585' ' ' PRO . 0.2 OUTLIER -110.6 -176.74 0.41 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.402 1.064 . . . . 1.0 110.989 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 585' ' ' PRO . . . . . 0.633 ' HD2' ' CD2' ' A' ' 584' ' ' PHE . 18.2 Cg_endo -75.07 7.99 2.64 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.542 1.811 . . . . 1.0 110.98 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 586' ' ' ASN . . . . . 0.681 ' HA ' ' CG ' ' A' ' 603' ' ' MET . 7.3 p-10 173.73 -33.07 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.145 . . . . 1.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 587' ' ' ARG . . . . . 0.762 ' O ' ' HE1' ' A' ' 603' ' ' MET . 14.9 mtp180 -89.71 173.79 8.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 1.0 110.311 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 588' ' ' LEU . . . . . 0.513 ' CB ' ' HE1' ' A' ' 603' ' ' MET . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.43 1.082 . . . . 1.0 109.304 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 601' ' ' LEU . . . . . 0.507 ' N ' ' O ' ' A' ' 588' ' ' LEU . 2.3 mm? . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.3 -0.629 . . . . 1.0 109.3 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 602' ' ' THR . . . . . 0.599 HG22 ' O ' ' A' ' 586' ' ' ASN . 0.0 OUTLIER -127.55 -177.22 4.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 1.0 110.377 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 603' ' ' MET . . . . . 0.762 ' HE1' ' O ' ' A' ' 587' ' ' ARG . 0.0 OUTLIER -127.0 44.47 2.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 1.0 110.932 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 604' ' ' GLU . . . . . 0.418 ' O ' ' HG3' ' A' ' 604' ' ' GLU . 17.2 pt-20 -127.14 44.65 2.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 1.0 110.227 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 605' ' ' GLU . . . . . 0.567 ' O ' ' C ' ' A' ' 606' ' ' ILE . 2.8 pt-20 -157.67 -51.16 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 1.0 110.359 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 606' ' ' ILE . . . . . 1.265 HG21 ' CD2' ' A' ' 651' ' ' TYR . 0.9 OUTLIER -25.88 133.22 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.524 1.14 . . . . 1.0 109.285 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 607' ' ' GLN . . . . . 0.557 ' HG3' ' HA ' ' A' ' 625' ' ' ARG . 0.1 OUTLIER -85.81 -38.37 18.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 1.0 110.355 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 608' ' ' SER . . . . . 0.439 ' HB2' ' HD3' ' A' ' 623' ' ' LYS . 5.2 m -175.06 133.93 0.33 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 1.0 110.044 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 609' ' ' VAL . . . . . 1.026 HG22 ' CD ' ' A' ' 644' ' ' LYS . 3.0 p -107.64 139.35 29.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.564 1.165 . . . . 1.0 109.279 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 610' ' ' GLU . . . . . 0.891 ' HG3' HD23 ' A' ' 621' ' ' LEU . 1.0 OUTLIER -159.09 -167.74 2.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 1.0 110.278 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 611' ' ' GLU . . . . . 0.686 ' HA ' ' HA ' ' A' ' 620' ' ' LEU . 24.8 tt0 -138.27 147.3 43.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 1.0 110.347 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 612' ' ' THR . . . . . 0.645 HG23 ' HG3' ' A' ' 618' ' ' LYS . 0.0 OUTLIER -109.87 161.39 15.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.436 1.085 . . . . 1.0 110.461 179.937 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 63.2 mt-30 -125.63 163.31 23.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 1.0 110.264 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 614' ' ' ILE . . . . . 0.793 HG22 ' O ' ' A' ' 614' ' ' ILE . 0.1 OUTLIER -149.14 82.38 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.125 . . . . 1.0 109.303 179.912 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 615' ' ' LYS . . . . . 0.432 ' HB2' ' O ' ' A' ' 614' ' ' ILE . 9.0 mmtt 82.12 -31.49 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 1.0 109.275 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 616' ' ' GLU . . . . . 0.438 ' H ' ' C ' ' A' ' 614' ' ' ILE . 0.9 OUTLIER -157.13 -49.77 0.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.439 1.087 . . . . 1.0 110.374 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 7.1 ttt85 -157.96 141.58 15.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 1.0 110.328 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 618' ' ' LYS . . . . . 0.645 ' HG3' HG23 ' A' ' 612' ' ' THR . 8.8 tptt -120.81 -97.68 0.46 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.431 1.082 . . . . 1.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 619' ' ' CYS . . . . . 0.468 ' O ' ' CG ' ' A' ' 611' ' ' GLU . 2.2 m -157.41 -177.24 6.45 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.448 1.093 . . . . 1.0 108.306 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 620' ' ' LEU . . . . . 1.039 HD13 HD12 ' A' ' 640' ' ' LEU . 0.1 OUTLIER -96.94 140.44 31.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.577 1.173 . . . . 1.0 109.222 -179.942 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 621' ' ' LEU . . . . . 0.891 HD23 ' HG3' ' A' ' 610' ' ' GLU . 0.7 OUTLIER -97.85 161.17 13.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 1.0 109.282 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 622' ' ' LEU . . . . . 0.922 HD12 HD11 ' A' ' 632' ' ' LEU . 0.7 OUTLIER -157.3 91.39 1.17 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.479 1.112 . . . . 1.0 109.315 -179.94 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 623' ' ' LYS . . . . . 0.439 ' HD3' ' HB2' ' A' ' 608' ' ' SER . 0.0 OUTLIER -95.07 136.34 35.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 1.0 109.195 -179.915 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 624' ' ' ILE . . . . . 0.964 HG22 ' H ' ' A' ' 626' ' ' GLY . 58.6 mt -102.19 143.62 14.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 124.538 1.149 . . . . 1.0 109.356 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 625' ' ' ARG . . . . . 0.557 ' HA ' ' HG3' ' A' ' 607' ' ' GLN . 5.3 ptm180 -79.26 3.2 18.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.436 1.085 . . . . 1.0 110.253 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 626' ' ' GLY . . . . . 0.964 ' H ' HG22 ' A' ' 624' ' ' ILE . . . -88.52 -24.91 32.0 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.47 1.106 . . . . 1.0 111.007 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 119.57 42.64 0.53 Allowed Glycine 0 CA--C 1.53 0.978 0 N-CA-C 111.063 -0.815 . . . . 1.0 111.063 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 628' ' ' LYS . . . . . . . . . . . . . 4.6 mtmm -143.0 170.92 14.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.392 0.701 . . . . 1.0 109.335 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -144.06 136.99 27.27 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.515 1.134 . . . . 1.0 110.314 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 630' ' ' PHE . . . . . 0.575 ' CD1' ' HE2' ' A' ' 567' ' ' LYS . 1.5 m-85 -130.72 155.18 47.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.454 1.096 . . . . 1.0 110.998 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 631' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -130.26 123.16 55.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 1.0 109.393 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 632' ' ' LEU . . . . . 0.922 HD11 HD12 ' A' ' 622' ' ' LEU . 0.7 OUTLIER -97.19 156.21 16.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 1.0 109.32 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 633' ' ' GLN . . . . . 0.517 ' N ' ' O ' ' A' ' 566' ' ' SER . 1.0 OUTLIER -157.62 125.1 5.21 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.585 1.178 . . . . 1.0 110.292 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 634' ' ' CYS . . . . . 0.713 ' HB2' HD23 ' A' ' 640' ' ' LEU . 0.0 OUTLIER -139.84 154.24 47.27 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 1.0 108.373 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 635' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -79.56 -21.02 45.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.101 . . . . 1.0 109.357 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 636' ' ' SER . . . . . 0.467 ' CB ' ' HB2' ' A' ' 639' ' ' GLU . 0.4 OUTLIER -86.37 148.7 25.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 1.0 109.95 -179.903 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 637' ' ' ASP . . . . . 0.642 ' N ' ' CD ' ' A' ' 638' ' ' PRO . 0.3 OUTLIER -84.6 -44.23 0.71 Allowed Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.559 1.162 . . . . 1.0 109.259 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 638' ' ' PRO . . . . . 0.642 ' CD ' ' N ' ' A' ' 637' ' ' ASP . 18.2 Cg_endo -75.04 -52.88 0.1 Allowed 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.561 1.822 . . . . 1.0 110.935 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 639' ' ' GLU . . . . . 0.557 ' C ' ' O ' ' A' ' 638' ' ' PRO . 11.9 mm-40 -24.89 -81.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.397 1.06 . . . . 1.0 110.277 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 640' ' ' LEU . . . . . 1.039 HD12 HD13 ' A' ' 620' ' ' LEU . 0.1 OUTLIER -48.91 -46.78 43.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 1.0 109.285 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 641' ' ' VAL . . . . . 0.603 HG12 ' N ' ' A' ' 642' ' ' GLN . 0.7 OUTLIER -45.01 -56.93 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 1.0 109.287 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 642' ' ' GLN . . . . . 0.603 ' N ' HG12 ' A' ' 641' ' ' VAL . 0.2 OUTLIER -64.05 -42.49 97.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.544 1.153 . . . . 1.0 110.325 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 643' ' ' TRP . . . . . 0.681 ' CZ3' ' HB2' ' A' ' 583' ' ' LEU . 33.9 m95 -52.85 -40.77 63.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 1.0 108.013 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 644' ' ' LYS . . . . . 1.026 ' CD ' HG22 ' A' ' 609' ' ' VAL . 0.0 OUTLIER -64.32 -61.48 2.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.56 1.163 . . . . 1.0 109.346 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 645' ' ' LYS . . . . . 0.459 ' CD ' ' OE1' ' A' ' 646' ' ' GLU . 2.6 tmtm? -39.47 -54.11 1.97 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.411 1.07 . . . . 1.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 646' ' ' GLU . . . . . 0.586 ' HG2' HG22 ' A' ' 560' ' ' ILE . 0.2 OUTLIER -69.29 -32.16 71.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 1.0 110.347 179.937 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 647' ' ' LEU . . . . . 0.861 ' HG ' HD12 ' A' ' 583' ' ' LEU . 12.0 mt -68.03 -59.97 2.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 1.0 109.328 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 648' ' ' ARG . . . . . 0.497 ' N ' ' O ' ' A' ' 644' ' ' LYS . 1.7 ttm105 -40.72 -52.54 2.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 1.0 110.275 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 649' ' ' ASP . . . . . 0.431 ' O ' ' N ' ' A' ' 653' ' ' GLU . 0.4 OUTLIER -63.98 -43.54 95.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.577 1.173 . . . . 1.0 109.248 -179.94 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 650' ' ' ALA . . . . . 0.604 ' HB1' ' CG ' ' A' ' 603' ' ' MET . . . -50.76 -45.11 58.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 1.0 109.354 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 651' ' ' TYR . . . . . 1.265 ' CD2' HG21 ' A' ' 606' ' ' ILE . 18.8 m-30 -78.03 -39.9 40.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 1.0 111.021 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 652' ' ' ARG . . . . . 0.485 ' O ' ' HB2' ' A' ' 655' ' ' GLN . 48.8 mtp85 -64.1 -62.47 1.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 1.0 110.327 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 653' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 649' ' ' ASP . 0.0 OUTLIER -49.91 -55.78 13.11 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.473 1.108 . . . . 1.0 110.334 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -45.87 -34.86 4.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 1.0 109.293 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 655' ' ' GLN . . . . . 0.485 ' HB2' ' O ' ' A' ' 652' ' ' ARG . 64.5 mt-30 . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 1.0 110.256 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 559' ' ' CYS . . . . . 0.576 ' SG ' ' CD2' ' A' ' 562' ' ' HIS . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.366 0 N-CA-C 108.266 -1.013 . . . . 1.0 108.266 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 560' ' ' ILE . . . . . 0.798 HD11 ' HA ' ' A' ' 585' ' ' PRO . 26.5 mt -76.38 -56.95 6.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.552 1.157 . . . . 1.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 561' ' ' MET . . . . . 0.434 ' CE ' ' OE1' ' A' ' 642' ' ' GLN . 0.0 OUTLIER -147.64 157.83 43.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.151 . . . . 1.0 111.0 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 562' ' ' HIS . . . . . 0.576 ' CD2' ' SG ' ' A' ' 559' ' ' CYS . 0.1 OUTLIER -158.89 154.3 25.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 1.0 109.574 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 563' ' ' GLY . . . . . . . . . . . . . . . 169.77 -162.87 36.35 Favored Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.414 1.071 . . . . 1.0 111.051 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 564' ' ' TYR . . . . . 0.45 ' HE1' ' CA ' ' A' ' 579' ' ' ARG . 0.4 OUTLIER -108.42 120.2 41.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 0.777 . . . . 1.0 111.007 179.909 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 565' ' ' MET . . . . . 0.629 ' SD ' ' CE2' ' A' ' 643' ' ' TRP . 1.6 ptm -152.6 154.55 35.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 1.0 111.055 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 566' ' ' SER . . . . . 0.464 ' HG ' ' HG3' ' A' ' 633' ' ' GLN . 0.1 OUTLIER -116.92 172.23 7.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 1.0 109.986 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 567' ' ' LYS . . . . . 0.523 ' CB ' ' HA ' ' A' ' 632' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 1.0 109.276 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 578' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.236 0 N-CA-C 110.306 -0.257 . . . . 1.0 110.306 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 579' ' ' ARG . . . . . 0.522 ' O ' ' O ' ' A' ' 565' ' ' MET . 0.4 OUTLIER -125.97 163.96 21.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.577 1.173 . . . . 1.0 110.272 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 580' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -89.22 128.15 35.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 1.0 111.001 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 581' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -118.77 159.91 22.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.44 1.087 . . . . 1.0 110.98 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 582' ' ' TYR . . . . . 0.563 ' O ' ' HA ' ' A' ' 588' ' ' LEU . 52.9 m-85 -138.79 121.25 16.11 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.43 1.081 . . . . 1.0 110.967 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 583' ' ' LEU . . . . . 0.7 ' HB2' ' CZ3' ' A' ' 643' ' ' TRP . 6.8 tp -92.41 115.13 27.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 1.0 109.348 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 584' ' ' PHE . . . . . 0.551 ' HB2' ' C ' ' A' ' 587' ' ' ARG . 5.9 m-85 -106.13 174.25 2.71 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 1.0 111.015 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 585' ' ' PRO . . . . . 0.798 ' HA ' HD11 ' A' ' 560' ' ' ILE . 18.6 Cg_endo -74.97 0.42 8.91 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.498 1.789 . . . . 1.0 111.02 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 586' ' ' ASN . . . . . 0.773 ' O ' HG22 ' A' ' 602' ' ' THR . 5.7 m120 -165.12 -41.56 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.428 1.08 . . . . 1.0 109.314 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 587' ' ' ARG . . . . . 0.551 ' C ' ' HB2' ' A' ' 584' ' ' PHE . 2.9 mtp180 -88.51 -168.78 2.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 1.0 110.335 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 588' ' ' LEU . . . . . 0.623 ' C ' HD12 ' A' ' 588' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 1.0 109.379 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 601' ' ' LEU . . . . . 0.484 ' CD2' ' OE2' ' A' ' 605' ' ' GLU . 3.3 tp . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.31 -0.626 . . . . 1.0 109.31 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 602' ' ' THR . . . . . 0.773 HG22 ' O ' ' A' ' 586' ' ' ASN . 0.0 OUTLIER -109.92 -163.46 0.86 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 1.0 110.365 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 603' ' ' MET . . . . . 0.722 ' HE1' ' O ' ' A' ' 585' ' ' PRO . 0.0 OUTLIER -129.4 36.38 4.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 1.0 111.055 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -124.91 56.91 1.3 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.509 1.13 . . . . 1.0 110.289 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 605' ' ' GLU . . . . . 0.495 ' O ' ' C ' ' A' ' 606' ' ' ILE . 3.4 pt-20 -159.27 -53.71 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 1.0 110.34 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 606' ' ' ILE . . . . . 1.273 HG21 ' CD2' ' A' ' 651' ' ' TYR . 0.9 OUTLIER -33.05 136.43 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 1.0 109.296 179.925 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 607' ' ' GLN . . . . . 0.551 ' HG2' ' CB ' ' A' ' 625' ' ' ARG . 0.0 OUTLIER -87.7 -41.45 13.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 1.0 110.312 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 608' ' ' SER . . . . . 0.468 ' OG ' ' O ' ' A' ' 607' ' ' GLN . 6.8 m -171.68 135.72 0.9 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 1.0 110.02 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 609' ' ' VAL . . . . . 0.955 HG22 ' CD ' ' A' ' 644' ' ' LYS . 2.7 p -107.64 139.32 29.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 O-C-N 124.528 1.142 . . . . 1.0 109.306 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 610' ' ' GLU . . . . . 0.827 ' HG3' HD23 ' A' ' 621' ' ' LEU . 0.2 OUTLIER -158.96 -166.69 1.91 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.371 1.045 . . . . 1.0 110.303 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 611' ' ' GLU . . . . . 0.607 ' HA ' ' HA ' ' A' ' 620' ' ' LEU . 24.9 tt0 -140.44 148.36 41.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 1.0 110.306 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 612' ' ' THR . . . . . 0.818 HG23 ' HG3' ' A' ' 618' ' ' LYS . 0.0 OUTLIER -114.01 164.26 14.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 1.0 110.368 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 7.4 mp0 -128.97 161.67 29.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 1.0 110.248 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 614' ' ' ILE . . . . . 0.795 HG22 ' O ' ' A' ' 614' ' ' ILE . 0.2 OUTLIER -146.63 84.0 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.56 1.163 . . . . 1.0 109.335 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 615' ' ' LYS . . . . . 0.426 ' HB3' ' O ' ' A' ' 614' ' ' ILE . 20.2 ttpt 82.22 -33.89 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 1.0 109.376 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 616' ' ' GLU . . . . . 0.437 ' H ' ' C ' ' A' ' 614' ' ' ILE . 3.1 tt0 -157.09 -46.95 0.07 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.448 1.092 . . . . 1.0 110.299 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 617' ' ' ARG . . . . . 0.518 ' CZ ' ' OD1' ' A' ' 637' ' ' ASP . 1.7 ttm180 -156.39 138.19 14.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.432 1.082 . . . . 1.0 110.328 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 618' ' ' LYS . . . . . 0.818 ' HG3' HG23 ' A' ' 612' ' ' THR . 9.1 tptt -117.8 -98.47 0.45 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 1.0 109.284 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 619' ' ' CYS . . . . . 0.472 ' O ' ' CG ' ' A' ' 611' ' ' GLU . 16.2 m -157.45 -172.68 4.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 1.0 108.295 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 620' ' ' LEU . . . . . 1.057 ' CD1' HD12 ' A' ' 640' ' ' LEU . 0.1 OUTLIER -99.91 140.94 33.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 1.0 109.293 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 621' ' ' LEU . . . . . 0.827 HD23 ' HG3' ' A' ' 610' ' ' GLU . 4.9 tp -94.64 158.37 15.55 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.605 1.191 . . . . 1.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 622' ' ' LEU . . . . . 0.872 HD12 HD21 ' A' ' 632' ' ' LEU . 0.9 OUTLIER -160.11 86.15 0.75 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 1.0 109.341 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 623' ' ' LYS . . . . . 0.452 ' HD3' ' HB2' ' A' ' 608' ' ' SER . 0.0 OUTLIER -93.2 136.78 33.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.383 1.052 . . . . 1.0 109.351 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 624' ' ' ILE . . . . . 0.958 HG22 ' H ' ' A' ' 626' ' ' GLY . 79.2 mt -101.58 144.75 12.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.148 . . . . 1.0 109.313 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 625' ' ' ARG . . . . . 0.551 ' CB ' ' HG2' ' A' ' 607' ' ' GLN . 16.7 ptt180 -80.51 3.09 22.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 1.0 110.299 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 626' ' ' GLY . . . . . 0.958 ' H ' HG22 ' A' ' 624' ' ' ILE . . . -87.92 -22.15 43.47 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.544 1.153 . . . . 1.0 111.002 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 118.33 38.68 0.78 Allowed Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.055 -0.818 . . . . 1.0 111.055 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 628' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -141.97 167.72 21.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 0.779 . . . . 1.0 109.228 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -139.35 150.06 44.9 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.503 1.127 . . . . 1.0 110.262 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 630' ' ' PHE . . . . . 0.511 ' CG ' ' HE2' ' A' ' 567' ' ' LYS . 1.1 m-85 -142.62 158.19 43.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 1.0 110.975 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 631' ' ' ILE . . . . . 0.537 ' O ' HG22 ' A' ' 631' ' ' ILE . 0.1 OUTLIER -140.68 108.2 2.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 1.0 109.33 179.925 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 632' ' ' LEU . . . . . 0.872 HD21 HD12 ' A' ' 622' ' ' LEU . 0.4 OUTLIER -83.46 152.28 25.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 1.0 109.302 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 633' ' ' GLN . . . . . 0.464 ' HG3' ' HG ' ' A' ' 566' ' ' SER . 1.7 pp0? -153.26 117.98 5.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.402 1.064 . . . . 1.0 110.254 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 634' ' ' CYS . . . . . 0.506 ' SG ' ' HA ' ' A' ' 565' ' ' MET . 5.7 t -124.31 169.75 11.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.384 1.052 . . . . 1.0 108.349 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 635' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -87.17 -18.38 30.5 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.118 . . . . 1.0 109.346 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 636' ' ' SER . . . . . 0.551 ' HB2' ' HB2' ' A' ' 639' ' ' GLU . 2.4 m -94.85 152.26 18.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 1.0 110.0 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 637' ' ' ASP . . . . . 0.711 ' N ' ' CD ' ' A' ' 638' ' ' PRO . 0.4 OUTLIER -90.07 -39.89 0.41 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 1.0 109.304 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 638' ' ' PRO . . . . . 0.711 ' CD ' ' N ' ' A' ' 637' ' ' ASP . 17.8 Cg_endo -75.11 -55.88 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.48 1.779 . . . . 1.0 110.989 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 639' ' ' GLU . . . . . 0.573 ' C ' ' O ' ' A' ' 638' ' ' PRO . 46.9 mm-40 -24.28 -80.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 1.0 110.292 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 640' ' ' LEU . . . . . 1.057 HD12 ' CD1' ' A' ' 620' ' ' LEU . 0.2 OUTLIER -49.21 -46.29 45.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.146 . . . . 1.0 109.293 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 641' ' ' VAL . . . . . 0.63 HG12 ' N ' ' A' ' 642' ' ' GLN . 0.8 OUTLIER -46.05 -58.66 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 1.0 109.228 -179.927 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 642' ' ' GLN . . . . . 0.63 ' N ' HG12 ' A' ' 641' ' ' VAL . 1.2 mm-40 -62.98 -39.51 94.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 1.0 110.297 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 643' ' ' TRP . . . . . 0.7 ' CZ3' ' HB2' ' A' ' 583' ' ' LEU . 18.9 m95 -56.2 -41.79 76.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 1.0 108.047 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 644' ' ' LYS . . . . . 0.955 ' CD ' HG22 ' A' ' 609' ' ' VAL . 0.0 OUTLIER -58.16 -54.71 43.86 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.405 1.065 . . . . 1.0 109.258 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 1.4 tmtt? -44.26 -54.42 5.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 1.0 109.291 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 646' ' ' GLU . . . . . 0.63 ' CB ' HD23 ' A' ' 583' ' ' LEU . 0.1 OUTLIER -70.85 -29.0 65.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 1.0 110.341 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 647' ' ' LEU . . . . . 0.564 ' HB2' ' HA ' ' A' ' 644' ' ' LYS . 0.9 OUTLIER -70.78 -62.57 1.34 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.085 . . . . 1.0 109.253 -179.917 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 648' ' ' ARG . . . . . 0.53 ' N ' ' O ' ' A' ' 644' ' ' LYS . 0.4 OUTLIER -40.23 -50.59 2.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 1.0 110.281 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 649' ' ' ASP . . . . . 0.42 ' O ' ' N ' ' A' ' 653' ' ' GLU . 42.5 t0 -62.93 -50.0 72.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.153 . . . . 1.0 109.348 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 650' ' ' ALA . . . . . 0.564 ' HB1' ' SD ' ' A' ' 603' ' ' MET . . . -46.04 -49.43 16.26 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.536 1.148 . . . . 1.0 109.242 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 651' ' ' TYR . . . . . 1.273 ' CD2' HG21 ' A' ' 606' ' ' ILE . 16.0 m-30 -73.37 -42.7 61.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.615 1.197 . . . . 1.0 110.995 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 652' ' ' ARG . . . . . 0.489 ' O ' ' HB2' ' A' ' 655' ' ' GLN . 70.3 mtp180 -60.07 -63.0 1.45 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.566 1.166 . . . . 1.0 110.314 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 653' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 649' ' ' ASP . 4.6 mt-10 -43.48 -51.35 6.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 1.0 110.296 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -50.52 -36.13 32.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 1.0 109.227 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 655' ' ' GLN . . . . . 0.489 ' HB2' ' O ' ' A' ' 652' ' ' ARG . 63.5 mt-30 . . . . . 0 C--N 1.324 -0.533 0 O-C-N 124.514 1.134 . . . . 1.0 110.278 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 559' ' ' CYS . . . . . . . . . . . . . 24.2 t . . . . . 0 N--CA 1.454 -0.23 0 N-CA-C 108.34 -0.985 . . . . 1.0 108.34 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 560' ' ' ILE . . . . . 0.761 HD11 ' HA ' ' A' ' 585' ' ' PRO . 12.5 mt -87.32 -55.72 6.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.49 1.119 . . . . 1.0 109.364 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 561' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.15 153.36 41.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.587 1.18 . . . . 1.0 111.046 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 562' ' ' HIS . . . . . . . . . . . . . 14.1 p-80 -151.61 169.81 21.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.086 . . . . 1.0 109.636 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 563' ' ' GLY . . . . . 0.474 ' O ' ' CD1' ' A' ' 580' ' ' TYR . . . 138.31 -158.26 24.8 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.491 1.12 . . . . 1.0 111.019 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 564' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -92.57 127.07 37.93 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.403 0.708 . . . . 1.0 111.041 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 565' ' ' MET . . . . . 0.661 ' O ' ' O ' ' A' ' 579' ' ' ARG . 0.0 OUTLIER -145.67 133.98 21.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.1 . . . . 1.0 111.022 -179.909 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 566' ' ' SER . . . . . 0.435 ' HB2' ' HA ' ' A' ' 578' ' ' ARG . 0.4 OUTLIER -102.39 138.98 38.6 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.54 1.15 . . . . 1.0 109.992 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 567' ' ' LYS . . . . . 0.551 ' HB3' ' CZ ' ' A' ' 581' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.58 1.175 . . . . 1.0 109.283 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 578' ' ' ARG . . . . . 0.435 ' HA ' ' HB2' ' A' ' 566' ' ' SER . 1.5 mpt_? . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 110.231 -0.285 . . . . 1.0 110.231 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 579' ' ' ARG . . . . . 0.661 ' O ' ' O ' ' A' ' 565' ' ' MET . 3.0 mmm-85 -135.53 166.17 23.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 1.0 110.26 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 580' ' ' TYR . . . . . 0.474 ' CD1' ' O ' ' A' ' 563' ' ' GLY . 0.4 OUTLIER -87.58 122.64 31.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 1.0 111.031 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 581' ' ' PHE . . . . . 0.579 ' CD2' ' HE3' ' A' ' 565' ' ' MET . 8.8 m-85 -116.0 157.56 24.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 1.0 110.951 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 582' ' ' TYR . . . . . 0.726 ' CD1' ' O ' ' A' ' 582' ' ' TYR . 0.2 OUTLIER -142.95 124.16 14.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 1.0 110.998 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 583' ' ' LEU . . . . . 0.807 ' HB2' ' CZ3' ' A' ' 643' ' ' TRP . 6.5 tp -97.48 127.72 43.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.161 . . . . 1.0 109.282 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 584' ' ' PHE . . . . . 0.622 ' O ' HD12 ' A' ' 560' ' ' ILE . 0.3 OUTLIER -115.09 176.95 1.3 Allowed Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.46 1.1 . . . . 1.0 110.954 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 585' ' ' PRO . . . . . 0.761 ' HA ' HD11 ' A' ' 560' ' ' ILE . 18.1 Cg_endo -75.04 0.77 8.52 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.506 1.792 . . . . 1.0 111.011 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 586' ' ' ASN . . . . . 0.698 ' HA ' ' CG ' ' A' ' 603' ' ' MET . 1.1 m120 -166.67 -41.81 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.517 1.136 . . . . 1.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 587' ' ' ARG . . . . . 0.497 ' HA ' ' HA ' ' A' ' 602' ' ' THR . 6.3 mtp180 -87.32 179.52 6.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 1.0 110.3 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 588' ' ' LEU . . . . . 0.46 HD22 ' CD1' ' A' ' 583' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.643 1.214 . . . . 1.0 109.266 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 1.7 mm? . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.297 -0.631 . . . . 1.0 109.297 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 602' ' ' THR . . . . . 0.678 HG22 ' O ' ' A' ' 586' ' ' ASN . 0.0 OUTLIER -105.72 -159.35 0.7 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 1.0 110.375 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 603' ' ' MET . . . . . 1.014 ' HE3' ' HB2' ' A' ' 654' ' ' ALA . 0.0 OUTLIER -128.38 33.99 4.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.546 1.154 . . . . 1.0 111.005 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 604' ' ' GLU . . . . . 0.917 ' HB3' ' HB1' ' A' ' 654' ' ' ALA . 9.9 pt-20 -125.49 61.45 1.22 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 1.0 110.313 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 605' ' ' GLU . . . . . 0.458 ' O ' ' C ' ' A' ' 606' ' ' ILE . 2.7 pt-20 -159.09 -49.45 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 1.0 110.284 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 606' ' ' ILE . . . . . 1.193 HG21 ' CD2' ' A' ' 651' ' ' TYR . 1.2 mp -36.25 139.77 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.127 . . . . 1.0 109.258 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 607' ' ' GLN . . . . . 0.563 ' CG ' ' CB ' ' A' ' 625' ' ' ARG . 0.0 OUTLIER -95.96 -35.44 11.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 1.0 110.301 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 1.3 m -172.59 135.38 0.68 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 1.0 109.995 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 609' ' ' VAL . . . . . 0.887 HG22 ' CD ' ' A' ' 644' ' ' LYS . 3.7 p -107.73 140.6 25.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.15 . . . . 1.0 109.304 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 610' ' ' GLU . . . . . 0.755 ' HG3' HD23 ' A' ' 621' ' ' LEU . 0.1 OUTLIER -156.99 -166.26 2.04 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.408 1.067 . . . . 1.0 110.255 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 611' ' ' GLU . . . . . 0.554 ' HA ' ' HA ' ' A' ' 620' ' ' LEU . 19.2 tt0 -145.39 143.18 29.95 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.34 1.025 . . . . 1.0 110.363 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 612' ' ' THR . . . . . 0.766 HG23 ' HG3' ' A' ' 618' ' ' LYS . 0.0 OUTLIER -103.83 165.86 10.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.44 1.087 . . . . 1.0 110.412 179.905 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -132.03 161.29 33.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.374 1.046 . . . . 1.0 110.294 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 614' ' ' ILE . . . . . 0.79 HG22 ' O ' ' A' ' 614' ' ' ILE . 0.2 OUTLIER -145.98 84.94 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.123 . . . . 1.0 109.291 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 615' ' ' LYS . . . . . 0.43 ' HB2' ' O ' ' A' ' 614' ' ' ILE . 37.6 mmtt 82.07 -34.19 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 1.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 616' ' ' GLU . . . . . 0.43 ' H ' ' C ' ' A' ' 614' ' ' ILE . 3.8 tt0 -155.66 -49.42 0.08 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.556 1.16 . . . . 1.0 110.284 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 10.0 ttt85 -155.35 139.42 16.45 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 1.0 110.295 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 618' ' ' LYS . . . . . 0.766 ' HG3' HG23 ' A' ' 612' ' ' THR . 10.6 tptt -118.46 -96.71 0.47 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.567 1.167 . . . . 1.0 109.279 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 619' ' ' CYS . . . . . 0.51 ' O ' ' CG ' ' A' ' 611' ' ' GLU . 14.7 m -157.86 -176.91 6.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 1.0 108.208 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 620' ' ' LEU . . . . . 1.069 ' CD1' HD12 ' A' ' 640' ' ' LEU . 0.2 OUTLIER -95.93 150.5 20.37 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.515 1.135 . . . . 1.0 109.308 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 621' ' ' LEU . . . . . 0.755 HD23 ' HG3' ' A' ' 610' ' ' GLU . 0.4 OUTLIER -110.73 160.17 16.95 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.569 1.168 . . . . 1.0 109.265 -179.941 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 622' ' ' LEU . . . . . 0.911 ' CD1' HD11 ' A' ' 632' ' ' LEU . 9.0 mt -154.71 85.44 1.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 1.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 623' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.69 137.46 32.81 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 1.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 624' ' ' ILE . . . . . 0.92 HG22 ' H ' ' A' ' 626' ' ' GLY . 67.1 mt -105.92 145.77 13.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 1.0 109.299 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 625' ' ' ARG . . . . . 0.563 ' CB ' ' CG ' ' A' ' 607' ' ' GLN . 13.6 ptt180 -77.46 2.23 16.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 1.0 110.289 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 626' ' ' GLY . . . . . 0.92 ' H ' HG22 ' A' ' 624' ' ' ILE . . . -90.15 -19.49 46.15 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.469 1.105 . . . . 1.0 110.981 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 112.68 41.08 1.05 Allowed Glycine 0 CA--C 1.53 1.002 0 N-CA-C 110.991 -0.844 . . . . 1.0 110.991 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 628' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.89 169.96 16.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 0.782 . . . . 1.0 109.34 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 9.2 mp0 -141.46 147.48 37.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.145 . . . . 1.0 110.349 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 630' ' ' PHE . . . . . 0.506 ' CD1' ' HE2' ' A' ' 567' ' ' LYS . 0.6 OUTLIER -133.35 150.0 51.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.529 1.143 . . . . 1.0 110.868 -179.917 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 631' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -128.37 121.8 56.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 1.0 109.343 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 632' ' ' LEU . . . . . 0.911 HD11 ' CD1' ' A' ' 622' ' ' LEU . 0.9 OUTLIER -105.75 154.99 19.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 1.0 109.329 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 633' ' ' GLN . . . . . 0.458 ' HB2' ' SG ' ' A' ' 619' ' ' CYS . 64.1 tt0 -155.48 134.83 12.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.58 1.175 . . . . 1.0 110.29 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 634' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -143.06 155.18 44.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.107 . . . . 1.0 108.307 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 635' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -78.81 -19.73 51.41 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.532 1.145 . . . . 1.0 109.246 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 636' ' ' SER . . . . . 0.515 ' HB2' ' CG ' ' A' ' 639' ' ' GLU . 0.8 OUTLIER -96.4 146.29 24.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.589 1.18 . . . . 1.0 110.021 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 637' ' ' ASP . . . . . 0.723 ' N ' ' CD ' ' A' ' 638' ' ' PRO . 0.5 OUTLIER -79.14 -38.25 1.31 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.088 . . . . 1.0 109.31 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 638' ' ' PRO . . . . . 0.723 ' CD ' ' N ' ' A' ' 637' ' ' ASP . 18.3 Cg_endo -74.97 -61.54 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.403 1.738 . . . . 1.0 110.983 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 639' ' ' GLU . . . . . 0.599 ' C ' ' O ' ' A' ' 638' ' ' PRO . 72.6 mm-40 -21.38 -80.07 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.507 1.129 . . . . 1.0 110.308 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 640' ' ' LEU . . . . . 1.069 HD12 ' CD1' ' A' ' 620' ' ' LEU . 0.2 OUTLIER -50.2 -50.71 48.62 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 1.0 109.253 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 641' ' ' VAL . . . . . 0.585 HG12 ' N ' ' A' ' 642' ' ' GLN . 1.1 t -43.24 -59.88 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 1.0 109.243 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 642' ' ' GLN . . . . . 0.585 ' N ' HG12 ' A' ' 641' ' ' VAL . 0.0 OUTLIER -58.91 -40.65 85.15 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.541 1.151 . . . . 1.0 110.292 -179.923 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 643' ' ' TRP . . . . . 0.807 ' CZ3' ' HB2' ' A' ' 583' ' ' LEU . 15.3 m95 -51.76 -50.3 60.95 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 107.979 -1.119 . . . . 1.0 107.979 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 644' ' ' LYS . . . . . 0.887 ' CD ' HG22 ' A' ' 609' ' ' VAL . 0.3 OUTLIER -52.63 -60.14 3.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 1.0 109.256 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 645' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 644' ' ' LYS . 0.0 OUTLIER -38.61 -49.25 1.52 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.608 1.193 . . . . 1.0 109.236 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 646' ' ' GLU . . . . . 0.604 ' CB ' HD23 ' A' ' 583' ' ' LEU . 1.8 mt-10 -73.38 -37.39 66.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 1.0 110.333 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 647' ' ' LEU . . . . . 0.585 HD12 ' C ' ' A' ' 643' ' ' TRP . 0.4 OUTLIER -67.45 -62.77 1.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.103 . . . . 1.0 109.198 -179.874 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 648' ' ' ARG . . . . . 0.559 ' N ' ' O ' ' A' ' 644' ' ' LYS . 0.1 OUTLIER -39.12 -50.64 1.88 Allowed 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.478 1.111 . . . . 1.0 110.288 -179.932 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 649' ' ' ASP . . . . . 0.54 ' HA ' ' CD ' ' A' ' 652' ' ' ARG . 13.6 t70 -65.95 -55.15 18.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 1.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 650' ' ' ALA . . . . . 0.635 ' HB1' ' SD ' ' A' ' 603' ' ' MET . . . -37.67 -40.16 0.39 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.649 1.218 . . . . 1.0 109.453 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 651' ' ' TYR . . . . . 1.193 ' CD2' HG21 ' A' ' 606' ' ' ILE . 14.6 m-30 -80.24 -40.71 26.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 1.0 110.986 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 652' ' ' ARG . . . . . 0.54 ' CD ' ' HA ' ' A' ' 649' ' ' ASP . 0.1 OUTLIER -69.63 -35.16 74.98 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.559 1.162 . . . . 1.0 110.259 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 653' ' ' GLU . . . . . 0.49 ' N ' ' O ' ' A' ' 649' ' ' ASP . 0.9 OUTLIER -70.99 -35.7 72.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 1.0 110.322 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 654' ' ' ALA . . . . . 1.014 ' HB2' ' HE3' ' A' ' 603' ' ' MET . . . -78.73 -53.54 7.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 1.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 655' ' ' GLN . . . . . 0.506 ' HG2' ' O ' ' A' ' 652' ' ' ARG . 2.8 pt20 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 1.0 110.352 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 559' ' ' CYS . . . . . . . . . . . . . 8.3 t . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 108.257 -1.016 . . . . 1.0 108.257 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 560' ' ' ILE . . . . . 0.951 HD11 ' HA ' ' A' ' 585' ' ' PRO . 10.6 mt -96.54 -52.75 8.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 1.0 109.258 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 561' ' ' MET . . . . . 0.485 ' CE ' ' OE2' ' A' ' 646' ' ' GLU . 0.4 OUTLIER -150.3 154.45 37.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.394 1.059 . . . . 1.0 111.018 -179.909 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 562' ' ' HIS . . . . . . . . . . . . . 4.3 p80 -147.51 155.84 42.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 1.0 109.637 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 563' ' ' GLY . . . . . 0.461 ' N ' ' HZ2' ' A' ' 643' ' ' TRP . . . 168.03 -168.64 40.91 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.456 1.097 . . . . 1.0 111.012 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 564' ' ' TYR . . . . . 0.465 ' O ' ' SG ' ' A' ' 634' ' ' CYS . 0.3 OUTLIER -94.72 124.17 38.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 0.776 . . . . 1.0 111.11 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 565' ' ' MET . . . . . 0.537 ' O ' ' O ' ' A' ' 579' ' ' ARG . 5.4 mtm -143.92 151.44 39.8 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.516 1.135 . . . . 1.0 111.027 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.72 148.43 44.63 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.464 1.103 . . . . 1.0 109.929 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 567' ' ' LYS . . . . . 0.603 ' HA ' ' HA ' ' A' ' 632' ' ' LEU . 35.5 ttpt . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.561 1.163 . . . . 1.0 109.306 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 578' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.262 -0.273 . . . . 1.0 110.262 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 579' ' ' ARG . . . . . 0.537 ' O ' ' O ' ' A' ' 565' ' ' MET . 13.6 mtp85 -118.39 163.63 16.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 1.0 110.32 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 580' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -87.65 120.73 29.26 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.14 . . . . 1.0 111.036 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 581' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -108.04 161.23 15.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.137 . . . . 1.0 110.974 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 582' ' ' TYR . . . . . 0.416 ' O ' ' HA ' ' A' ' 588' ' ' LEU . 14.8 m-85 -147.53 110.23 4.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.411 1.069 . . . . 1.0 110.985 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 583' ' ' LEU . . . . . 0.856 ' O ' HD23 ' A' ' 583' ' ' LEU . 0.5 OUTLIER -89.32 113.74 25.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 1.0 109.304 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 584' ' ' PHE . . . . . 0.594 ' CD2' ' HD2' ' A' ' 585' ' ' PRO . 0.2 OUTLIER -97.35 179.96 1.0 Allowed Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.524 1.14 . . . . 1.0 111.109 179.916 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 585' ' ' PRO . . . . . 0.951 ' HA ' HD11 ' A' ' 560' ' ' ILE . 18.3 Cg_endo -74.99 9.08 2.14 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.516 1.798 . . . . 1.0 111.025 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 586' ' ' ASN . . . . . 0.759 ' OD1' ' HB2' ' A' ' 654' ' ' ALA . 20.8 m-20 179.95 -41.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 1.0 109.366 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 587' ' ' ARG . . . . . 0.477 ' HA ' ' HA ' ' A' ' 602' ' ' THR . 0.0 OUTLIER -89.98 -172.93 3.69 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.506 1.129 . . . . 1.0 110.273 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 588' ' ' LEU . . . . . 0.842 ' C ' HD12 ' A' ' 588' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 1.0 109.252 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.231 -0.655 . . . . 1.0 109.231 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 602' ' ' THR . . . . . 0.477 ' HA ' ' HA ' ' A' ' 587' ' ' ARG . 0.2 OUTLIER -113.8 -177.39 3.12 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.552 1.158 . . . . 1.0 110.424 179.93 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 603' ' ' MET . . . . . 0.705 ' SD ' HD23 ' A' ' 588' ' ' LEU . 0.0 OUTLIER -128.36 42.5 3.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 1.0 111.035 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 604' ' ' GLU . . . . . 0.88 ' HB3' ' HB1' ' A' ' 654' ' ' ALA . 12.5 pt-20 -124.3 57.26 1.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.421 1.076 . . . . 1.0 110.273 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 605' ' ' GLU . . . . . 0.475 ' HB2' HG23 ' A' ' 624' ' ' ILE . 1.5 pt-20 -156.76 -42.08 0.07 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.603 1.189 . . . . 1.0 110.232 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 606' ' ' ILE . . . . . 1.091 HG21 ' CD2' ' A' ' 651' ' ' TYR . 1.1 mp -34.56 135.89 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 1.0 109.281 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 607' ' ' GLN . . . . . 0.44 ' HG2' ' CB ' ' A' ' 625' ' ' ARG . 1.0 OUTLIER -90.89 -37.46 13.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 1.0 110.304 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -174.42 134.98 0.42 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.574 1.171 . . . . 1.0 110.001 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 609' ' ' VAL . . . . . 1.068 HG22 ' CD ' ' A' ' 644' ' ' LYS . 5.8 p -108.08 142.87 19.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.57 1.169 . . . . 1.0 109.343 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 610' ' ' GLU . . . . . 0.846 ' CG ' HD23 ' A' ' 621' ' ' LEU . 0.1 OUTLIER -162.71 -171.23 2.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 1.0 110.322 179.93 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 611' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -115.24 177.65 4.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.452 1.095 . . . . 1.0 110.305 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 612' ' ' THR . . . . . 0.673 ' O ' ' CB ' ' A' ' 618' ' ' LYS . 3.8 t -156.94 153.12 27.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.583 1.177 . . . . 1.0 110.455 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -116.25 174.24 6.16 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.415 1.072 . . . . 1.0 110.276 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 614' ' ' ILE . . . . . 0.834 HG23 ' O ' ' A' ' 614' ' ' ILE . 0.0 OUTLIER -152.13 41.13 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.113 . . . . 1.0 109.325 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 615' ' ' LYS . . . . . 0.432 ' HB2' ' O ' ' A' ' 614' ' ' ILE . 27.3 mmtt 82.75 -21.02 0.31 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.434 1.084 . . . . 1.0 109.284 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 616' ' ' GLU . . . . . 0.443 ' O ' ' CD ' ' A' ' 618' ' ' LYS . 1.1 tt0 -160.07 -54.52 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 1.0 110.304 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 617' ' ' ARG . . . . . 0.511 ' C ' ' CD ' ' A' ' 618' ' ' LYS . 1.4 ttt180 -85.35 152.0 23.59 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.399 1.062 . . . . 1.0 110.229 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 618' ' ' LYS . . . . . 0.673 ' CB ' ' O ' ' A' ' 612' ' ' THR . 0.0 OUTLIER -136.27 165.35 25.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.582 1.176 . . . . 1.0 109.293 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 619' ' ' CYS . . . . . 0.447 ' SG ' ' C ' ' A' ' 618' ' ' LYS . 6.6 m -151.58 151.96 32.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 1.0 108.263 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 620' ' ' LEU . . . . . 1.033 ' CD1' HD12 ' A' ' 640' ' ' LEU . 0.3 OUTLIER -85.34 122.54 29.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 1.0 109.288 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 621' ' ' LEU . . . . . 0.846 HD23 ' CG ' ' A' ' 610' ' ' GLU . 0.7 OUTLIER -84.32 158.2 21.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 1.0 109.288 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 622' ' ' LEU . . . . . 0.914 HD23 HG12 ' A' ' 606' ' ' ILE . 0.1 OUTLIER -155.5 77.65 0.99 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 1.0 109.342 -179.936 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 623' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.25 137.37 38.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 1.0 109.204 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 624' ' ' ILE . . . . . 0.549 HG22 ' H ' ' A' ' 626' ' ' GLY . 5.0 mt -102.45 149.48 6.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.567 1.167 . . . . 1.0 109.271 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 625' ' ' ARG . . . . . 0.44 ' CB ' ' HG2' ' A' ' 607' ' ' GLN . 13.9 ptt180 -77.96 3.5 14.49 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.46 1.1 . . . . 1.0 110.315 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 626' ' ' GLY . . . . . 0.549 ' H ' HG22 ' A' ' 624' ' ' ILE . . . -96.56 -19.98 25.95 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.547 1.154 . . . . 1.0 110.987 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 112.56 33.5 2.07 Favored Glycine 0 CA--C 1.529 0.959 0 N-CA-C 111.053 -0.819 . . . . 1.0 111.053 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 628' ' ' LYS . . . . . . . . . . . . . 2.7 mttt -128.69 133.22 48.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 0.762 . . . . 1.0 109.313 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -110.85 136.77 49.4 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.46 1.1 . . . . 1.0 110.279 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 630' ' ' PHE . . . . . 0.49 ' O ' ' N ' ' A' ' 622' ' ' LEU . 4.8 m-85 -131.67 141.62 49.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.586 1.179 . . . . 1.0 111.019 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 631' ' ' ILE . . . . . 0.653 HD12 ' HA ' ' A' ' 621' ' ' LEU . 0.6 OUTLIER -135.39 103.72 4.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 1.0 109.267 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 632' ' ' LEU . . . . . 0.84 HD21 HD13 ' A' ' 622' ' ' LEU . 0.1 OUTLIER -106.76 153.6 22.21 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.533 1.146 . . . . 1.0 109.264 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 633' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.73 152.48 41.32 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.574 1.171 . . . . 1.0 110.29 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 634' ' ' CYS . . . . . 0.651 ' HB2' HD23 ' A' ' 640' ' ' LEU . 2.0 t -134.65 178.56 6.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 1.0 108.253 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 635' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.03 -21.39 23.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 1.0 109.3 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 636' ' ' SER . . . . . 0.614 ' CB ' ' CG ' ' A' ' 639' ' ' GLU . 0.8 OUTLIER -86.98 145.32 26.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.559 1.162 . . . . 1.0 109.981 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 637' ' ' ASP . . . . . 0.603 ' N ' ' CD ' ' A' ' 638' ' ' PRO . 0.2 OUTLIER -85.17 -46.81 0.63 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 1.0 109.29 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 638' ' ' PRO . . . . . 0.603 ' CD ' ' N ' ' A' ' 637' ' ' ASP . 18.3 Cg_endo -74.98 -48.94 0.16 Allowed 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.43 1.753 . . . . 1.0 111.051 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 639' ' ' GLU . . . . . 0.614 ' CG ' ' CB ' ' A' ' 636' ' ' SER . 43.0 mm-40 -27.71 -81.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.421 1.076 . . . . 1.0 110.245 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 640' ' ' LEU . . . . . 1.033 HD12 ' CD1' ' A' ' 620' ' ' LEU . 0.2 OUTLIER -47.34 -45.5 24.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.15 . . . . 1.0 109.328 179.951 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 641' ' ' VAL . . . . . 0.601 HG12 ' N ' ' A' ' 642' ' ' GLN . 0.7 OUTLIER -47.59 -56.21 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.586 1.179 . . . . 1.0 109.293 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 642' ' ' GLN . . . . . 0.601 ' N ' HG12 ' A' ' 641' ' ' VAL . 1.1 mt-30 -65.74 -38.46 89.19 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.585 1.178 . . . . 1.0 110.315 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 643' ' ' TRP . . . . . 0.539 ' CZ3' ' CB ' ' A' ' 583' ' ' LEU . 14.7 m95 -56.74 -44.43 81.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 1.0 108.006 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 644' ' ' LYS . . . . . 1.068 ' CD ' HG22 ' A' ' 609' ' ' VAL . 4.7 ttpp -54.64 -57.42 11.52 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 1.0 109.338 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 645' ' ' LYS . . . . . 0.408 ' HB3' ' OE1' ' A' ' 646' ' ' GLU . 5.9 tmtt? -41.11 -53.02 3.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.441 1.088 . . . . 1.0 109.326 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 646' ' ' GLU . . . . . 0.684 ' HG2' HG22 ' A' ' 560' ' ' ILE . 0.7 OUTLIER -69.34 -34.83 75.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.417 1.073 . . . . 1.0 110.377 179.928 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 647' ' ' LEU . . . . . 0.967 HD22 ' OH ' ' A' ' 651' ' ' TYR . 33.7 mt -65.32 -63.78 1.02 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 1.0 109.303 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 648' ' ' ARG . . . . . 0.611 ' HG3' ' CG1' ' A' ' 609' ' ' VAL . 0.0 OUTLIER -38.18 -50.98 1.44 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.461 1.1 . . . . 1.0 110.347 -179.933 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 649' ' ' ASP . . . . . 0.494 ' O ' ' N ' ' A' ' 652' ' ' ARG . 13.8 t70 -68.0 -54.8 15.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 1.0 109.336 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 650' ' ' ALA . . . . . . . . . . . . . . . -39.44 -39.29 0.66 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 1.0 109.308 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 651' ' ' TYR . . . . . 1.091 ' CD2' HG21 ' A' ' 606' ' ' ILE . 4.6 m-30 -79.33 -38.67 34.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.426 1.079 . . . . 1.0 111.083 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 652' ' ' ARG . . . . . 0.564 ' HA ' ' HG2' ' A' ' 655' ' ' GLN . 0.8 OUTLIER -72.35 -40.83 67.08 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.537 1.148 . . . . 1.0 110.392 179.877 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 653' ' ' GLU . . . . . 0.48 ' N ' ' CG ' ' A' ' 652' ' ' ARG . 0.1 OUTLIER -66.66 -35.01 79.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 1.0 110.323 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 654' ' ' ALA . . . . . 0.88 ' HB1' ' HB3' ' A' ' 604' ' ' GLU . . . -78.25 -55.36 5.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.16 . . . . 1.0 109.422 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 655' ' ' GLN . . . . . 0.564 ' HG2' ' HA ' ' A' ' 652' ' ' ARG . 4.7 pt20 . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.566 1.167 . . . . 1.0 110.211 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 559' ' ' CYS . . . . . 0.425 ' SG ' ' O ' ' A' ' 583' ' ' LEU . 53.8 t . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 108.337 -0.986 . . . . 1.0 108.337 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 560' ' ' ILE . . . . . 0.922 HG22 ' CG ' ' A' ' 646' ' ' GLU . 55.2 mt -69.25 -60.11 2.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.582 1.177 . . . . 1.0 109.329 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 561' ' ' MET . . . . . 0.566 ' HB2' ' HG2' ' A' ' 646' ' ' GLU . 0.0 OUTLIER -149.23 161.35 42.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.434 1.084 . . . . 1.0 111.003 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 562' ' ' HIS . . . . . 0.408 ' HA ' ' CZ2' ' A' ' 643' ' ' TRP . 0.8 OUTLIER -160.23 151.48 19.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 1.0 109.592 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 563' ' ' GLY . . . . . . . . . . . . . . . 167.86 -164.15 37.73 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.478 1.111 . . . . 1.0 111.004 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 564' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -104.55 123.57 47.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 0.772 . . . . 1.0 111.021 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 565' ' ' MET . . . . . 0.573 ' HA ' ' SG ' ' A' ' 634' ' ' CYS . 10.9 ptm -151.17 142.67 23.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 1.0 111.011 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 566' ' ' SER . . . . . 0.543 ' OG ' ' CG ' ' A' ' 633' ' ' GLN . 1.0 OUTLIER -86.02 155.89 20.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.43 1.081 . . . . 1.0 109.999 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 567' ' ' LYS . . . . . 0.672 ' HD2' HD22 ' A' ' 632' ' ' LEU . 3.0 tttp . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.387 1.054 . . . . 1.0 109.334 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 578' ' ' ARG . . . . . 0.429 ' O ' ' HG2' ' A' ' 578' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 110.349 -0.241 . . . . 1.0 110.349 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 579' ' ' ARG . . . . . 0.525 ' O ' ' O ' ' A' ' 565' ' ' MET . 0.6 OUTLIER -140.78 164.78 29.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 1.0 110.276 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 580' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -89.15 125.93 35.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.555 1.159 . . . . 1.0 111.044 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 581' ' ' PHE . . . . . 0.497 ' HD2' HD11 ' A' ' 588' ' ' LEU . 25.7 m-85 -120.33 163.76 17.34 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.449 1.093 . . . . 1.0 110.987 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 582' ' ' TYR . . . . . 0.619 ' CA ' ' HH2' ' A' ' 643' ' ' TRP . 14.4 m-85 -139.36 121.18 15.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 1.0 110.951 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 583' ' ' LEU . . . . . 0.852 HD23 ' CB ' ' A' ' 646' ' ' GLU . 7.7 tp -88.31 102.74 15.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.566 1.166 . . . . 1.0 109.252 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 584' ' ' PHE . . . . . 0.435 ' HB2' ' O ' ' A' ' 587' ' ' ARG . 0.3 OUTLIER -104.31 152.71 39.29 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 1.0 111.009 179.91 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 585' ' ' PRO . . . . . 0.644 ' O ' ' CB ' ' A' ' 586' ' ' ASN . 18.4 Cg_endo -75.04 66.83 6.04 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.386 1.729 . . . . 1.0 110.983 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 586' ' ' ASN . . . . . 0.769 ' CA ' ' HG2' ' A' ' 603' ' ' MET . 24.2 m-20 142.24 -40.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.085 . . . . 1.0 109.317 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 587' ' ' ARG . . . . . 0.549 ' HA ' ' HA ' ' A' ' 602' ' ' THR . 0.1 OUTLIER -122.53 -175.94 3.26 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.482 1.114 . . . . 1.0 110.261 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 588' ' ' LEU . . . . . 0.497 HD11 ' HD2' ' A' ' 581' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 1.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 601' ' ' LEU . . . . . 0.429 ' O ' ' HA ' ' A' ' 587' ' ' ARG . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.364 0 N-CA-C 109.36 -0.608 . . . . 1.0 109.36 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 602' ' ' THR . . . . . 0.581 ' HA ' ' O ' ' A' ' 586' ' ' ASN . 0.0 OUTLIER -104.63 -172.85 2.18 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.445 1.09 . . . . 1.0 110.395 -179.937 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 603' ' ' MET . . . . . 0.769 ' HG2' ' CA ' ' A' ' 586' ' ' ASN . 0.0 OUTLIER -129.31 30.11 5.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 1.0 110.976 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 604' ' ' GLU . . . . . 0.532 ' HB3' ' HB1' ' A' ' 654' ' ' ALA . 7.0 pt-20 -123.82 58.43 1.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 1.0 110.271 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 605' ' ' GLU . . . . . 0.495 ' HB2' HG23 ' A' ' 624' ' ' ILE . 3.3 pt-20 -157.76 -51.49 0.07 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.527 1.142 . . . . 1.0 110.321 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 606' ' ' ILE . . . . . 1.296 HG21 ' CD2' ' A' ' 651' ' ' TYR . 0.9 OUTLIER -35.36 135.01 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.57 1.169 . . . . 1.0 109.322 179.945 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 607' ' ' GLN . . . . . 0.551 ' HG2' ' CB ' ' A' ' 625' ' ' ARG . 0.0 OUTLIER -87.42 -37.21 17.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.424 1.078 . . . . 1.0 110.367 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 608' ' ' SER . . . . . 0.427 ' HB2' ' HD3' ' A' ' 623' ' ' LYS . 3.5 m -174.9 134.18 0.35 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 1.0 109.98 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 609' ' ' VAL . . . . . 1.09 HG22 ' CD ' ' A' ' 644' ' ' LYS . 3.3 p -104.12 127.99 57.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 1.0 109.363 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 610' ' ' GLU . . . . . 0.949 ' HG3' HD23 ' A' ' 621' ' ' LEU . 3.1 pt-20 -150.39 -170.27 3.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 1.0 110.317 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 611' ' ' GLU . . . . . 0.546 ' HA ' ' HA ' ' A' ' 620' ' ' LEU . 18.7 tt0 -140.39 142.39 35.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 1.0 110.32 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 612' ' ' THR . . . . . 0.781 HG23 ' HG3' ' A' ' 618' ' ' LYS . 0.0 OUTLIER -102.95 164.49 11.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 1.0 110.393 -179.919 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 60.5 mt-30 -129.89 160.86 32.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 1.0 110.337 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 614' ' ' ILE . . . . . 0.8 HG22 ' O ' ' A' ' 614' ' ' ILE . 0.1 OUTLIER -145.55 84.33 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.422 1.076 . . . . 1.0 109.379 179.934 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 615' ' ' LYS . . . . . 0.416 ' HB2' ' O ' ' A' ' 614' ' ' ILE . 2.8 mmmt 81.89 -33.18 0.1 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.456 1.097 . . . . 1.0 109.273 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 616' ' ' GLU . . . . . 0.44 ' H ' ' C ' ' A' ' 614' ' ' ILE . 3.5 tt0 -156.23 -48.41 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.596 1.185 . . . . 1.0 110.294 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -157.18 138.23 13.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.59 1.181 . . . . 1.0 110.27 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 618' ' ' LYS . . . . . 0.781 ' HG3' HG23 ' A' ' 612' ' ' THR . 11.4 tptt -116.33 -97.16 0.46 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.418 1.074 . . . . 1.0 109.323 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 619' ' ' CYS . . . . . 0.473 ' O ' ' CG ' ' A' ' 611' ' ' GLU . 52.9 m -157.29 -178.91 7.7 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.564 1.165 . . . . 1.0 108.326 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 620' ' ' LEU . . . . . 1.049 ' CD1' HD12 ' A' ' 640' ' ' LEU . 0.2 OUTLIER -96.39 141.19 30.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 1.0 109.314 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 621' ' ' LEU . . . . . 0.949 HD23 ' HG3' ' A' ' 610' ' ' GLU . 1.0 OUTLIER -105.28 162.89 13.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 1.0 109.376 179.94 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 622' ' ' LEU . . . . . 0.933 HD13 HD21 ' A' ' 632' ' ' LEU . 0.1 OUTLIER -160.57 78.09 0.62 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 1.0 109.298 -179.919 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 623' ' ' LYS . . . . . 0.427 ' HD3' ' HB2' ' A' ' 608' ' ' SER . 0.0 OUTLIER -76.38 141.03 41.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.393 1.058 . . . . 1.0 109.292 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 624' ' ' ILE . . . . . 0.928 HG22 ' H ' ' A' ' 626' ' ' GLY . 56.3 mt -106.24 145.64 13.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 1.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 625' ' ' ARG . . . . . 0.551 ' CB ' ' HG2' ' A' ' 607' ' ' GLN . 20.5 ptt180 -77.65 2.88 15.33 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.524 1.14 . . . . 1.0 110.252 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 626' ' ' GLY . . . . . 0.928 ' H ' HG22 ' A' ' 624' ' ' ILE . . . -93.6 -22.9 25.13 Favored Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.517 1.136 . . . . 1.0 110.942 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 114.2 41.42 0.9 Allowed Glycine 0 CA--C 1.529 0.956 0 N-CA-C 111.058 -0.817 . . . . 1.0 111.058 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 628' ' ' LYS . . . . . . . . . . . . . 4.5 mtmt -147.21 120.79 9.13 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.469 0.747 . . . . 1.0 109.257 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 629' ' ' GLN . . . . . 0.401 ' HA ' ' HA ' ' A' ' 623' ' ' LYS . 3.4 mp0 -99.54 148.51 24.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.578 1.174 . . . . 1.0 110.379 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 630' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -127.21 157.46 39.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 1.0 111.053 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 631' ' ' ILE . . . . . 0.651 HD13 ' O ' ' A' ' 620' ' ' LEU . 0.5 OUTLIER -144.35 103.72 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 1.0 109.264 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 632' ' ' LEU . . . . . 0.933 HD21 HD13 ' A' ' 622' ' ' LEU . 0.2 OUTLIER -116.89 166.2 12.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.155 . . . . 1.0 109.294 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 633' ' ' GLN . . . . . 0.543 ' CG ' ' OG ' ' A' ' 566' ' ' SER . 12.1 pt20 -146.42 174.15 11.65 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.432 1.082 . . . . 1.0 110.296 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 634' ' ' CYS . . . . . 0.742 ' HB2' HD23 ' A' ' 640' ' ' LEU . 0.5 OUTLIER -155.32 160.51 40.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 1.0 108.238 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 635' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.21 -14.38 33.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.41 1.069 . . . . 1.0 109.247 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 636' ' ' SER . . . . . 0.58 ' CB ' ' CG ' ' A' ' 639' ' ' GLU . 2.4 m -95.35 161.72 13.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 1.0 110.067 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 637' ' ' ASP . . . . . 0.554 ' N ' ' CD ' ' A' ' 638' ' ' PRO . 0.4 OUTLIER -92.26 -49.57 0.3 Allowed Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.46 1.1 . . . . 1.0 109.284 -179.941 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 638' ' ' PRO . . . . . 0.566 ' O ' ' C ' ' A' ' 639' ' ' GLU . 18.5 Cg_endo -74.99 -52.25 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.474 1.776 . . . . 1.0 111.029 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 639' ' ' GLU . . . . . 0.58 ' CG ' ' CB ' ' A' ' 636' ' ' SER . 20.3 mm-40 -23.66 -80.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 1.0 110.306 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 640' ' ' LEU . . . . . 1.049 HD12 ' CD1' ' A' ' 620' ' ' LEU . 0.2 OUTLIER -52.34 -47.57 65.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 1.0 109.243 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 641' ' ' VAL . . . . . 0.615 HG12 ' N ' ' A' ' 642' ' ' GLN . 0.8 OUTLIER -44.22 -57.52 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.164 . . . . 1.0 109.234 -179.943 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 642' ' ' GLN . . . . . 0.615 ' N ' HG12 ' A' ' 641' ' ' VAL . 0.1 OUTLIER -63.12 -40.95 99.08 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.403 1.064 . . . . 1.0 110.302 -179.94 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 643' ' ' TRP . . . . . 0.798 ' CZ3' ' HB2' ' A' ' 583' ' ' LEU . 24.1 m95 -54.62 -42.27 70.98 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 107.95 -1.13 . . . . 1.0 107.95 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 644' ' ' LYS . . . . . 1.09 ' CD ' HG22 ' A' ' 609' ' ' VAL . 0.0 OUTLIER -62.56 -55.94 22.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 1.0 109.273 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 11.3 tmtt? -44.12 -53.05 6.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.556 1.16 . . . . 1.0 109.278 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 646' ' ' GLU . . . . . 0.922 ' CG ' HG22 ' A' ' 560' ' ' ILE . 0.3 OUTLIER -68.38 -32.58 72.76 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.521 1.138 . . . . 1.0 110.294 -179.892 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 647' ' ' LEU . . . . . 0.75 HD12 ' C ' ' A' ' 643' ' ' TRP . 1.7 mt -68.15 -61.77 1.7 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.503 1.127 . . . . 1.0 109.245 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 648' ' ' ARG . . . . . 0.472 ' CZ ' ' HB3' ' A' ' 648' ' ' ARG . 1.2 ttp-105 -39.28 -55.13 1.75 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.475 1.109 . . . . 1.0 110.234 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 649' ' ' ASP . . . . . 0.415 ' O ' ' N ' ' A' ' 653' ' ' GLU . 30.0 t0 -61.3 -49.66 76.14 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.484 1.115 . . . . 1.0 109.3 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 650' ' ' ALA . . . . . 0.464 ' O ' ' SD ' ' A' ' 603' ' ' MET . . . -46.45 -50.44 16.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.162 . . . . 1.0 109.267 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 651' ' ' TYR . . . . . 1.296 ' CD2' HG21 ' A' ' 606' ' ' ILE . 19.9 m-30 -71.81 -36.74 70.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.416 1.073 . . . . 1.0 111.027 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 652' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 655' ' ' GLN . 4.9 mmm180 -65.97 -66.34 0.56 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 1.0 110.288 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 653' ' ' GLU . . . . . 0.415 ' N ' ' O ' ' A' ' 649' ' ' ASP . 5.8 mt-10 -40.44 -55.01 2.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.434 1.084 . . . . 1.0 110.258 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 654' ' ' ALA . . . . . 0.532 ' HB1' ' HB3' ' A' ' 604' ' ' GLU . . . -49.56 -41.65 42.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 1.0 109.311 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 655' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 652' ' ' ARG . 72.0 mt-30 . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 1.0 110.274 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 559' ' ' CYS . . . . . 0.676 ' SG ' ' CD1' ' A' ' 584' ' ' PHE . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 108.35 -0.982 . . . . 1.0 108.35 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 560' ' ' ILE . . . . . 0.803 HG22 ' HG2' ' A' ' 646' ' ' GLU . 19.3 mt -86.16 -56.8 4.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.546 1.153 . . . . 1.0 109.241 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 561' ' ' MET . . . . . 0.459 ' SD ' ' CD1' ' A' ' 643' ' ' TRP . 0.0 OUTLIER -144.77 138.17 26.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 1.0 110.992 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 562' ' ' HIS . . . . . . . . . . . . . 2.4 p80 -137.2 147.0 45.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 1.0 109.522 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 563' ' ' GLY . . . . . 0.468 ' N ' ' HZ2' ' A' ' 643' ' ' TRP . . . 174.59 -162.64 32.83 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.533 1.146 . . . . 1.0 110.991 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 564' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -103.71 124.23 48.48 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.537 0.786 . . . . 1.0 111.051 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 565' ' ' MET . . . . . 0.531 ' O ' ' O ' ' A' ' 579' ' ' ARG . 11.6 mtm -128.41 -171.27 2.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 1.0 111.021 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 566' ' ' SER . . . . . 0.584 ' OG ' ' CG ' ' A' ' 633' ' ' GLN . 0.9 OUTLIER -149.31 134.78 18.47 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.497 1.123 . . . . 1.0 110.028 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 567' ' ' LYS . . . . . 0.613 ' HE2' ' CD2' ' A' ' 630' ' ' PHE . 9.4 ttmt . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 1.0 109.281 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 578' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.268 -0.271 . . . . 1.0 110.268 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 579' ' ' ARG . . . . . 0.531 ' O ' ' O ' ' A' ' 565' ' ' MET . 11.4 mmm-85 -134.38 167.1 21.36 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.436 1.085 . . . . 1.0 110.312 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 580' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -85.97 130.93 34.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.45 1.094 . . . . 1.0 110.986 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 581' ' ' PHE . . . . . 0.511 ' O ' ' CD1' ' A' ' 582' ' ' TYR . 1.4 m-85 -114.4 172.79 6.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.349 1.03 . . . . 1.0 110.977 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 582' ' ' TYR . . . . . 0.598 ' O ' ' HA ' ' A' ' 588' ' ' LEU . 5.3 m-85 -157.72 103.72 1.92 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.512 1.133 . . . . 1.0 110.933 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 583' ' ' LEU . . . . . 0.971 HD21 ' HB3' ' A' ' 646' ' ' GLU . 1.4 tt -86.11 110.26 19.42 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.515 1.134 . . . . 1.0 109.348 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 584' ' ' PHE . . . . . 0.676 ' CD1' ' SG ' ' A' ' 559' ' ' CYS . 1.7 m-85 -102.14 174.28 2.98 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 1.0 111.002 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 585' ' ' PRO . . . . . 0.653 ' HA ' HD11 ' A' ' 560' ' ' ILE . 18.0 Cg_endo -75.09 2.06 7.1 Favored 'Trans proline' 0 C--N 1.361 1.232 0 O-C-N 124.398 1.736 . . . . 1.0 110.983 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 586' ' ' ASN . . . . . 0.721 ' HA ' ' CG ' ' A' ' 603' ' ' MET . 68.3 m-80 -165.16 -41.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 1.0 109.31 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 587' ' ' ARG . . . . . 0.574 ' HA ' ' HA ' ' A' ' 602' ' ' THR . 0.1 OUTLIER -87.26 -174.81 5.03 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.494 1.122 . . . . 1.0 110.247 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 588' ' ' LEU . . . . . 0.598 ' HA ' ' O ' ' A' ' 582' ' ' TYR . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.406 1.066 . . . . 1.0 109.343 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.247 0 N-CA-C 109.273 -0.64 . . . . 1.0 109.273 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 602' ' ' THR . . . . . 0.586 HG22 ' O ' ' A' ' 586' ' ' ASN . 0.0 OUTLIER -112.01 -162.59 0.8 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 1.0 110.456 179.925 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 603' ' ' MET . . . . . 0.721 ' CG ' ' HA ' ' A' ' 586' ' ' ASN . 0.0 OUTLIER -124.55 39.05 4.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 1.0 110.961 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 604' ' ' GLU . . . . . 0.442 ' HB3' ' HB1' ' A' ' 654' ' ' ALA . 6.4 pt-20 -125.84 57.95 1.35 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.51 1.131 . . . . 1.0 110.262 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 605' ' ' GLU . . . . . 0.519 ' O ' ' C ' ' A' ' 606' ' ' ILE . 3.4 pt-20 -158.91 -52.77 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 1.0 110.313 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 606' ' ' ILE . . . . . 1.216 HG21 ' CD2' ' A' ' 651' ' ' TYR . 1.0 OUTLIER -31.64 137.09 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 1.0 109.332 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 607' ' ' GLN . . . . . 0.58 ' HG2' ' CB ' ' A' ' 625' ' ' ARG . 0.0 OUTLIER -91.35 -36.32 13.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.43 1.082 . . . . 1.0 110.414 179.932 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 608' ' ' SER . . . . . 0.415 ' HB2' ' HD3' ' A' ' 623' ' ' LYS . 3.1 m -173.51 135.18 0.53 Allowed 'General case' 0 C--N 1.327 -0.383 0 O-C-N 124.45 1.093 . . . . 1.0 109.934 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 609' ' ' VAL . . . . . 0.849 HG22 ' CD ' ' A' ' 644' ' ' LYS . 6.7 p -104.86 127.42 59.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 1.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 610' ' ' GLU . . . . . 0.82 ' CG ' HD23 ' A' ' 621' ' ' LEU . 0.3 OUTLIER -150.77 175.43 12.0 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.394 1.059 . . . . 1.0 110.382 179.923 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 611' ' ' GLU . . . . . 0.429 ' HA ' ' H ' ' A' ' 621' ' ' LEU . 23.0 tt0 -137.98 138.26 38.74 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.495 1.122 . . . . 1.0 110.285 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 612' ' ' THR . . . . . 0.843 HG23 ' HG3' ' A' ' 618' ' ' LYS . 0.1 OUTLIER -96.1 162.45 13.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.388 1.055 . . . . 1.0 110.382 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 613' ' ' GLN . . . . . 0.493 ' O ' HD12 ' A' ' 614' ' ' ILE . 2.2 mp0 -130.1 153.86 48.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 1.0 110.297 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 614' ' ' ILE . . . . . 0.761 HG22 ' O ' ' A' ' 614' ' ' ILE . 0.5 OUTLIER -142.01 85.71 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.55 1.156 . . . . 1.0 109.269 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 615' ' ' LYS . . . . . 0.422 ' CB ' ' O ' ' A' ' 614' ' ' ILE . 10.4 ttpt 82.9 -35.06 0.08 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.542 1.151 . . . . 1.0 109.259 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 616' ' ' GLU . . . . . 0.425 ' H ' ' C ' ' A' ' 614' ' ' ILE . 2.7 tt0 -156.48 -48.0 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 1.0 110.324 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -156.67 143.15 18.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.093 . . . . 1.0 110.327 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 618' ' ' LYS . . . . . 0.843 ' HG3' HG23 ' A' ' 612' ' ' THR . 9.5 tptt -119.96 -93.91 0.51 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.581 1.175 . . . . 1.0 109.354 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 619' ' ' CYS . . . . . 0.462 ' SG ' ' N ' ' A' ' 620' ' ' LEU . 42.0 t -159.26 161.75 36.01 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.521 1.138 . . . . 1.0 108.282 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 620' ' ' LEU . . . . . 1.093 ' CD1' HD12 ' A' ' 640' ' ' LEU . 0.3 OUTLIER -84.22 130.09 34.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.393 1.058 . . . . 1.0 109.317 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 621' ' ' LEU . . . . . 0.82 HD23 ' CG ' ' A' ' 610' ' ' GLU . 0.8 OUTLIER -92.86 157.07 16.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.459 1.099 . . . . 1.0 109.389 179.89 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 622' ' ' LEU . . . . . 0.903 HD12 HD21 ' A' ' 632' ' ' LEU . 0.3 OUTLIER -155.93 86.78 1.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 1.0 109.368 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 623' ' ' LYS . . . . . 0.415 ' HD3' ' HB2' ' A' ' 608' ' ' SER . 0.0 OUTLIER -87.91 138.87 31.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 1.0 109.322 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 624' ' ' ILE . . . . . 0.924 HG22 ' H ' ' A' ' 626' ' ' GLY . 79.1 mt -105.01 145.38 13.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.445 1.091 . . . . 1.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 625' ' ' ARG . . . . . 0.58 ' CB ' ' HG2' ' A' ' 607' ' ' GLN . 4.9 ptm180 -77.36 2.52 15.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 1.0 110.306 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 626' ' ' GLY . . . . . 0.924 ' H ' HG22 ' A' ' 624' ' ' ILE . . . -91.45 -16.59 52.42 Favored Glycine 0 CA--C 1.532 1.13 0 O-C-N 124.537 1.148 . . . . 1.0 110.975 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 106.51 42.13 1.64 Allowed Glycine 0 CA--C 1.53 1.012 0 N-CA-C 110.935 -0.866 . . . . 1.0 110.935 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 628' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -149.8 122.27 8.51 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.557 0.798 . . . . 1.0 109.325 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -101.87 147.55 26.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.573 1.171 . . . . 1.0 110.335 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 630' ' ' PHE . . . . . 0.613 ' CD2' ' HE2' ' A' ' 567' ' ' LYS . 12.1 m-85 -135.34 149.73 49.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.583 1.177 . . . . 1.0 111.009 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 631' ' ' ILE . . . . . 0.565 ' O ' ' CG2' ' A' ' 631' ' ' ILE . 0.1 OUTLIER -132.28 106.27 10.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.5 1.125 . . . . 1.0 109.309 179.952 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 632' ' ' LEU . . . . . 0.903 HD21 HD12 ' A' ' 622' ' ' LEU . 0.3 OUTLIER -114.13 143.69 44.38 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.441 1.088 . . . . 1.0 109.295 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 633' ' ' GLN . . . . . 0.584 ' CG ' ' OG ' ' A' ' 566' ' ' SER . 17.6 pt20 -122.85 178.52 5.0 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.46 1.1 . . . . 1.0 110.322 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 634' ' ' CYS . . . . . 0.551 ' HB3' HD23 ' A' ' 640' ' ' LEU . 23.9 p -152.6 165.33 35.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 1.0 108.289 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 635' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -99.05 -10.69 22.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.559 1.162 . . . . 1.0 109.274 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 636' ' ' SER . . . . . 0.52 ' CB ' ' HG3' ' A' ' 639' ' ' GLU . 0.4 OUTLIER -95.16 179.58 5.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.565 1.166 . . . . 1.0 110.026 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 637' ' ' ASP . . . . . 0.596 ' H ' ' HD2' ' A' ' 638' ' ' PRO . 0.4 OUTLIER -106.12 -57.13 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 1.0 109.251 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 638' ' ' PRO . . . . . 0.596 ' HD2' ' H ' ' A' ' 637' ' ' ASP . 18.4 Cg_endo -74.96 -40.83 0.79 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.562 1.822 . . . . 1.0 111.049 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 639' ' ' GLU . . . . . 0.55 ' C ' ' O ' ' A' ' 638' ' ' PRO . 10.8 mt-10 -25.79 -83.06 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.53 1.143 . . . . 1.0 110.326 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 640' ' ' LEU . . . . . 1.093 HD12 ' CD1' ' A' ' 620' ' ' LEU . 0.2 OUTLIER -48.41 -48.61 37.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 1.0 109.291 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 641' ' ' VAL . . . . . 0.536 HG12 ' N ' ' A' ' 642' ' ' GLN . 0.7 OUTLIER -43.08 -52.9 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 1.0 109.263 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 642' ' ' GLN . . . . . 0.536 ' N ' HG12 ' A' ' 641' ' ' VAL . 0.0 OUTLIER -68.17 -40.07 82.4 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.556 1.16 . . . . 1.0 110.33 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 643' ' ' TRP . . . . . 0.648 ' CZ3' ' CB ' ' A' ' 583' ' ' LEU . 45.7 m95 -58.47 -41.58 85.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.574 1.171 . . . . 1.0 108.018 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 644' ' ' LYS . . . . . 0.849 ' CD ' HG22 ' A' ' 609' ' ' VAL . 0.1 OUTLIER -62.22 -56.58 17.25 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 1.0 109.306 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 645' ' ' LYS . . . . . 0.442 ' CD ' ' OE1' ' A' ' 646' ' ' GLU . 2.6 tmtt? -41.63 -55.47 2.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 1.0 109.328 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 646' ' ' GLU . . . . . 0.971 ' HB3' HD21 ' A' ' 583' ' ' LEU . 0.3 OUTLIER -67.87 -34.61 77.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.571 1.169 . . . . 1.0 110.332 179.914 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 647' ' ' LEU . . . . . 0.888 HD22 ' CZ ' ' A' ' 651' ' ' TYR . 6.8 mt -63.93 -63.68 1.09 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.507 1.129 . . . . 1.0 109.324 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 648' ' ' ARG . . . . . 0.526 ' HG3' ' CG1' ' A' ' 609' ' ' VAL . 6.3 ttm180 -38.94 -52.8 1.78 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 1.0 110.304 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 649' ' ' ASP . . . . . 0.411 ' O ' ' HB2' ' A' ' 653' ' ' GLU . 24.4 t70 -62.97 -40.18 96.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 1.0 109.258 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 650' ' ' ALA . . . . . 0.618 ' HB1' ' SD ' ' A' ' 603' ' ' MET . . . -54.23 -49.16 70.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 1.0 109.255 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 651' ' ' TYR . . . . . 1.216 ' CD2' HG21 ' A' ' 606' ' ' ILE . 3.6 m-30 -75.5 -39.56 58.37 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.524 1.14 . . . . 1.0 111.002 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 652' ' ' ARG . . . . . 0.513 ' O ' ' HB2' ' A' ' 655' ' ' GLN . 0.0 OUTLIER -62.52 -61.28 2.54 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.597 1.186 . . . . 1.0 110.37 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 653' ' ' GLU . . . . . 0.411 ' HB2' ' O ' ' A' ' 649' ' ' ASP . 28.6 mt-10 -46.55 -57.25 4.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 1.0 110.269 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 654' ' ' ALA . . . . . 0.442 ' HB1' ' HB3' ' A' ' 604' ' ' GLU . . . -44.98 -37.38 3.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.569 1.168 . . . . 1.0 109.218 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 655' ' ' GLN . . . . . 0.513 ' HB2' ' O ' ' A' ' 652' ' ' ARG . 57.7 mt-30 . . . . . 0 C--N 1.324 -0.534 0 O-C-N 124.578 1.174 . . . . 1.0 110.27 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 559' ' ' CYS . . . . . . . . . . . . . 40.1 t . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 108.306 -0.998 . . . . 1.0 108.306 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 560' ' ' ILE . . . . . 0.638 HD11 ' HA ' ' A' ' 585' ' ' PRO . 12.1 mt -84.04 -62.18 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.425 1.078 . . . . 1.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 561' ' ' MET . . . . . 0.49 ' SD ' ' NE1' ' A' ' 643' ' ' TRP . 0.0 OUTLIER -131.12 135.96 47.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.551 1.157 . . . . 1.0 110.951 -179.905 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 562' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -135.74 142.91 45.06 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.498 1.124 . . . . 1.0 109.523 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 563' ' ' GLY . . . . . 0.516 ' O ' ' CD1' ' A' ' 580' ' ' TYR . . . 167.53 -161.9 35.69 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.492 1.12 . . . . 1.0 111.05 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 564' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -93.37 127.03 38.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.457 0.74 . . . . 1.0 111.002 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 565' ' ' MET . . . . . 0.583 ' HE1' ' CE3' ' A' ' 643' ' ' TRP . 0.0 OUTLIER -137.57 124.15 20.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.533 1.146 . . . . 1.0 110.969 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 566' ' ' SER . . . . . 0.474 ' O ' ' N ' ' A' ' 633' ' ' GLN . 0.5 OUTLIER -100.79 100.12 10.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 1.0 110.008 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 567' ' ' LYS . . . . . 0.491 ' NZ ' ' CD2' ' A' ' 630' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 1.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 578' ' ' ARG . . . . . . . . . . . . . 5.5 mtt180 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.26 -0.274 . . . . 1.0 110.26 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 579' ' ' ARG . . . . . 0.497 ' O ' ' O ' ' A' ' 565' ' ' MET . 1.1 mtt180 -134.31 160.56 37.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 1.0 110.296 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 580' ' ' TYR . . . . . 0.516 ' CD1' ' O ' ' A' ' 563' ' ' GLY . 0.8 OUTLIER -89.57 125.74 35.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 1.0 111.078 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 581' ' ' PHE . . . . . 0.49 ' CE1' ' O ' ' A' ' 565' ' ' MET . 16.8 m-85 -114.13 171.17 7.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.408 1.067 . . . . 1.0 110.919 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 582' ' ' TYR . . . . . 0.476 ' O ' ' HA ' ' A' ' 588' ' ' LEU . 41.1 m-85 -143.83 118.96 10.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 1.0 111.06 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 583' ' ' LEU . . . . . 0.779 ' HB2' ' CZ3' ' A' ' 643' ' ' TRP . 6.3 tp -88.84 109.82 20.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 1.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 584' ' ' PHE . . . . . 0.484 ' CD2' ' HD2' ' A' ' 585' ' ' PRO . 0.6 OUTLIER -100.24 174.76 2.77 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.443 1.089 . . . . 1.0 111.019 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 585' ' ' PRO . . . . . 0.638 ' HA ' HD11 ' A' ' 560' ' ' ILE . 18.1 Cg_endo -75.07 9.97 1.88 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.486 1.782 . . . . 1.0 110.968 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 586' ' ' ASN . . . . . 0.729 ' O ' HG22 ' A' ' 602' ' ' THR . 6.9 m-20 179.17 -38.99 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 1.0 109.314 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 587' ' ' ARG . . . . . 0.561 ' HA ' ' HA ' ' A' ' 602' ' ' THR . 0.5 OUTLIER -87.52 -170.49 3.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 1.0 110.278 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 588' ' ' LEU . . . . . 0.593 ' C ' HD12 ' A' ' 588' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.43 1.081 . . . . 1.0 109.232 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 109.302 -0.629 . . . . 1.0 109.302 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 602' ' ' THR . . . . . 0.729 HG22 ' O ' ' A' ' 586' ' ' ASN . 0.1 OUTLIER -118.93 -170.85 1.99 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 1.0 110.463 179.933 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 603' ' ' MET . . . . . 0.803 ' SD ' ' HB1' ' A' ' 650' ' ' ALA . 0.2 OUTLIER -125.96 37.36 4.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 1.0 110.961 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 604' ' ' GLU . . . . . 0.572 ' HB3' ' HB1' ' A' ' 654' ' ' ALA . 8.1 pt-20 -124.59 59.64 1.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.568 1.168 . . . . 1.0 110.312 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 605' ' ' GLU . . . . . 0.459 ' O ' ' CG ' ' A' ' 625' ' ' ARG . 2.5 pt-20 -158.9 -48.9 0.06 Allowed 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.499 1.125 . . . . 1.0 110.37 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 606' ' ' ILE . . . . . 1.291 HG21 ' CD2' ' A' ' 651' ' ' TYR . 0.9 OUTLIER -39.7 140.6 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.564 1.165 . . . . 1.0 109.323 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 607' ' ' GLN . . . . . 0.601 ' HG2' ' CB ' ' A' ' 625' ' ' ARG . 0.5 OUTLIER -91.01 -38.79 12.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 1.0 110.346 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 608' ' ' SER . . . . . 0.431 ' HB2' ' HD3' ' A' ' 623' ' ' LYS . 1.1 m -175.1 132.96 0.31 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 1.0 109.969 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 609' ' ' VAL . . . . . 0.967 HG22 ' CD ' ' A' ' 644' ' ' LYS . 6.3 p -104.47 139.7 24.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.486 1.116 . . . . 1.0 109.349 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 610' ' ' GLU . . . . . 0.931 ' CD ' HD23 ' A' ' 621' ' ' LEU . 0.7 OUTLIER -159.43 -171.87 3.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.115 . . . . 1.0 110.236 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 611' ' ' GLU . . . . . 0.648 ' HA ' ' HA ' ' A' ' 620' ' ' LEU . 25.2 tt0 -138.75 143.73 39.14 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.488 1.118 . . . . 1.0 110.283 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 612' ' ' THR . . . . . 0.832 HG23 ' HG3' ' A' ' 618' ' ' LYS . 0.0 OUTLIER -107.31 165.26 11.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 1.0 110.364 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -129.58 159.17 37.18 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.394 1.058 . . . . 1.0 110.314 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 614' ' ' ILE . . . . . 0.788 HG22 ' O ' ' A' ' 614' ' ' ILE . 0.1 OUTLIER -145.97 84.19 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 1.0 109.288 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 615' ' ' LYS . . . . . 0.418 ' HB2' ' O ' ' A' ' 614' ' ' ILE . 35.5 mmtt 81.8 -33.59 0.1 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.498 1.124 . . . . 1.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 616' ' ' GLU . . . . . 0.444 ' H ' ' C ' ' A' ' 614' ' ' ILE . 2.3 tt0 -156.0 -48.63 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.159 . . . . 1.0 110.311 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -157.5 137.74 12.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 1.0 110.276 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 618' ' ' LYS . . . . . 0.832 ' HG3' HG23 ' A' ' 612' ' ' THR . 0.4 OUTLIER -115.09 -95.98 0.46 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 1.0 109.266 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 619' ' ' CYS . . . . . 0.501 ' O ' ' CG ' ' A' ' 611' ' ' GLU . 17.2 m -158.39 -175.97 5.63 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.547 1.154 . . . . 1.0 108.289 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 620' ' ' LEU . . . . . 1.084 ' CD1' HD12 ' A' ' 640' ' ' LEU . 0.2 OUTLIER -101.61 130.12 47.87 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.323 1.015 . . . . 1.0 109.248 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 621' ' ' LEU . . . . . 0.931 HD23 ' CD ' ' A' ' 610' ' ' GLU . 2.8 tp -86.13 161.0 19.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.095 . . . . 1.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 622' ' ' LEU . . . . . 1.016 HD12 HD21 ' A' ' 632' ' ' LEU . 0.9 OUTLIER -158.98 83.05 0.79 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 1.0 109.28 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 623' ' ' LYS . . . . . 0.431 ' HD3' ' HB2' ' A' ' 608' ' ' SER . 0.0 OUTLIER -85.78 140.11 30.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 1.0 109.242 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 624' ' ' ILE . . . . . 0.984 HG22 ' H ' ' A' ' 626' ' ' GLY . 92.1 mt -105.53 145.13 14.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.088 . . . . 1.0 109.343 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 625' ' ' ARG . . . . . 0.601 ' CB ' ' HG2' ' A' ' 607' ' ' GLN . 3.1 ptm180 -78.37 3.02 16.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 1.0 110.263 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 626' ' ' GLY . . . . . 0.984 ' H ' HG22 ' A' ' 624' ' ' ILE . . . -90.23 -13.43 60.27 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.534 1.146 . . . . 1.0 111.027 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 106.69 43.21 1.46 Allowed Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.999 -0.84 . . . . 1.0 110.999 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 628' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -147.45 164.37 33.57 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 0.788 . . . . 1.0 109.247 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 63.5 mt-30 -135.0 147.44 49.7 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.554 1.159 . . . . 1.0 110.34 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 630' ' ' PHE . . . . . 0.491 ' CD2' ' NZ ' ' A' ' 567' ' ' LYS . 1.3 m-85 -136.04 161.94 34.29 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.546 1.154 . . . . 1.0 110.964 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 631' ' ' ILE . . . . . . . . . . . . . 2.2 mm -134.01 140.03 47.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 O-C-N 124.612 1.195 . . . . 1.0 109.344 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 632' ' ' LEU . . . . . 1.016 HD21 HD12 ' A' ' 622' ' ' LEU . 0.4 OUTLIER -124.29 157.38 35.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 1.0 109.313 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 633' ' ' GLN . . . . . 0.474 ' N ' ' O ' ' A' ' 566' ' ' SER . 30.3 tp60 -155.82 140.17 16.7 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 1.0 110.303 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 634' ' ' CYS . . . . . 0.69 ' HB2' HD23 ' A' ' 640' ' ' LEU . 0.1 OUTLIER -149.35 169.25 21.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 1.0 108.213 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 635' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -94.66 -18.67 21.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.568 1.167 . . . . 1.0 109.283 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 636' ' ' SER . . . . . 0.575 ' CB ' ' CG ' ' A' ' 639' ' ' GLU . 0.6 OUTLIER -87.74 139.97 29.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.602 1.189 . . . . 1.0 110.018 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 637' ' ' ASP . . . . . 0.63 ' N ' ' CD ' ' A' ' 638' ' ' PRO . 0.2 OUTLIER -79.94 -44.55 1.5 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.15 . . . . 1.0 109.179 -179.918 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 638' ' ' PRO . . . . . 0.63 ' CD ' ' N ' ' A' ' 637' ' ' ASP . 18.4 Cg_endo -74.99 -52.35 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.392 1.733 . . . . 1.0 111.044 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 639' ' ' GLU . . . . . 0.575 ' CG ' ' CB ' ' A' ' 636' ' ' SER . 32.9 mm-40 -26.02 -76.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 1.0 110.232 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 640' ' ' LEU . . . . . 1.084 HD12 ' CD1' ' A' ' 620' ' ' LEU . 0.3 OUTLIER -53.4 -48.33 68.77 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.41 1.069 . . . . 1.0 109.283 -179.897 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 641' ' ' VAL . . . . . 0.599 HG12 ' N ' ' A' ' 642' ' ' GLN . 0.7 OUTLIER -45.39 -56.67 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 124.426 1.079 . . . . 1.0 109.296 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 642' ' ' GLN . . . . . 0.599 ' N ' HG12 ' A' ' 641' ' ' VAL . 0.0 OUTLIER -64.34 -40.23 95.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 1.0 110.302 -179.921 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 643' ' ' TRP . . . . . 0.779 ' CZ3' ' HB2' ' A' ' 583' ' ' LEU . 18.7 m95 -56.33 -48.03 77.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 1.0 108.029 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 644' ' ' LYS . . . . . 0.967 ' CD ' HG22 ' A' ' 609' ' ' VAL . 0.0 OUTLIER -57.72 -57.68 11.68 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.478 1.111 . . . . 1.0 109.299 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 645' ' ' LYS . . . . . 0.404 ' CD ' ' OE1' ' A' ' 646' ' ' GLU . 0.0 OUTLIER -41.38 -54.88 2.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.653 1.221 . . . . 1.0 109.344 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 646' ' ' GLU . . . . . 0.599 ' CB ' HD23 ' A' ' 583' ' ' LEU . 0.1 OUTLIER -70.35 -30.13 66.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 1.0 110.322 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 647' ' ' LEU . . . . . 0.641 ' HG ' HD11 ' A' ' 583' ' ' LEU . 0.7 OUTLIER -70.0 -62.93 1.19 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.543 1.152 . . . . 1.0 109.316 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 648' ' ' ARG . . . . . 0.555 ' N ' ' O ' ' A' ' 644' ' ' LYS . 4.9 ttt85 -39.12 -54.6 1.73 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 1.0 110.243 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 649' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -61.52 -47.89 83.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 1.0 109.362 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 650' ' ' ALA . . . . . 0.803 ' HB1' ' SD ' ' A' ' 603' ' ' MET . . . -46.97 -47.24 21.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 1.0 109.354 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 651' ' ' TYR . . . . . 1.291 ' CD2' HG21 ' A' ' 606' ' ' ILE . 22.2 m-30 -76.42 -39.04 54.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.441 1.088 . . . . 1.0 110.985 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 652' ' ' ARG . . . . . 0.497 ' O ' ' HB2' ' A' ' 655' ' ' GLN . 2.8 mtt180 -62.97 -61.11 2.62 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.578 1.174 . . . . 1.0 110.306 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 653' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -47.68 -57.67 5.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.572 1.17 . . . . 1.0 110.324 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 654' ' ' ALA . . . . . 0.572 ' HB1' ' HB3' ' A' ' 604' ' ' GLU . . . -44.45 -37.59 3.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.426 1.079 . . . . 1.0 109.311 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 655' ' ' GLN . . . . . 0.497 ' HB2' ' O ' ' A' ' 652' ' ' ARG . 52.1 mt-30 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.434 1.084 . . . . 1.0 110.297 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 559' ' ' CYS . . . . . . . . . . . . . 36.5 t . . . . . 0 N--CA 1.454 -0.254 0 N-CA-C 108.297 -1.001 . . . . 1.0 108.297 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 560' ' ' ILE . . . . . 0.922 HD11 ' HA ' ' A' ' 585' ' ' PRO . 10.6 mt -85.75 -61.11 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.607 1.192 . . . . 1.0 109.242 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 561' ' ' MET . . . . . 0.452 ' SD ' ' CD1' ' A' ' 643' ' ' TRP . 0.0 OUTLIER -139.65 137.01 34.91 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.598 1.186 . . . . 1.0 110.989 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 562' ' ' HIS . . . . . 0.478 ' HB2' ' CE1' ' A' ' 582' ' ' TYR . 9.6 p-80 -140.65 162.03 36.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 1.0 109.551 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 563' ' ' GLY . . . . . 0.54 ' HA2' ' CZ ' ' A' ' 580' ' ' TYR . . . 146.97 -159.78 28.1 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.427 1.08 . . . . 1.0 111.104 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 564' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -85.3 126.51 33.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 0.779 . . . . 1.0 111.08 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 565' ' ' MET . . . . . 0.641 ' O ' ' O ' ' A' ' 579' ' ' ARG . 0.0 OUTLIER -140.88 122.12 14.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 1.0 111.025 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 566' ' ' SER . . . . . 0.403 ' HB2' ' HA ' ' A' ' 578' ' ' ARG . 0.9 OUTLIER -85.26 130.67 34.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 1.0 110.03 -179.949 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 567' ' ' LYS . . . . . 0.554 ' HE2' ' CZ ' ' A' ' 581' ' ' PHE . 7.3 ttpt . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 1.0 109.326 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 578' ' ' ARG . . . . . 0.403 ' HA ' ' HB2' ' A' ' 566' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.322 -0.251 . . . . 1.0 110.322 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 579' ' ' ARG . . . . . 0.641 ' O ' ' O ' ' A' ' 565' ' ' MET . 16.1 mtp180 -141.77 165.64 26.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.341 1.025 . . . . 1.0 110.255 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 580' ' ' TYR . . . . . 0.54 ' CZ ' ' HA2' ' A' ' 563' ' ' GLY . 1.0 OUTLIER -96.45 126.03 41.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.409 1.068 . . . . 1.0 111.035 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 581' ' ' PHE . . . . . 0.554 ' CZ ' ' HE2' ' A' ' 567' ' ' LYS . 10.8 m-85 -118.64 176.39 5.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.15 . . . . 1.0 110.985 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 582' ' ' TYR . . . . . 0.478 ' CE1' ' HB2' ' A' ' 562' ' ' HIS . 0.4 OUTLIER -150.56 107.89 3.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 1.0 111.039 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 583' ' ' LEU . . . . . 0.872 ' O ' HD23 ' A' ' 583' ' ' LEU . 0.4 OUTLIER -87.88 113.7 23.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 1.0 109.282 -179.928 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 584' ' ' PHE . . . . . 0.671 ' CD2' ' HD2' ' A' ' 585' ' ' PRO . 0.1 OUTLIER -94.98 -177.02 0.61 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.425 1.078 . . . . 1.0 111.031 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 585' ' ' PRO . . . . . 0.922 ' HA ' HD11 ' A' ' 560' ' ' ILE . 18.2 Cg_endo -74.95 14.55 0.83 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.509 1.794 . . . . 1.0 111.077 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 586' ' ' ASN . . . . . 1.043 ' O ' ' HG3' ' A' ' 603' ' ' MET . 19.2 m-20 171.95 -44.97 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.442 1.089 . . . . 1.0 109.361 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 587' ' ' ARG . . . . . 0.628 ' O ' ' HB2' ' A' ' 584' ' ' PHE . 0.0 OUTLIER -93.41 -173.19 3.14 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.483 1.114 . . . . 1.0 110.295 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 588' ' ' LEU . . . . . 0.466 HD11 ' HD1' ' A' ' 581' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 1.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 4.1 mt . . . . . 0 N--CA 1.454 -0.24 0 N-CA-C 109.219 -0.66 . . . . 1.0 109.219 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 602' ' ' THR . . . . . 0.472 HG22 ' O ' ' A' ' 586' ' ' ASN . 0.2 OUTLIER -117.89 -147.93 0.42 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 1.0 110.461 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 603' ' ' MET . . . . . 1.043 ' HG3' ' O ' ' A' ' 586' ' ' ASN . 0.0 OUTLIER -135.99 41.7 2.65 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.545 1.153 . . . . 1.0 110.999 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 604' ' ' GLU . . . . . 0.406 ' O ' ' HG3' ' A' ' 604' ' ' GLU . 14.2 pt-20 -124.8 55.84 1.33 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.542 1.151 . . . . 1.0 110.382 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 605' ' ' GLU . . . . . 0.613 ' HB2' HG23 ' A' ' 624' ' ' ILE . 3.2 pt-20 -158.22 -55.62 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 1.0 110.29 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 606' ' ' ILE . . . . . 1.167 HG21 ' CD2' ' A' ' 651' ' ' TYR . 1.3 mp -35.82 130.38 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.426 1.079 . . . . 1.0 109.309 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 607' ' ' GLN . . . . . 0.551 ' CG ' ' CB ' ' A' ' 625' ' ' ARG . 0.0 OUTLIER -87.64 -36.07 17.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 1.0 110.391 179.91 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 2.7 m -173.29 139.27 0.77 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.563 1.164 . . . . 1.0 110.023 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 609' ' ' VAL . . . . . 0.915 HG22 ' CD ' ' A' ' 644' ' ' LYS . 2.7 p -108.75 135.55 47.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.454 1.096 . . . . 1.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 610' ' ' GLU . . . . . 0.795 ' HG3' HD23 ' A' ' 621' ' ' LEU . 0.5 OUTLIER -152.54 -170.17 3.56 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.48 1.112 . . . . 1.0 110.301 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 611' ' ' GLU . . . . . 0.505 ' HA ' ' HA ' ' A' ' 620' ' ' LEU . 22.2 tt0 -141.01 144.67 35.15 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.498 1.123 . . . . 1.0 110.291 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 612' ' ' THR . . . . . 0.838 HG23 ' HG3' ' A' ' 618' ' ' LYS . 0.0 OUTLIER -108.21 165.44 11.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 1.0 110.394 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 7.6 mp0 -128.32 160.22 32.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 1.0 110.323 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 614' ' ' ILE . . . . . 0.795 HG22 ' O ' ' A' ' 614' ' ' ILE . 0.1 OUTLIER -144.57 81.37 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.574 1.172 . . . . 1.0 109.24 -179.921 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 615' ' ' LYS . . . . . 0.449 ' HB2' ' O ' ' A' ' 614' ' ' ILE . 7.1 mmtt 80.76 -30.23 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 1.0 109.374 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 616' ' ' GLU . . . . . 0.46 ' H ' ' C ' ' A' ' 614' ' ' ILE . 1.0 OUTLIER -157.12 -48.83 0.07 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.502 1.126 . . . . 1.0 110.257 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 617' ' ' ARG . . . . . 0.446 ' NH2' ' OD1' ' A' ' 637' ' ' ASP . 0.0 OUTLIER -157.97 136.76 11.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.115 . . . . 1.0 110.335 179.945 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 618' ' ' LYS . . . . . 0.838 ' HG3' HG23 ' A' ' 612' ' ' THR . 11.0 tptt -113.72 -98.96 0.43 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.577 1.173 . . . . 1.0 109.325 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 619' ' ' CYS . . . . . 0.481 ' SG ' ' HB2' ' A' ' 633' ' ' GLN . 96.3 m -156.04 -176.78 6.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.443 1.089 . . . . 1.0 108.227 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 620' ' ' LEU . . . . . 1.07 ' CD1' HD12 ' A' ' 640' ' ' LEU . 0.3 OUTLIER -97.24 135.47 39.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.152 . . . . 1.0 109.306 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 621' ' ' LEU . . . . . 0.808 HD12 ' H ' ' A' ' 622' ' ' LEU . 2.3 tp -93.98 160.17 14.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.408 1.067 . . . . 1.0 109.17 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 622' ' ' LEU . . . . . 1.042 HD13 HD21 ' A' ' 632' ' ' LEU . 0.0 OUTLIER -158.03 79.92 0.84 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.396 1.06 . . . . 1.0 109.277 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 623' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.82 138.07 37.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 1.0 109.212 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 624' ' ' ILE . . . . . 0.983 HG22 ' H ' ' A' ' 626' ' ' GLY . 45.3 mt -104.22 144.17 14.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 1.0 109.312 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 625' ' ' ARG . . . . . 0.551 ' CB ' ' CG ' ' A' ' 607' ' ' GLN . 4.1 ptm180 -79.07 3.56 17.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 1.0 110.221 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 626' ' ' GLY . . . . . 0.983 ' H ' HG22 ' A' ' 624' ' ' ILE . . . -88.98 -19.54 50.55 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.457 1.098 . . . . 1.0 111.039 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 115.02 38.62 1.02 Allowed Glycine 0 CA--C 1.53 0.993 0 N-CA-C 111.024 -0.831 . . . . 1.0 111.024 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 628' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -142.94 170.9 14.83 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 0.772 . . . . 1.0 109.25 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -142.89 136.48 28.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 1.0 110.322 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 630' ' ' PHE . . . . . 0.448 ' O ' ' N ' ' A' ' 622' ' ' LEU . 0.4 OUTLIER -122.49 148.37 45.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.147 . . . . 1.0 110.992 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 631' ' ' ILE . . . . . 0.504 ' O ' HG22 ' A' ' 631' ' ' ILE . 0.0 OUTLIER -134.8 111.02 13.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 1.0 109.363 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 632' ' ' LEU . . . . . 1.042 HD21 HD13 ' A' ' 622' ' ' LEU . 0.2 OUTLIER -121.41 157.96 29.37 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.495 1.122 . . . . 1.0 109.316 -179.945 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 633' ' ' GLN . . . . . 0.532 ' HG3' ' N ' ' A' ' 634' ' ' CYS . 25.3 tp60 -149.47 162.11 40.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 1.0 110.302 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 634' ' ' CYS . . . . . 0.532 ' N ' ' HG3' ' A' ' 633' ' ' GLN . 0.8 OUTLIER -143.04 144.34 32.24 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 1.0 108.316 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 635' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.49 -21.22 66.61 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.541 1.151 . . . . 1.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 636' ' ' SER . . . . . 0.519 ' HB2' ' CB ' ' A' ' 639' ' ' GLU . 4.1 m -89.62 160.09 16.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.091 . . . . 1.0 110.024 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 637' ' ' ASP . . . . . 0.626 ' N ' ' CD ' ' A' ' 638' ' ' PRO . 0.2 OUTLIER -89.54 -44.93 0.42 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 1.0 109.298 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 638' ' ' PRO . . . . . 0.626 ' CD ' ' N ' ' A' ' 637' ' ' ASP . 18.4 Cg_endo -74.98 -56.23 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.428 1.752 . . . . 1.0 111.022 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 639' ' ' GLU . . . . . 0.595 ' C ' ' O ' ' A' ' 638' ' ' PRO . 4.7 tt0 -20.7 -82.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.596 1.185 . . . . 1.0 110.342 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 640' ' ' LEU . . . . . 1.07 HD12 ' CD1' ' A' ' 620' ' ' LEU . 0.1 OUTLIER -49.74 -48.49 50.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.156 . . . . 1.0 109.275 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 641' ' ' VAL . . . . . 0.589 HG12 ' N ' ' A' ' 642' ' ' GLN . 0.8 OUTLIER -45.19 -55.59 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 1.0 109.345 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 642' ' ' GLN . . . . . 0.589 ' N ' HG12 ' A' ' 641' ' ' VAL . 0.0 OUTLIER -63.79 -40.41 96.59 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.486 1.117 . . . . 1.0 110.282 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 643' ' ' TRP . . . . . 0.544 ' CZ3' ' CB ' ' A' ' 583' ' ' LEU . 34.8 m95 -55.76 -44.28 77.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 1.0 107.934 -179.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 644' ' ' LYS . . . . . 0.915 ' CD ' HG22 ' A' ' 609' ' ' VAL . 12.5 ttpt -61.28 -60.91 3.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.563 1.164 . . . . 1.0 109.355 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 645' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 644' ' ' LYS . 0.0 OUTLIER -38.38 -53.46 1.51 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 1.0 109.312 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 646' ' ' GLU . . . . . 0.554 ' HG2' HG22 ' A' ' 560' ' ' ILE . 0.4 OUTLIER -72.46 -30.53 64.64 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.426 1.079 . . . . 1.0 110.238 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 647' ' ' LEU . . . . . 0.93 HD22 ' OH ' ' A' ' 651' ' ' TYR . 11.4 mt -70.52 -60.16 2.42 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.459 1.099 . . . . 1.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 648' ' ' ARG . . . . . 0.569 ' N ' ' O ' ' A' ' 644' ' ' LYS . 11.1 ttm180 -40.81 -55.06 2.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 1.0 110.355 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 649' ' ' ASP . . . . . 0.415 ' OD1' ' CD ' ' A' ' 653' ' ' GLU . 33.7 t0 -57.71 -46.48 84.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.46 1.1 . . . . 1.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 650' ' ' ALA . . . . . 0.519 ' O ' ' SD ' ' A' ' 603' ' ' MET . . . -48.89 -50.36 35.36 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.512 1.133 . . . . 1.0 109.234 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 651' ' ' TYR . . . . . 1.167 ' CD2' HG21 ' A' ' 606' ' ' ILE . 2.7 m-30 -72.36 -37.21 68.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 1.0 110.954 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 652' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 655' ' ' GLN . 17.3 mtt180 -64.02 -64.99 0.74 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.417 1.073 . . . . 1.0 110.255 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 653' ' ' GLU . . . . . 0.415 ' CD ' ' OD1' ' A' ' 649' ' ' ASP . 0.1 OUTLIER -41.16 -55.45 2.63 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.456 1.098 . . . . 1.0 110.284 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 654' ' ' ALA . . . . . 0.943 ' HB2' ' SD ' ' A' ' 603' ' ' MET . . . -47.82 -39.88 19.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 1.0 109.255 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 655' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 652' ' ' ARG . 91.2 mt-30 . . . . . 0 C--N 1.324 -0.526 0 O-C-N 124.496 1.122 . . . . 1.0 110.249 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 559' ' ' CYS . . . . . 0.487 ' SG ' ' CD2' ' A' ' 582' ' ' TYR . 42.4 t . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 108.245 -1.02 . . . . 1.0 108.245 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 560' ' ' ILE . . . . . 0.748 HD11 ' HA ' ' A' ' 585' ' ' PRO . 10.7 mt -92.5 -58.03 3.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 1.0 109.309 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 561' ' ' MET . . . . . 0.55 ' CG ' ' OE1' ' A' ' 646' ' ' GLU . 0.0 OUTLIER -117.29 142.61 46.86 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.503 1.127 . . . . 1.0 110.992 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 562' ' ' HIS . . . . . . . . . . . . . 13.7 p-80 -146.02 163.13 36.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 1.0 109.581 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 563' ' ' GLY . . . . . 0.435 ' O ' ' CD1' ' A' ' 580' ' ' TYR . . . 128.7 -159.5 22.11 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.493 1.121 . . . . 1.0 110.981 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 564' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -91.34 127.69 36.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 0.792 . . . . 1.0 110.966 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 565' ' ' MET . . . . . 0.612 ' O ' ' O ' ' A' ' 579' ' ' ARG . 0.0 OUTLIER -143.29 125.86 15.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 1.0 111.083 179.939 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 566' ' ' SER . . . . . 0.537 ' OG ' ' O ' ' A' ' 633' ' ' GLN . 0.1 OUTLIER -100.3 142.99 31.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.123 . . . . 1.0 110.012 -179.944 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 567' ' ' LYS . . . . . 0.52 ' HG2' ' O ' ' A' ' 631' ' ' ILE . 0.6 OUTLIER . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.377 1.048 . . . . 1.0 109.242 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 578' ' ' ARG . . . . . 0.467 ' HA ' ' HB2' ' A' ' 566' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.341 -0.244 . . . . 1.0 110.341 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 579' ' ' ARG . . . . . 0.612 ' O ' ' O ' ' A' ' 565' ' ' MET . 0.7 OUTLIER -136.26 161.94 34.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.393 1.058 . . . . 1.0 110.35 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 580' ' ' TYR . . . . . 0.435 ' CD1' ' O ' ' A' ' 563' ' ' GLY . 0.3 OUTLIER -88.71 131.78 34.87 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.471 1.107 . . . . 1.0 111.065 179.94 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 581' ' ' PHE . . . . . 0.461 ' HB2' ' HB2' ' A' ' 565' ' ' MET . 2.5 m-85 -124.09 160.09 28.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.425 1.078 . . . . 1.0 111.019 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 582' ' ' TYR . . . . . 0.487 ' CD2' ' SG ' ' A' ' 559' ' ' CYS . 0.1 OUTLIER -138.97 115.45 10.52 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.614 1.196 . . . . 1.0 110.993 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 583' ' ' LEU . . . . . 0.756 ' HB2' ' CZ3' ' A' ' 643' ' ' TRP . 7.9 tp -88.93 110.38 21.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 1.0 109.262 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 584' ' ' PHE . . . . . 0.617 ' HB2' ' C ' ' A' ' 587' ' ' ARG . 6.7 m-85 -96.43 171.7 5.93 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.439 1.087 . . . . 1.0 110.959 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 585' ' ' PRO . . . . . 0.748 ' HA ' HD11 ' A' ' 560' ' ' ILE . 18.3 Cg_endo -75.02 7.32 2.92 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.509 1.794 . . . . 1.0 111.016 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 586' ' ' ASN . . . . . 0.709 ' HA ' ' CG ' ' A' ' 603' ' ' MET . 37.2 m-20 -174.29 -38.45 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 1.0 109.349 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 587' ' ' ARG . . . . . 0.62 ' HA ' ' HA ' ' A' ' 602' ' ' THR . 0.8 OUTLIER -91.07 -162.64 0.93 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 1.0 110.236 -179.942 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 588' ' ' LEU . . . . . 0.565 ' C ' HD12 ' A' ' 588' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 1.0 109.321 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 1.5 mm? . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.239 -0.652 . . . . 1.0 109.239 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 602' ' ' THR . . . . . 0.62 ' HA ' ' HA ' ' A' ' 587' ' ' ARG . 0.0 OUTLIER -116.28 -166.33 1.14 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.416 1.072 . . . . 1.0 110.444 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 603' ' ' MET . . . . . 0.709 ' CG ' ' HA ' ' A' ' 586' ' ' ASN . 0.1 OUTLIER -127.0 38.54 4.08 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.543 1.152 . . . . 1.0 111.043 -179.934 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 604' ' ' GLU . . . . . 0.595 ' HB3' ' HB1' ' A' ' 654' ' ' ALA . 9.7 pt-20 -126.72 59.56 1.37 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.425 1.078 . . . . 1.0 110.348 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 605' ' ' GLU . . . . . 0.477 ' O ' ' C ' ' A' ' 606' ' ' ILE . 3.5 pt-20 -159.01 -57.17 0.07 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.144 . . . . 1.0 110.306 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 606' ' ' ILE . . . . . 1.227 HG21 ' CD2' ' A' ' 651' ' ' TYR . 1.2 mp -34.58 136.49 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 1.0 109.317 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 607' ' ' GLN . . . . . 0.518 ' HG3' ' HA ' ' A' ' 625' ' ' ARG . 0.0 OUTLIER -88.84 -37.94 14.98 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.57 1.169 . . . . 1.0 110.296 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 1.9 m -175.1 134.81 0.34 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 1.0 110.063 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 609' ' ' VAL . . . . . 0.969 HG22 ' CD ' ' A' ' 644' ' ' LYS . 3.9 p -107.6 141.68 22.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.097 . . . . 1.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 610' ' ' GLU . . . . . 0.822 ' HG3' HD23 ' A' ' 621' ' ' LEU . 0.3 OUTLIER -157.77 -167.29 2.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 1.0 110.297 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 611' ' ' GLU . . . . . 0.647 ' HA ' ' HA ' ' A' ' 620' ' ' LEU . 28.6 tt0 -138.28 147.12 43.28 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.489 1.118 . . . . 1.0 110.294 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 612' ' ' THR . . . . . 0.713 HG23 ' HG3' ' A' ' 618' ' ' LYS . 0.0 OUTLIER -112.27 163.09 14.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.415 1.072 . . . . 1.0 110.419 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 5.9 mp0 -127.42 163.79 23.27 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 1.0 110.322 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 614' ' ' ILE . . . . . 0.8 HG22 ' O ' ' A' ' 614' ' ' ILE . 0.2 OUTLIER -147.53 82.97 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 1.0 109.325 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 615' ' ' LYS . . . . . 0.425 ' HB2' ' O ' ' A' ' 614' ' ' ILE . 13.7 mttt 81.32 -31.36 0.11 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.437 1.086 . . . . 1.0 109.297 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 616' ' ' GLU . . . . . 0.46 ' H ' ' C ' ' A' ' 614' ' ' ILE . 0.7 OUTLIER -156.86 -49.6 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 1.0 110.366 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 37.7 ttm-85 -157.83 138.15 12.68 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.588 1.18 . . . . 1.0 110.387 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 618' ' ' LYS . . . . . 0.767 ' HG2' HD12 ' A' ' 614' ' ' ILE . 0.0 OUTLIER -117.49 -98.64 0.45 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 1.0 109.299 -179.948 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 619' ' ' CYS . . . . . 0.484 ' O ' ' CG ' ' A' ' 611' ' ' GLU . 1.6 m -157.12 -170.22 3.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 1.0 108.198 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 620' ' ' LEU . . . . . 1.13 HD13 HD12 ' A' ' 640' ' ' LEU . 0.1 OUTLIER -99.67 154.47 18.27 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.521 1.138 . . . . 1.0 109.359 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 621' ' ' LEU . . . . . 0.822 HD23 ' HG3' ' A' ' 610' ' ' GLU . 0.6 OUTLIER -112.26 159.08 18.97 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.498 1.124 . . . . 1.0 109.357 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 622' ' ' LEU . . . . . 0.93 ' CD1' HD11 ' A' ' 632' ' ' LEU . 6.6 mt -153.83 87.25 1.21 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.561 1.163 . . . . 1.0 109.366 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 623' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.26 135.07 33.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 1.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 624' ' ' ILE . . . . . 0.967 HG22 ' H ' ' A' ' 626' ' ' GLY . 65.2 mt -103.24 143.88 14.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.097 . . . . 1.0 109.272 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 625' ' ' ARG . . . . . 0.518 ' HA ' ' HG3' ' A' ' 607' ' ' GLN . 0.0 OUTLIER -78.89 3.45 16.92 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.5 1.125 . . . . 1.0 110.317 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 626' ' ' GLY . . . . . 0.967 ' H ' HG22 ' A' ' 624' ' ' ILE . . . -91.55 -27.58 17.07 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.563 1.164 . . . . 1.0 110.957 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 123.24 46.5 0.27 Allowed Glycine 0 CA--C 1.529 0.94 0 N-CA-C 111.003 -0.839 . . . . 1.0 111.003 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 628' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.64 169.57 18.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 0.755 . . . . 1.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 11.5 mp0 -145.34 142.83 29.75 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.532 1.145 . . . . 1.0 110.319 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 630' ' ' PHE . . . . . 0.505 ' CG ' ' HE2' ' A' ' 567' ' ' LYS . 0.8 OUTLIER -131.74 164.31 26.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 1.0 111.044 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 631' ' ' ILE . . . . . 0.52 ' O ' ' HG2' ' A' ' 567' ' ' LYS . 0.3 OUTLIER -143.74 111.05 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 1.0 109.32 -179.926 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 632' ' ' LEU . . . . . 0.93 HD11 ' CD1' ' A' ' 622' ' ' LEU . 0.7 OUTLIER -85.81 163.14 18.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.565 1.166 . . . . 1.0 109.256 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 633' ' ' GLN . . . . . 0.537 ' O ' ' OG ' ' A' ' 566' ' ' SER . 2.5 tm0? -156.31 120.6 4.49 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.451 1.094 . . . . 1.0 110.344 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 634' ' ' CYS . . . . . 0.919 ' HB3' HD23 ' A' ' 640' ' ' LEU . 2.7 p -127.0 154.18 44.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 1.0 108.283 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 635' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.72 -10.46 53.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 1.0 109.356 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 636' ' ' SER . . . . . 0.54 ' HB2' ' HB2' ' A' ' 639' ' ' GLU . 17.1 m -96.32 -174.56 3.1 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.546 1.154 . . . . 1.0 110.036 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 637' ' ' ASP . . . . . 0.726 ' H ' ' HD2' ' A' ' 638' ' ' PRO . 0.4 OUTLIER -110.76 -49.61 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.16 . . . . 1.0 109.341 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 638' ' ' PRO . . . . . 0.726 ' HD2' ' H ' ' A' ' 637' ' ' ASP . 18.3 Cg_endo -74.98 -50.34 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.557 1.819 . . . . 1.0 111.009 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 639' ' ' GLU . . . . . 0.58 ' C ' ' O ' ' A' ' 638' ' ' PRO . 38.6 mm-40 -21.93 -81.09 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.576 1.172 . . . . 1.0 110.332 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 640' ' ' LEU . . . . . 1.13 HD12 HD13 ' A' ' 620' ' ' LEU . 0.1 OUTLIER -52.89 -47.86 67.6 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 1.0 109.269 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 641' ' ' VAL . . . . . 0.568 HG12 ' N ' ' A' ' 642' ' ' GLN . 0.5 OUTLIER -43.98 -55.53 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.592 1.182 . . . . 1.0 109.347 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 642' ' ' GLN . . . . . 0.568 ' N ' HG12 ' A' ' 641' ' ' VAL . 0.0 OUTLIER -65.72 -39.57 91.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.602 1.189 . . . . 1.0 110.293 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 643' ' ' TRP . . . . . 0.756 ' CZ3' ' HB2' ' A' ' 583' ' ' LEU . 22.6 m95 -56.03 -43.14 77.53 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.968 -1.123 . . . . 1.0 107.968 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 644' ' ' LYS . . . . . 0.969 ' CD ' HG22 ' A' ' 609' ' ' VAL . 0.1 OUTLIER -62.8 -61.03 2.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 1.0 109.315 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 645' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 644' ' ' LYS . 7.4 tmtt? -38.17 -51.13 1.44 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.426 1.079 . . . . 1.0 109.337 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 646' ' ' GLU . . . . . 0.661 ' OE1' HG22 ' A' ' 560' ' ' ILE . 22.3 mt-10 -73.05 -34.21 66.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 1.0 110.342 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 647' ' ' LEU . . . . . 0.573 ' HG ' HD11 ' A' ' 583' ' ' LEU . 0.5 OUTLIER -67.54 -60.39 2.6 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.553 1.158 . . . . 1.0 109.337 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 648' ' ' ARG . . . . . 0.533 ' N ' ' O ' ' A' ' 644' ' ' LYS . 0.3 OUTLIER -40.83 -55.13 2.53 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.539 1.15 . . . . 1.0 110.277 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 649' ' ' ASP . . . . . 0.423 ' O ' ' N ' ' A' ' 653' ' ' GLU . 37.5 t0 -63.13 -46.55 86.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 1.0 109.354 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 650' ' ' ALA . . . . . 0.482 ' HB1' ' SD ' ' A' ' 603' ' ' MET . . . -47.6 -46.71 28.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.086 . . . . 1.0 109.204 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 651' ' ' TYR . . . . . 1.227 ' CD2' HG21 ' A' ' 606' ' ' ILE . 21.5 m-30 -75.61 -41.73 53.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.122 . . . . 1.0 111.037 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 652' ' ' ARG . . . . . 0.52 ' O ' ' HB2' ' A' ' 655' ' ' GLN . 0.2 OUTLIER -61.13 -62.13 2.06 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.545 1.153 . . . . 1.0 110.285 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 653' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' A' ' 649' ' ' ASP . 2.3 mt-10 -45.42 -56.81 4.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.614 1.196 . . . . 1.0 110.217 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 654' ' ' ALA . . . . . 0.595 ' HB1' ' HB3' ' A' ' 604' ' ' GLU . . . -46.17 -35.35 5.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.572 1.17 . . . . 1.0 109.315 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 655' ' ' GLN . . . . . 0.52 ' HB2' ' O ' ' A' ' 652' ' ' ARG . 57.6 mt-30 . . . . . 0 C--N 1.324 -0.538 0 O-C-N 124.501 1.125 . . . . 1.0 110.267 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 559' ' ' CYS . . . . . 0.469 ' HA ' ' HD3' ' A' ' 585' ' ' PRO . 2.0 t . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 108.238 -1.023 . . . . 1.0 108.238 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 560' ' ' ILE . . . . . 0.829 HD11 ' HA ' ' A' ' 585' ' ' PRO . 6.4 mt -100.51 -55.93 5.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.599 1.187 . . . . 1.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 561' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -150.51 150.6 31.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 1.0 111.026 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 562' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -150.9 156.87 42.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.115 . . . . 1.0 109.632 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 563' ' ' GLY . . . . . . . . . . . . . . . 165.34 -167.35 38.83 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.564 1.165 . . . . 1.0 111.017 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 564' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -98.26 121.39 40.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 0.785 . . . . 1.0 110.953 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 565' ' ' MET . . . . . 0.627 ' HA ' ' SG ' ' A' ' 634' ' ' CYS . 3.2 mtm -125.05 -156.15 0.71 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 1.0 110.979 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -154.35 133.35 12.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 1.0 110.044 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 567' ' ' LYS . . . . . 0.474 ' HE2' ' CD1' ' A' ' 630' ' ' PHE . 6.7 ttmt . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.421 1.076 . . . . 1.0 109.246 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 578' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 110.328 -0.249 . . . . 1.0 110.328 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 579' ' ' ARG . . . . . 0.472 ' O ' ' O ' ' A' ' 565' ' ' MET . 1.7 mtt-85 -126.52 165.1 19.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 1.0 110.283 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 580' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -87.86 125.86 34.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 1.0 111.034 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 581' ' ' PHE . . . . . 0.548 ' CE2' HD11 ' A' ' 588' ' ' LEU . 0.2 OUTLIER -113.12 160.3 18.35 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.454 1.096 . . . . 1.0 111.045 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 582' ' ' TYR . . . . . 0.545 ' O ' ' HA ' ' A' ' 588' ' ' LEU . 1.7 m-85 -146.74 107.6 4.15 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.564 1.165 . . . . 1.0 110.905 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 583' ' ' LEU . . . . . 0.818 ' O ' HD23 ' A' ' 583' ' ' LEU . 0.7 OUTLIER -89.99 112.06 23.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.532 1.145 . . . . 1.0 109.341 179.874 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 584' ' ' PHE . . . . . 0.468 ' CD2' ' HD2' ' A' ' 585' ' ' PRO . 0.8 OUTLIER -101.59 176.0 2.07 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 1.0 110.971 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 585' ' ' PRO . . . . . 0.829 ' HA ' HD11 ' A' ' 560' ' ' ILE . 18.3 Cg_endo -74.93 3.09 5.88 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.508 1.794 . . . . 1.0 111.031 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 586' ' ' ASN . . . . . 0.644 ' HA ' ' CG ' ' A' ' 603' ' ' MET . 56.8 m-80 -168.96 -42.2 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.443 1.089 . . . . 1.0 109.239 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 587' ' ' ARG . . . . . 0.489 ' O ' ' CB ' ' A' ' 588' ' ' LEU . 1.3 mtp85 -88.39 -171.67 3.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 1.0 110.26 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 588' ' ' LEU . . . . . 0.732 ' C ' HD12 ' A' ' 588' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 1.0 109.219 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 601' ' ' LEU . . . . . 0.434 HD23 ' OE1' ' A' ' 605' ' ' GLU . 1.6 mp . . . . . 0 N--CA 1.454 -0.254 0 N-CA-C 109.316 -0.624 . . . . 1.0 109.316 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 602' ' ' THR . . . . . 0.513 HG22 ' O ' ' A' ' 586' ' ' ASN . 0.0 OUTLIER -118.23 -169.71 1.75 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 1.0 110.387 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 603' ' ' MET . . . . . 0.834 ' SD ' ' HB1' ' A' ' 650' ' ' ALA . 0.3 OUTLIER -113.96 39.74 2.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 1.0 110.984 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 604' ' ' GLU . . . . . 0.568 ' HB3' ' HB1' ' A' ' 654' ' ' ALA . 12.5 pt-20 -124.95 54.52 1.41 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.402 1.064 . . . . 1.0 110.323 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 605' ' ' GLU . . . . . 0.486 ' O ' ' C ' ' A' ' 606' ' ' ILE . 2.9 pt-20 -157.93 -50.47 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 1.0 110.308 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 606' ' ' ILE . . . . . 1.37 HG21 ' CD2' ' A' ' 651' ' ' TYR . 0.9 OUTLIER -33.49 133.69 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.558 1.161 . . . . 1.0 109.372 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 607' ' ' GLN . . . . . 0.632 ' HG2' ' CB ' ' A' ' 625' ' ' ARG . 0.5 OUTLIER -90.69 -37.7 13.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 1.0 110.312 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 4.7 m -172.45 128.07 0.54 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.437 1.085 . . . . 1.0 109.977 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 609' ' ' VAL . . . . . 0.792 HG22 ' CD ' ' A' ' 644' ' ' LYS . 7.6 p -93.71 130.53 42.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 1.0 109.326 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 610' ' ' GLU . . . . . 0.845 ' CD ' HD23 ' A' ' 621' ' ' LEU . 0.9 OUTLIER -150.45 -176.14 5.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 1.0 110.261 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 611' ' ' GLU . . . . . 0.506 ' HA ' ' HA ' ' A' ' 620' ' ' LEU . 14.5 tt0 -143.2 133.95 25.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 1.0 110.356 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 612' ' ' THR . . . . . 0.738 HG23 ' HG3' ' A' ' 618' ' ' LYS . 0.0 OUTLIER -90.16 161.61 15.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.564 1.165 . . . . 1.0 110.35 -179.937 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 8.0 mp0 -128.36 155.35 44.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 1.0 110.324 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 614' ' ' ILE . . . . . 0.788 HG22 ' O ' ' A' ' 614' ' ' ILE . 0.2 OUTLIER -142.51 83.59 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.559 1.162 . . . . 1.0 109.331 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 615' ' ' LYS . . . . . 0.43 ' HB2' ' O ' ' A' ' 614' ' ' ILE . 9.8 mmtt 83.24 -32.45 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 1.0 109.263 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 616' ' ' GLU . . . . . 0.433 ' H ' ' C ' ' A' ' 614' ' ' ILE . 1.0 OUTLIER -156.97 -50.25 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 1.0 110.358 -179.929 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 1.8 ttt85 -157.71 138.43 13.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.564 1.165 . . . . 1.0 110.245 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 618' ' ' LYS . . . . . 0.777 ' HB2' HD12 ' A' ' 614' ' ' ILE . 7.5 tptt -115.24 -95.69 0.46 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.4 1.063 . . . . 1.0 109.347 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 619' ' ' CYS . . . . . 0.463 ' HB2' HD12 ' A' ' 631' ' ' ILE . 85.9 m -154.01 173.66 15.7 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.496 1.122 . . . . 1.0 108.268 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 620' ' ' LEU . . . . . 0.996 HD13 ' CD1' ' A' ' 640' ' ' LEU . 0.3 OUTLIER -93.11 132.1 37.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 1.0 109.266 -179.952 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 621' ' ' LEU . . . . . 0.845 HD23 ' CD ' ' A' ' 610' ' ' GLU . 1.3 tp -95.61 161.39 14.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 1.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 622' ' ' LEU . . . . . 1.169 HD21 ' OH ' ' A' ' 651' ' ' TYR . 0.0 OUTLIER -148.23 75.68 1.34 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 1.0 109.302 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 623' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.15 141.62 57.32 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.533 1.146 . . . . 1.0 109.315 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 624' ' ' ILE . . . . . 0.67 HG22 ' H ' ' A' ' 626' ' ' GLY . 11.6 mt -113.7 148.2 16.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.107 . . . . 1.0 109.313 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 625' ' ' ARG . . . . . 0.632 ' CB ' ' HG2' ' A' ' 607' ' ' GLN . 9.1 ptp180 -77.68 3.57 13.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.574 1.171 . . . . 1.0 110.376 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 626' ' ' GLY . . . . . 0.67 ' H ' HG22 ' A' ' 624' ' ' ILE . . . -95.92 -5.45 59.74 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.521 1.138 . . . . 1.0 111.02 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 93.51 35.69 6.13 Favored Glycine 0 CA--C 1.531 1.046 0 N-CA-C 110.987 -0.845 . . . . 1.0 110.987 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 628' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.42 121.6 16.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 0.789 . . . . 1.0 109.324 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 15.7 mp0 -98.96 144.98 27.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 1.0 110.355 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 630' ' ' PHE . . . . . 0.644 ' O ' HD12 ' A' ' 621' ' ' LEU . 0.8 OUTLIER -127.62 144.5 51.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 1.0 110.989 -179.887 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 631' ' ' ILE . . . . . 0.616 HD13 ' O ' ' A' ' 620' ' ' LEU . 0.3 OUTLIER -128.96 107.27 15.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.347 1.03 . . . . 1.0 109.292 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 632' ' ' LEU . . . . . 0.756 HD21 ' CD1' ' A' ' 622' ' ' LEU . 0.4 OUTLIER -121.76 166.75 13.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 1.0 109.267 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 633' ' ' GLN . . . . . 0.45 ' HG3' ' SG ' ' A' ' 619' ' ' CYS . 2.2 tm0? -151.09 -178.48 6.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.427 1.079 . . . . 1.0 110.351 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 634' ' ' CYS . . . . . 0.627 ' SG ' ' HA ' ' A' ' 565' ' ' MET . 0.5 OUTLIER -154.39 163.54 40.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 1.0 108.365 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 635' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -85.13 -23.04 28.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 1.0 109.312 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 636' ' ' SER . . . . . 0.504 ' CB ' ' HG3' ' A' ' 639' ' ' GLU . 0.5 OUTLIER -91.33 150.08 21.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.438 1.086 . . . . 1.0 110.037 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 637' ' ' ASP . . . . . 0.595 ' N ' ' CD ' ' A' ' 638' ' ' PRO . 0.7 OUTLIER -81.08 -47.0 1.14 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 1.0 109.282 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 638' ' ' PRO . . . . . 0.595 ' CD ' ' N ' ' A' ' 637' ' ' ASP . 18.1 Cg_endo -74.96 -51.99 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.522 1.801 . . . . 1.0 111.053 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 639' ' ' GLU . . . . . 0.558 ' C ' ' O ' ' A' ' 638' ' ' PRO . 20.5 mt-10 -25.89 -82.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.565 1.166 . . . . 1.0 110.325 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 640' ' ' LEU . . . . . 0.996 ' CD1' HD13 ' A' ' 620' ' ' LEU . 0.2 OUTLIER -46.39 -47.58 18.76 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.466 1.104 . . . . 1.0 109.324 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 641' ' ' VAL . . . . . 0.566 HG12 ' N ' ' A' ' 642' ' ' GLN . 0.7 OUTLIER -46.67 -54.62 2.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 1.0 109.279 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 642' ' ' GLN . . . . . 0.566 ' N ' HG12 ' A' ' 641' ' ' VAL . 0.0 OUTLIER -64.34 -39.19 93.4 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.545 1.153 . . . . 1.0 110.273 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 643' ' ' TRP . . . . . 0.622 ' CZ3' ' CB ' ' A' ' 583' ' ' LEU . 24.2 m95 -55.04 -45.87 75.26 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.002 -1.11 . . . . 1.0 108.002 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 644' ' ' LYS . . . . . 0.792 ' CD ' HG22 ' A' ' 609' ' ' VAL . 0.1 OUTLIER -55.27 -58.35 8.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.625 1.203 . . . . 1.0 109.427 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 645' ' ' LYS . . . . . 0.401 ' HB3' ' OE1' ' A' ' 646' ' ' GLU . 2.5 tmtm? -41.42 -54.68 3.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.438 1.087 . . . . 1.0 109.236 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 646' ' ' GLU . . . . . 0.754 ' HG2' HG22 ' A' ' 560' ' ' ILE . 0.8 OUTLIER -66.8 -33.6 75.98 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.456 1.098 . . . . 1.0 110.318 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 647' ' ' LEU . . . . . 0.934 HD22 ' OH ' ' A' ' 651' ' ' TYR . 23.2 mt -65.03 -62.35 1.6 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 1.0 109.276 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 648' ' ' ARG . . . . . 0.459 ' HG3' ' CG1' ' A' ' 609' ' ' VAL . 2.6 ttp180 -38.55 -59.77 0.88 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 1.0 110.289 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 649' ' ' ASP . . . . . 0.456 ' O ' ' N ' ' A' ' 653' ' ' GLU . 42.4 t0 -57.3 -44.53 84.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 1.0 109.332 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 650' ' ' ALA . . . . . 0.834 ' HB1' ' SD ' ' A' ' 603' ' ' MET . . . -51.77 -54.11 32.23 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.126 . . . . 1.0 109.207 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 651' ' ' TYR . . . . . 1.37 ' CD2' HG21 ' A' ' 606' ' ' ILE . 4.1 m-30 -67.09 -23.03 65.81 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.468 1.105 . . . . 1.0 110.976 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 652' ' ' ARG . . . . . 0.559 ' O ' ' HG2' ' A' ' 655' ' ' GLN . 15.2 mtp-105 -82.28 -71.5 0.48 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.46 1.1 . . . . 1.0 110.339 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 653' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 649' ' ' ASP . 0.1 OUTLIER -37.22 -31.59 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.553 1.158 . . . . 1.0 110.27 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 654' ' ' ALA . . . . . 0.578 ' HB3' ' O ' ' A' ' 603' ' ' MET . . . -77.36 -51.77 10.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.11 . . . . 1.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 655' ' ' GLN . . . . . 0.559 ' HG2' ' O ' ' A' ' 652' ' ' ARG . 1.5 pt20 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 1.0 110.297 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 559' ' ' CYS . . . . . . . . . . . . . 47.6 t . . . . . 0 N--CA 1.454 -0.233 0 N-CA-C 108.224 -1.028 . . . . 1.0 108.224 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 560' ' ' ILE . . . . . 0.779 HD11 ' HA ' ' A' ' 585' ' ' PRO . 53.2 mt -84.29 -59.0 3.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 1.0 109.34 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 561' ' ' MET . . . . . 0.435 ' SD ' ' OE2' ' A' ' 646' ' ' GLU . 0.0 OUTLIER -143.84 129.22 18.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 1.0 110.983 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 562' ' ' HIS . . . . . 0.514 ' HA ' ' CZ2' ' A' ' 643' ' ' TRP . 0.2 OUTLIER -130.03 156.45 44.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 1.0 109.561 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 563' ' ' GLY . . . . . 0.566 ' CA ' ' CE1' ' A' ' 580' ' ' TYR . . . 166.82 -172.0 41.84 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.497 1.123 . . . . 1.0 111.054 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 564' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -100.25 122.21 42.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 0.775 . . . . 1.0 111.043 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 565' ' ' MET . . . . . 0.576 ' SD ' ' CD2' ' A' ' 643' ' ' TRP . 2.5 ptt? -153.21 140.37 19.42 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.519 1.137 . . . . 1.0 110.993 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 566' ' ' SER . . . . . 0.493 ' HB2' ' HA ' ' A' ' 578' ' ' ARG . 0.3 OUTLIER -93.16 153.77 18.45 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 1.0 110.001 179.945 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 567' ' ' LYS . . . . . 0.521 ' HD3' ' CD1' ' A' ' 630' ' ' PHE . 4.1 tmmm? . . . . . 0 C--N 1.324 -0.529 0 O-C-N 124.504 1.127 . . . . 1.0 109.373 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 578' ' ' ARG . . . . . 0.493 ' HA ' ' HB2' ' A' ' 566' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.214 -0.291 . . . . 1.0 110.214 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 579' ' ' ARG . . . . . 0.572 ' HB2' ' CE1' ' A' ' 581' ' ' PHE . 59.9 mtp180 -146.07 154.72 42.16 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.462 1.101 . . . . 1.0 110.277 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 580' ' ' TYR . . . . . 0.566 ' CE1' ' CA ' ' A' ' 563' ' ' GLY . 0.5 OUTLIER -97.98 118.44 34.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.433 1.083 . . . . 1.0 110.992 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 581' ' ' PHE . . . . . 0.572 ' CE1' ' HB2' ' A' ' 579' ' ' ARG . 12.9 m-30 -115.08 172.95 6.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.604 1.19 . . . . 1.0 110.929 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 582' ' ' TYR . . . . . 0.472 ' CA ' ' HH2' ' A' ' 643' ' ' TRP . 21.9 m-85 -136.03 124.02 22.82 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 1.0 110.999 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 583' ' ' LEU . . . . . 0.732 HD11 ' HG ' ' A' ' 647' ' ' LEU . 7.7 tp -88.45 111.82 22.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 1.0 109.305 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 584' ' ' PHE . . . . . 0.523 ' HB2' ' C ' ' A' ' 587' ' ' ARG . 7.1 m-85 -100.91 171.86 5.04 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.548 1.155 . . . . 1.0 110.979 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 585' ' ' PRO . . . . . 0.779 ' HA ' HD11 ' A' ' 560' ' ' ILE . 18.1 Cg_endo -75.09 15.36 0.76 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.555 1.818 . . . . 1.0 110.981 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 586' ' ' ASN . . . . . 0.704 ' HA ' ' CG ' ' A' ' 603' ' ' MET . 0.7 OUTLIER 176.39 -40.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 1.0 109.3 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 587' ' ' ARG . . . . . 0.62 ' HA ' ' HA ' ' A' ' 602' ' ' THR . 0.0 OUTLIER -86.38 -167.54 1.91 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 1.0 110.271 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 588' ' ' LEU . . . . . 0.576 ' C ' HD12 ' A' ' 588' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 1.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 601' ' ' LEU . . . . . 0.566 HD11 ' OE2' ' A' ' 605' ' ' GLU . 44.3 tp . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.244 -0.65 . . . . 1.0 109.244 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 602' ' ' THR . . . . . 0.62 ' HA ' ' HA ' ' A' ' 587' ' ' ARG . 0.0 OUTLIER -114.84 -166.18 1.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 1.0 110.49 179.94 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 603' ' ' MET . . . . . 0.785 ' SD ' ' HB1' ' A' ' 650' ' ' ALA . 0.2 OUTLIER -125.38 38.72 4.12 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.445 1.091 . . . . 1.0 111.025 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 604' ' ' GLU . . . . . 0.587 ' HB3' ' HB1' ' A' ' 654' ' ' ALA . 10.7 pt-20 -126.16 58.82 1.34 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.45 1.094 . . . . 1.0 110.31 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 605' ' ' GLU . . . . . 0.566 ' OE2' HD11 ' A' ' 601' ' ' LEU . 3.1 pt-20 -157.68 -52.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 1.0 110.238 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 606' ' ' ILE . . . . . 1.313 HG21 ' CD2' ' A' ' 651' ' ' TYR . 0.9 OUTLIER -36.66 134.1 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.478 1.111 . . . . 1.0 109.321 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 607' ' ' GLN . . . . . 0.643 ' HG2' ' CB ' ' A' ' 625' ' ' ARG . 0.1 OUTLIER -83.74 -41.25 17.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.091 . . . . 1.0 110.243 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 608' ' ' SER . . . . . 0.462 ' O ' ' CD ' ' A' ' 623' ' ' LYS . 3.4 m -176.63 132.72 0.21 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.432 1.083 . . . . 1.0 110.064 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 609' ' ' VAL . . . . . 0.786 HG22 ' CD ' ' A' ' 644' ' ' LYS . 9.6 p -98.05 150.44 4.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 1.0 109.302 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 610' ' ' GLU . . . . . 1.013 ' HB2' HD23 ' A' ' 621' ' ' LEU . 0.6 OUTLIER -162.41 -168.53 1.87 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.372 1.045 . . . . 1.0 110.404 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 611' ' ' GLU . . . . . 0.549 ' HA ' ' HA ' ' A' ' 620' ' ' LEU . 32.2 tt0 -145.09 148.72 33.97 Favored 'General case' 0 C--N 1.322 -0.6 0 O-C-N 124.643 1.215 . . . . 1.0 110.346 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 612' ' ' THR . . . . . 0.877 HG23 ' HG3' ' A' ' 618' ' ' LYS . 0.1 OUTLIER -115.82 166.31 12.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 1.0 110.337 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 613' ' ' GLN . . . . . 0.469 ' N ' ' HB3' ' A' ' 618' ' ' LYS . 10.9 mt-30 -134.09 156.55 48.06 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.47 1.106 . . . . 1.0 110.301 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 614' ' ' ILE . . . . . 0.749 HG22 ' O ' ' A' ' 614' ' ' ILE . 0.0 OUTLIER -140.29 85.29 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 1.0 109.296 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 615' ' ' LYS . . . . . 0.402 ' HB2' ' O ' ' A' ' 614' ' ' ILE . 11.4 mmtm 81.29 -35.71 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 1.0 109.295 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 616' ' ' GLU . . . . . 0.442 ' H ' ' C ' ' A' ' 614' ' ' ILE . 2.5 tt0 -156.12 -44.31 0.08 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.493 1.121 . . . . 1.0 110.277 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 2.7 ttm180 -154.7 136.15 14.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.101 . . . . 1.0 110.317 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 618' ' ' LYS . . . . . 0.877 ' HG3' HG23 ' A' ' 612' ' ' THR . 5.8 tptt -117.42 -95.33 0.48 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 1.0 109.299 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 619' ' ' CYS . . . . . 0.474 ' O ' ' CG ' ' A' ' 611' ' ' GLU . 6.9 m -158.96 -170.7 3.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.527 1.142 . . . . 1.0 108.335 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 620' ' ' LEU . . . . . 1.065 ' CD1' HD12 ' A' ' 640' ' ' LEU . 0.1 OUTLIER -104.26 143.32 33.12 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.464 1.102 . . . . 1.0 109.268 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 621' ' ' LEU . . . . . 1.013 HD23 ' HB2' ' A' ' 610' ' ' GLU . 5.7 tp -94.43 159.49 15.08 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.526 1.142 . . . . 1.0 109.261 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 622' ' ' LEU . . . . . 0.883 HD21 ' HE2' ' A' ' 651' ' ' TYR . 0.8 OUTLIER -162.96 85.66 0.53 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.556 1.16 . . . . 1.0 109.226 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 623' ' ' LYS . . . . . 0.462 ' CD ' ' O ' ' A' ' 608' ' ' SER . 0.0 OUTLIER -90.93 138.24 31.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 1.0 109.334 179.915 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 624' ' ' ILE . . . . . 0.963 HG22 ' H ' ' A' ' 626' ' ' GLY . 71.4 mt -103.94 143.38 15.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 1.0 109.334 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 625' ' ' ARG . . . . . 0.643 ' CB ' ' HG2' ' A' ' 607' ' ' GLN . 2.9 ptm180 -79.41 3.64 17.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.432 1.083 . . . . 1.0 110.254 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 626' ' ' GLY . . . . . 0.963 ' H ' HG22 ' A' ' 624' ' ' ILE . . . -88.12 -20.42 49.54 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.553 1.158 . . . . 1.0 111.008 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 116.14 41.14 0.78 Allowed Glycine 0 CA--C 1.529 0.935 0 N-CA-C 110.991 -0.844 . . . . 1.0 110.991 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 628' ' ' LYS . . . . . . . . . . . . . 1.2 mtmm -143.97 170.16 16.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 0.731 . . . . 1.0 109.263 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.61 135.11 26.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 1.0 110.339 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 630' ' ' PHE . . . . . 0.521 ' CD1' ' HD3' ' A' ' 567' ' ' LYS . 0.4 OUTLIER -125.07 166.91 15.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.15 . . . . 1.0 110.908 -179.954 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 631' ' ' ILE . . . . . 0.47 ' O ' HG22 ' A' ' 631' ' ' ILE . 0.2 OUTLIER -145.8 112.11 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.537 1.148 . . . . 1.0 109.294 179.872 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 632' ' ' LEU . . . . . 0.69 HD11 ' CD1' ' A' ' 622' ' ' LEU . 0.8 OUTLIER -83.28 152.77 24.99 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.095 . . . . 1.0 109.333 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 633' ' ' GLN . . . . . 0.472 ' HB2' ' SG ' ' A' ' 619' ' ' CYS . 3.0 tm0? -153.13 103.42 2.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 1.0 110.335 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 634' ' ' CYS . . . . . 0.588 ' HB2' HD23 ' A' ' 640' ' ' LEU . 8.7 t -116.51 164.06 15.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 1.0 108.221 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 635' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -88.1 -14.96 37.5 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.477 1.11 . . . . 1.0 109.299 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 636' ' ' SER . . . . . 0.472 ' CB ' ' HB2' ' A' ' 639' ' ' GLU . 0.4 OUTLIER -92.52 146.92 23.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 1.0 110.084 179.927 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 637' ' ' ASP . . . . . 0.622 ' N ' ' CD ' ' A' ' 638' ' ' PRO . 3.2 t0 -84.23 -45.12 0.75 Allowed Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.452 1.095 . . . . 1.0 109.255 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 638' ' ' PRO . . . . . 0.622 ' CD ' ' N ' ' A' ' 637' ' ' ASP . 18.6 Cg_endo -75.0 -52.76 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.517 1.799 . . . . 1.0 110.996 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 639' ' ' GLU . . . . . 0.55 ' C ' ' O ' ' A' ' 638' ' ' PRO . 23.2 mm-40 -25.54 -80.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.531 1.144 . . . . 1.0 110.249 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 640' ' ' LEU . . . . . 1.065 HD12 ' CD1' ' A' ' 620' ' ' LEU . 0.2 OUTLIER -50.47 -46.35 56.83 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.461 1.101 . . . . 1.0 109.285 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 641' ' ' VAL . . . . . 0.638 HG12 ' N ' ' A' ' 642' ' ' GLN . 0.9 OUTLIER -45.84 -59.17 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 1.0 109.304 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 642' ' ' GLN . . . . . 0.638 ' N ' HG12 ' A' ' 641' ' ' VAL . 0.1 OUTLIER -62.6 -39.98 95.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.433 1.083 . . . . 1.0 110.249 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 643' ' ' TRP . . . . . 0.835 ' C ' HD12 ' A' ' 647' ' ' LEU . 22.6 m95 -54.46 -46.88 73.41 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.982 -1.118 . . . . 1.0 107.982 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 644' ' ' LYS . . . . . 0.786 ' CD ' HG22 ' A' ' 609' ' ' VAL . 0.1 OUTLIER -57.4 -61.04 2.77 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.521 1.138 . . . . 1.0 109.363 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 645' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 644' ' ' LYS . 10.0 tmtt? -38.58 -57.89 1.11 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.58 1.175 . . . . 1.0 109.354 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 646' ' ' GLU . . . . . 0.711 ' CB ' HD23 ' A' ' 583' ' ' LEU . 0.7 OUTLIER -66.12 -35.49 80.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.561 1.163 . . . . 1.0 110.282 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 647' ' ' LEU . . . . . 0.835 HD12 ' C ' ' A' ' 643' ' ' TRP . 0.4 OUTLIER -66.03 -64.25 0.9 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 1.0 109.353 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 648' ' ' ARG . . . . . 0.552 ' N ' ' O ' ' A' ' 644' ' ' LYS . 0.2 OUTLIER -35.88 -57.87 0.66 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 1.0 110.311 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 649' ' ' ASP . . . . . 0.44 ' O ' ' N ' ' A' ' 653' ' ' GLU . 47.2 t0 -60.01 -43.23 95.37 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.555 1.16 . . . . 1.0 109.328 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 650' ' ' ALA . . . . . 0.785 ' HB1' ' SD ' ' A' ' 603' ' ' MET . . . -52.41 -51.2 60.32 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.536 1.148 . . . . 1.0 109.322 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 651' ' ' TYR . . . . . 1.313 ' CD2' HG21 ' A' ' 606' ' ' ILE . 21.3 m-30 -70.55 -28.63 65.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 1.0 110.976 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 652' ' ' ARG . . . . . 0.62 ' O ' ' HG2' ' A' ' 655' ' ' GLN . 4.4 mmm180 -75.99 -63.18 1.37 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.424 1.078 . . . . 1.0 110.352 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 653' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 649' ' ' ASP . 3.6 tp10 -45.64 -30.65 1.6 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 1.0 110.302 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 654' ' ' ALA . . . . . 0.587 ' HB1' ' HB3' ' A' ' 604' ' ' GLU . . . -80.12 -53.78 6.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 1.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 655' ' ' GLN . . . . . 0.62 ' HG2' ' O ' ' A' ' 652' ' ' ARG . 6.3 pt20 . . . . . 0 C--N 1.324 -0.529 0 O-C-N 124.468 1.105 . . . . 1.0 110.259 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 559' ' ' CYS . . . . . 0.591 ' CA ' ' HD3' ' A' ' 585' ' ' PRO . 4.7 t . . . . . 0 N--CA 1.455 -0.214 0 N-CA-C 108.318 -0.993 . . . . 1.0 108.318 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 560' ' ' ILE . . . . . 0.625 HD11 ' HA ' ' A' ' 585' ' ' PRO . 39.2 mt -97.49 -64.62 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.148 . . . . 1.0 109.322 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 561' ' ' MET . . . . . 0.498 ' HB2' ' HG2' ' A' ' 646' ' ' GLU . 0.0 OUTLIER -152.94 138.88 18.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.584 1.178 . . . . 1.0 110.983 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 562' ' ' HIS . . . . . . . . . . . . . 4.6 p80 -128.32 153.64 46.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 1.0 109.572 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 563' ' ' GLY . . . . . . . . . . . . . . . 171.39 -176.5 44.63 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.452 1.095 . . . . 1.0 111.057 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 564' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -103.68 121.72 43.55 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.511 0.771 . . . . 1.0 111.004 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 565' ' ' MET . . . . . 0.618 ' SD ' ' CE2' ' A' ' 643' ' ' TRP . 2.6 ptm -150.95 152.68 33.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 1.0 111.04 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 566' ' ' SER . . . . . 0.476 ' OG ' ' O ' ' A' ' 633' ' ' GLN . 0.3 OUTLIER -102.52 136.69 41.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 1.0 109.972 -179.933 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 567' ' ' LYS . . . . . 0.643 ' HE2' ' CE1' ' A' ' 630' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.423 1.077 . . . . 1.0 109.357 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 578' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 110.306 -0.257 . . . . 1.0 110.306 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 579' ' ' ARG . . . . . 0.493 ' O ' ' O ' ' A' ' 565' ' ' MET . 10.3 mtm180 -131.73 161.65 32.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 1.0 110.344 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 580' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -89.58 123.63 33.82 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.533 1.146 . . . . 1.0 111.082 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 581' ' ' PHE . . . . . 0.614 ' CD2' HD11 ' A' ' 588' ' ' LEU . 2.6 m-85 -117.5 159.94 22.03 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.547 1.154 . . . . 1.0 111.044 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 582' ' ' TYR . . . . . 0.411 ' O ' ' HA ' ' A' ' 588' ' ' LEU . 82.4 m-85 -139.15 122.64 17.27 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.507 1.129 . . . . 1.0 111.068 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 583' ' ' LEU . . . . . 0.855 HD23 ' HB3' ' A' ' 646' ' ' GLU . 6.1 tp -90.01 102.97 15.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 1.0 109.35 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 584' ' ' PHE . . . . . 0.457 ' CB ' ' O ' ' A' ' 587' ' ' ARG . 0.2 OUTLIER -103.81 147.43 34.25 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.45 1.094 . . . . 1.0 110.981 -179.94 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 585' ' ' PRO . . . . . 0.625 ' HA ' HD11 ' A' ' 560' ' ' ILE . 18.2 Cg_endo -75.07 64.48 6.11 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.459 1.768 . . . . 1.0 110.931 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 586' ' ' ASN . . . . . 0.739 ' O ' HG22 ' A' ' 602' ' ' THR . 7.9 m-20 151.2 -31.04 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.445 1.091 . . . . 1.0 109.341 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 587' ' ' ARG . . . . . 0.543 ' HA ' ' HA ' ' A' ' 602' ' ' THR . 0.0 OUTLIER -142.6 -175.03 4.31 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.134 . . . . 1.0 110.411 179.937 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 588' ' ' LEU . . . . . 0.614 HD11 ' CD2' ' A' ' 581' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.46 1.1 . . . . 1.0 109.351 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 3.8 mm? . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.255 -0.646 . . . . 1.0 109.255 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 602' ' ' THR . . . . . 0.739 HG22 ' O ' ' A' ' 586' ' ' ASN . 0.2 OUTLIER -104.86 -157.58 0.62 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 1.0 110.348 -179.932 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 603' ' ' MET . . . . . 0.528 ' SD ' ' HA ' ' A' ' 586' ' ' ASN . 0.7 OUTLIER -126.52 20.59 7.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.14 . . . . 1.0 110.932 -179.946 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 604' ' ' GLU . . . . . 0.478 ' HB3' ' HB1' ' A' ' 654' ' ' ALA . 9.2 pt-20 -121.58 66.13 0.89 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 1.0 110.323 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 605' ' ' GLU . . . . . 0.409 ' HB2' HG23 ' A' ' 624' ' ' ILE . 3.2 pt-20 -158.6 -49.59 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 1.0 110.293 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 606' ' ' ILE . . . . . 1.239 HG21 ' CD2' ' A' ' 651' ' ' TYR . 1.1 mp -46.15 134.9 2.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.556 1.16 . . . . 1.0 109.273 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 607' ' ' GLN . . . . . 0.518 ' HG3' ' HA ' ' A' ' 625' ' ' ARG . 0.0 OUTLIER -88.3 -37.63 15.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 1.0 110.369 179.898 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 608' ' ' SER . . . . . 0.515 ' O ' ' CD ' ' A' ' 623' ' ' LYS . 0.8 OUTLIER -176.23 135.1 0.26 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 1.0 109.994 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 609' ' ' VAL . . . . . 0.946 HG22 ' CD ' ' A' ' 644' ' ' LYS . 4.1 p -107.38 142.44 20.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 1.0 109.255 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 610' ' ' GLU . . . . . 0.92 ' CD ' HD23 ' A' ' 621' ' ' LEU . 0.1 OUTLIER -163.92 173.7 12.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.579 1.174 . . . . 1.0 110.313 179.925 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 611' ' ' GLU . . . . . 0.604 ' HA ' ' HA ' ' A' ' 620' ' ' LEU . 20.4 tt0 -119.9 145.13 46.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 1.0 110.298 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 612' ' ' THR . . . . . 0.509 HG23 ' HB3' ' A' ' 618' ' ' LYS . 3.2 t -110.77 139.84 45.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.383 1.052 . . . . 1.0 110.452 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -111.58 158.27 19.41 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 1.0 110.298 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 614' ' ' ILE . . . . . 0.735 ' O ' ' CG2' ' A' ' 614' ' ' ILE . 0.0 OUTLIER -146.55 87.93 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 1.0 109.212 179.932 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 615' ' ' LYS . . . . . 0.444 ' CB ' ' O ' ' A' ' 614' ' ' ILE . 2.8 mttp 84.3 -36.97 0.06 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.155 . . . . 1.0 109.274 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 616' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -155.68 -50.24 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 1.0 110.307 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 617' ' ' ARG . . . . . 0.637 ' CZ ' ' OD1' ' A' ' 637' ' ' ASP . 10.4 ttt180 -161.73 133.37 5.48 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.548 1.155 . . . . 1.0 110.343 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 618' ' ' LYS . . . . . 0.534 ' CG ' HD13 ' A' ' 614' ' ' ILE . 0.6 OUTLIER -112.94 -101.95 0.41 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 1.0 109.236 -179.903 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 619' ' ' CYS . . . . . 0.667 ' SG ' ' CG ' ' A' ' 633' ' ' GLN . 0.0 OUTLIER -145.38 -161.31 1.28 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 1.0 108.21 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 620' ' ' LEU . . . . . 1.158 ' CD1' HD12 ' A' ' 640' ' ' LEU . 0.0 OUTLIER -114.51 156.96 23.64 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.499 1.124 . . . . 1.0 109.358 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 621' ' ' LEU . . . . . 0.92 HD23 ' CD ' ' A' ' 610' ' ' GLU . 0.4 OUTLIER -117.34 154.74 30.76 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.523 1.139 . . . . 1.0 109.3 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 622' ' ' LEU . . . . . 0.685 ' H ' HD12 ' A' ' 621' ' ' LEU . 5.9 mt -149.23 87.67 1.54 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 1.0 109.286 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 623' ' ' LYS . . . . . 0.515 ' CD ' ' O ' ' A' ' 608' ' ' SER . 0.0 OUTLIER -86.66 135.66 33.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.428 1.08 . . . . 1.0 109.244 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 624' ' ' ILE . . . . . 0.943 HG22 ' H ' ' A' ' 626' ' ' GLY . 71.8 mt -107.2 143.0 18.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.145 . . . . 1.0 109.234 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 625' ' ' ARG . . . . . 0.518 ' HA ' ' HG3' ' A' ' 607' ' ' GLN . 0.0 OUTLIER -77.9 2.71 16.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 1.0 110.291 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 626' ' ' GLY . . . . . 0.943 ' H ' HG22 ' A' ' 624' ' ' ILE . . . -85.39 -28.04 31.32 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.518 1.136 . . . . 1.0 110.997 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 129.68 -5.23 6.19 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.942 -0.863 . . . . 1.0 110.942 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 628' ' ' LYS . . . . . . . . . . . . . 8.4 mtmt -106.42 168.06 9.42 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.416 0.715 . . . . 1.0 109.228 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 21.3 mp0 -135.55 173.38 11.78 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.42 1.075 . . . . 1.0 110.306 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 630' ' ' PHE . . . . . 0.643 ' CE1' ' HE2' ' A' ' 567' ' ' LYS . 0.3 OUTLIER -152.61 160.59 43.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 1.0 111.036 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 631' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -140.91 114.33 5.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 1.0 109.294 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 632' ' ' LEU . . . . . 0.813 HD13 HD11 ' A' ' 640' ' ' LEU . 0.5 OUTLIER -84.4 149.2 26.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 1.0 109.246 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 633' ' ' GLN . . . . . 0.667 ' CG ' ' SG ' ' A' ' 619' ' ' CYS . 0.5 OUTLIER -154.72 104.77 2.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 1.0 110.346 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 634' ' ' CYS . . . . . 0.418 ' SG ' ' OE1' ' A' ' 639' ' ' GLU . 12.2 t -122.89 148.35 45.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 1.0 108.258 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 635' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.17 -6.21 37.73 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.544 1.153 . . . . 1.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 636' ' ' SER . . . . . 0.494 ' CB ' ' HB2' ' A' ' 639' ' ' GLU . 1.6 m -102.54 143.36 32.34 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.45 1.094 . . . . 1.0 109.978 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 637' ' ' ASP . . . . . 0.648 ' N ' ' CD ' ' A' ' 638' ' ' PRO . 0.4 OUTLIER -81.45 -43.7 1.12 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.567 1.167 . . . . 1.0 109.246 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 638' ' ' PRO . . . . . 0.648 ' CD ' ' N ' ' A' ' 637' ' ' ASP . 18.6 Cg_endo -75.0 -52.45 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.563 1.823 . . . . 1.0 111.007 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 639' ' ' GLU . . . . . 0.561 ' C ' ' O ' ' A' ' 638' ' ' PRO . 2.6 tt0 -25.21 -76.12 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.437 1.086 . . . . 1.0 110.345 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 640' ' ' LEU . . . . . 1.158 HD12 ' CD1' ' A' ' 620' ' ' LEU . 0.2 OUTLIER -53.56 -51.91 61.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 1.0 109.292 179.949 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 641' ' ' VAL . . . . . 0.637 HG12 ' N ' ' A' ' 642' ' ' GLN . 0.8 OUTLIER -41.3 -58.93 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.518 1.136 . . . . 1.0 109.351 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 642' ' ' GLN . . . . . 0.637 ' N ' HG12 ' A' ' 641' ' ' VAL . 0.0 OUTLIER -64.68 -42.16 95.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 1.0 110.231 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 643' ' ' TRP . . . . . 0.825 ' O ' HD12 ' A' ' 647' ' ' LEU . 11.2 m95 -52.25 -42.51 63.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 1.0 107.993 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 644' ' ' LYS . . . . . 0.946 ' CD ' HG22 ' A' ' 609' ' ' VAL . 0.0 OUTLIER -58.18 -59.35 5.44 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.465 1.103 . . . . 1.0 109.322 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 645' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 644' ' ' LYS . 7.9 tmtm? -39.18 -55.12 1.7 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.42 1.075 . . . . 1.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 646' ' ' GLU . . . . . 0.855 ' HB3' HD23 ' A' ' 583' ' ' LEU . 1.0 OUTLIER -64.98 -37.42 87.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 1.0 110.368 179.914 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 647' ' ' LEU . . . . . 0.825 HD12 ' O ' ' A' ' 643' ' ' TRP . 0.6 OUTLIER -64.69 -62.72 1.4 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.564 1.165 . . . . 1.0 109.347 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 648' ' ' ARG . . . . . 0.485 ' HG3' ' CG1' ' A' ' 609' ' ' VAL . 6.3 ttp180 -36.97 -50.84 0.9 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.363 1.039 . . . . 1.0 110.321 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 649' ' ' ASP . . . . . 0.435 ' O ' ' C ' ' A' ' 650' ' ' ALA . 43.3 t0 -64.23 -58.49 6.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 1.0 109.309 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 650' ' ' ALA . . . . . 0.513 ' O ' ' HB2' ' A' ' 603' ' ' MET . . . -37.42 -50.81 1.09 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.586 1.179 . . . . 1.0 109.349 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 651' ' ' TYR . . . . . 1.239 ' CD2' HG21 ' A' ' 606' ' ' ILE . 10.9 m-30 -69.95 -47.86 60.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 1.0 111.05 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 652' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' A' ' 655' ' ' GLN . 23.3 mtp180 -57.02 -62.52 1.69 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 1.0 110.297 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 653' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -39.57 -54.54 1.98 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 1.0 110.307 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 654' ' ' ALA . . . . . 0.478 ' HB1' ' HB3' ' A' ' 604' ' ' GLU . . . -47.97 -45.27 31.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 1.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 655' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' A' ' 652' ' ' ARG . 55.7 mt-30 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 1.0 110.248 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 559' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 108.224 -1.028 . . . . 1.0 108.224 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 560' ' ' ILE . . . . . 0.93 HD11 ' HA ' ' A' ' 585' ' ' PRO . 49.4 mt -75.49 -59.79 2.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 1.0 109.337 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 561' ' ' MET . . . . . 0.53 ' CE ' ' HB3' ' A' ' 642' ' ' GLN . 0.0 OUTLIER -137.02 142.52 42.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.1 . . . . 1.0 111.039 179.902 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 562' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -141.45 148.37 39.4 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.554 1.159 . . . . 1.0 109.601 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 563' ' ' GLY . . . . . . . . . . . . . . . 171.11 -171.36 43.88 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.485 1.115 . . . . 1.0 111.058 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 564' ' ' TYR . . . . . 0.411 ' HE1' ' CA ' ' A' ' 579' ' ' ARG . 0.8 OUTLIER -107.12 120.54 42.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 0.729 . . . . 1.0 110.899 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 565' ' ' MET . . . . . 0.597 ' O ' ' O ' ' A' ' 579' ' ' ARG . 1.8 ptt? -151.87 150.68 30.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 1.0 111.048 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 566' ' ' SER . . . . . 0.446 ' OG ' ' O ' ' A' ' 633' ' ' GLN . 0.2 OUTLIER -96.67 149.01 22.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 1.0 110.022 -179.931 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 567' ' ' LYS . . . . . 0.657 ' HE2' ' CD1' ' A' ' 630' ' ' PHE . 12.1 tttt . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 1.0 109.215 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 578' ' ' ARG . . . . . 0.419 ' HA ' ' HB2' ' A' ' 566' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 110.353 -0.24 . . . . 1.0 110.353 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 579' ' ' ARG . . . . . 0.597 ' O ' ' O ' ' A' ' 565' ' ' MET . 2.4 mmt85 -136.32 166.52 23.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 1.0 110.278 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 580' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -89.33 136.29 33.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 1.0 110.965 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 581' ' ' PHE . . . . . 0.544 ' HB3' ' CH2' ' A' ' 643' ' ' TRP . 0.6 OUTLIER -120.44 166.77 13.12 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.442 1.089 . . . . 1.0 111.008 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 582' ' ' TYR . . . . . 0.436 ' O ' ' HA ' ' A' ' 588' ' ' LEU . 0.4 OUTLIER -146.7 114.2 6.35 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.513 1.133 . . . . 1.0 111.051 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 583' ' ' LEU . . . . . 0.827 HD21 ' HG ' ' A' ' 647' ' ' LEU . 5.7 tp -90.28 109.05 20.16 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.591 1.182 . . . . 1.0 109.343 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 584' ' ' PHE . . . . . 0.475 ' C ' ' H ' ' A' ' 586' ' ' ASN . 0.5 OUTLIER -98.16 162.83 20.76 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.524 1.14 . . . . 1.0 110.956 -179.922 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 585' ' ' PRO . . . . . 0.93 ' HA ' HD11 ' A' ' 560' ' ' ILE . 18.4 Cg_endo -74.96 37.2 0.46 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.473 1.775 . . . . 1.0 111.064 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 586' ' ' ASN . . . . . 0.746 ' O ' ' HG3' ' A' ' 603' ' ' MET . 12.9 m-20 167.16 -48.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.424 1.077 . . . . 1.0 109.335 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 587' ' ' ARG . . . . . 0.607 ' HA ' ' HA ' ' A' ' 602' ' ' THR . 0.0 OUTLIER -98.88 -168.28 1.61 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.562 1.164 . . . . 1.0 110.309 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 588' ' ' LEU . . . . . 0.767 ' C ' HD12 ' A' ' 588' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.604 1.19 . . . . 1.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.216 -0.661 . . . . 1.0 109.216 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 602' ' ' THR . . . . . 0.607 ' HA ' ' HA ' ' A' ' 587' ' ' ARG . 0.2 OUTLIER -109.01 -146.52 0.4 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 1.0 110.37 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 603' ' ' MET . . . . . 0.883 ' SD ' ' HB2' ' A' ' 654' ' ' ALA . 0.0 OUTLIER -136.75 26.79 3.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 1.0 110.977 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -125.06 56.76 1.32 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 1.0 110.326 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 605' ' ' GLU . . . . . 0.639 ' HB2' HG23 ' A' ' 624' ' ' ILE . 2.8 pt-20 -158.26 -58.58 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 1.0 110.226 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 606' ' ' ILE . . . . . 1.206 HG21 ' CD2' ' A' ' 651' ' ' TYR . 1.3 mp -33.43 133.71 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 1.0 109.277 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 607' ' ' GLN . . . . . 0.468 ' CG ' ' CB ' ' A' ' 625' ' ' ARG . 0.0 OUTLIER -88.85 -37.07 15.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.57 1.168 . . . . 1.0 110.199 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -174.52 137.41 0.49 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 1.0 109.969 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 609' ' ' VAL . . . . . 0.942 HG22 ' CD ' ' A' ' 644' ' ' LYS . 3.6 p -106.36 141.79 20.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.595 1.184 . . . . 1.0 109.343 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 610' ' ' GLU . . . . . 0.788 ' HG3' HD23 ' A' ' 621' ' ' LEU . 0.4 OUTLIER -159.1 -165.85 1.7 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 1.0 110.273 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 611' ' ' GLU . . . . . 0.534 ' HA ' ' HA ' ' A' ' 620' ' ' LEU . 21.4 tt0 -146.23 144.65 30.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 1.0 110.254 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 612' ' ' THR . . . . . 0.808 HG23 ' HG3' ' A' ' 618' ' ' LYS . 0.0 OUTLIER -106.58 164.81 11.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 1.0 110.404 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -129.53 161.68 29.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.408 1.068 . . . . 1.0 110.274 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 614' ' ' ILE . . . . . 0.764 HG22 ' O ' ' A' ' 614' ' ' ILE . 0.0 OUTLIER -146.42 83.28 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.579 1.174 . . . . 1.0 109.299 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 615' ' ' LYS . . . . . 0.451 ' HB3' ' O ' ' A' ' 614' ' ' ILE . 1.7 ttpm? 81.28 -31.97 0.11 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.503 1.127 . . . . 1.0 109.305 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 616' ' ' GLU . . . . . 0.448 ' H ' ' C ' ' A' ' 614' ' ' ILE . 2.2 tt0 -156.56 -48.55 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.422 1.076 . . . . 1.0 110.309 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 617' ' ' ARG . . . . . 0.588 ' CZ ' ' OD1' ' A' ' 637' ' ' ASP . 1.9 ttt180 -157.74 137.81 12.5 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.437 1.086 . . . . 1.0 110.307 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 618' ' ' LYS . . . . . 0.808 ' HG3' HG23 ' A' ' 612' ' ' THR . 8.6 tptt -115.67 -96.5 0.46 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.59 1.181 . . . . 1.0 109.237 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 619' ' ' CYS . . . . . 0.499 ' O ' ' CG ' ' A' ' 611' ' ' GLU . 1.7 m -158.2 -174.87 5.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.559 1.162 . . . . 1.0 108.264 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 620' ' ' LEU . . . . . 1.048 HD13 ' CD1' ' A' ' 640' ' ' LEU . 0.2 OUTLIER -95.91 153.37 17.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.396 1.06 . . . . 1.0 109.298 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 621' ' ' LEU . . . . . 0.788 HD23 ' HG3' ' A' ' 610' ' ' GLU . 1.1 tp -112.36 157.54 20.88 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.543 1.152 . . . . 1.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 622' ' ' LEU . . . . . 0.917 ' CD1' HD11 ' A' ' 632' ' ' LEU . 9.0 mt -154.87 86.66 1.12 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 1.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 623' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.43 135.21 33.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.552 1.157 . . . . 1.0 109.328 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 624' ' ' ILE . . . . . 0.986 HG22 ' H ' ' A' ' 626' ' ' GLY . 36.3 mt -104.42 142.21 18.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.445 1.091 . . . . 1.0 109.262 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 625' ' ' ARG . . . . . 0.468 ' CB ' ' CG ' ' A' ' 607' ' ' GLN . 0.4 OUTLIER -78.8 3.55 16.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 1.0 110.349 179.892 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 626' ' ' GLY . . . . . 0.986 ' H ' HG22 ' A' ' 624' ' ' ILE . . . -88.03 -25.25 32.24 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.501 1.126 . . . . 1.0 111.018 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 121.26 40.66 0.54 Allowed Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.987 -0.845 . . . . 1.0 110.987 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 628' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.53 172.5 13.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 0.789 . . . . 1.0 109.268 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 5.2 mp0 -144.73 152.69 40.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 1.0 110.311 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 630' ' ' PHE . . . . . 0.657 ' CD1' ' HE2' ' A' ' 567' ' ' LYS . 0.8 OUTLIER -136.37 159.75 40.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 1.0 110.961 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 631' ' ' ILE . . . . . 0.534 ' O ' HG22 ' A' ' 631' ' ' ILE . 0.2 OUTLIER -144.68 108.29 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.613 1.195 . . . . 1.0 109.295 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 632' ' ' LEU . . . . . 0.917 HD11 ' CD1' ' A' ' 622' ' ' LEU . 0.6 OUTLIER -84.07 151.76 24.76 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.389 1.055 . . . . 1.0 109.296 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 633' ' ' GLN . . . . . 0.497 ' HB2' ' SG ' ' A' ' 619' ' ' CYS . 52.2 tt0 -148.86 100.62 3.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.098 . . . . 1.0 110.339 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 634' ' ' CYS . . . . . . . . . . . . . 5.5 t -115.39 159.86 20.58 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.545 1.153 . . . . 1.0 108.317 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 635' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -82.94 -16.35 47.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 1.0 109.362 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 636' ' ' SER . . . . . 0.602 ' HB2' ' HB2' ' A' ' 639' ' ' GLU . 13.4 m -92.95 150.81 20.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 1.0 110.011 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 637' ' ' ASP . . . . . 0.677 ' N ' ' CD ' ' A' ' 638' ' ' PRO . 0.4 OUTLIER -90.13 -41.96 0.41 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 1.0 109.275 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 638' ' ' PRO . . . . . 0.677 ' CD ' ' N ' ' A' ' 637' ' ' ASP . 18.5 Cg_endo -75.02 -54.91 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.541 1.811 . . . . 1.0 110.99 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 639' ' ' GLU . . . . . 0.602 ' HB2' ' HB2' ' A' ' 636' ' ' SER . 74.0 mm-40 -24.8 -79.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 1.0 110.297 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 640' ' ' LEU . . . . . 1.048 ' CD1' HD13 ' A' ' 620' ' ' LEU . 0.1 OUTLIER -50.15 -47.82 54.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.405 1.066 . . . . 1.0 109.278 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 641' ' ' VAL . . . . . 0.617 HG12 ' N ' ' A' ' 642' ' ' GLN . 0.8 OUTLIER -44.94 -57.88 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 1.0 109.337 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 642' ' ' GLN . . . . . 0.617 ' N ' HG12 ' A' ' 641' ' ' VAL . 0.8 OUTLIER -63.07 -38.94 93.17 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.53 1.144 . . . . 1.0 110.324 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 643' ' ' TRP . . . . . 0.891 ' C ' HD12 ' A' ' 647' ' ' LEU . 14.8 m95 -55.23 -47.16 75.78 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 107.948 -1.131 . . . . 1.0 107.948 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 644' ' ' LYS . . . . . 0.942 ' CD ' HG22 ' A' ' 609' ' ' VAL . 1.8 ttpt -54.69 -56.52 18.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 1.0 109.302 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 645' ' ' LYS . . . . . 0.405 ' HD3' ' C ' ' A' ' 645' ' ' LYS . 0.1 OUTLIER -41.02 -52.07 3.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 1.0 109.242 -179.91 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 646' ' ' GLU . . . . . 0.637 ' CG ' HG22 ' A' ' 560' ' ' ILE . 0.2 OUTLIER -71.02 -31.45 67.94 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.513 1.133 . . . . 1.0 110.256 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 647' ' ' LEU . . . . . 0.891 HD12 ' C ' ' A' ' 643' ' ' TRP . 0.5 OUTLIER -70.77 -61.86 1.61 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.548 1.155 . . . . 1.0 109.249 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 648' ' ' ARG . . . . . 0.533 ' N ' ' O ' ' A' ' 644' ' ' LYS . 7.4 ttp180 -39.0 -54.28 1.69 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.452 1.095 . . . . 1.0 110.341 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 649' ' ' ASP . . . . . 0.42 ' O ' ' N ' ' A' ' 653' ' ' GLU . 0.2 OUTLIER -61.86 -51.44 68.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 1.0 109.319 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 650' ' ' ALA . . . . . 0.505 ' O ' ' SD ' ' A' ' 603' ' ' MET . . . -43.96 -51.05 7.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.145 . . . . 1.0 109.339 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 651' ' ' TYR . . . . . 1.206 ' CD2' HG21 ' A' ' 606' ' ' ILE . 12.4 m-30 -71.01 -41.52 70.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 1.0 110.953 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 652' ' ' ARG . . . . . 0.465 ' O ' ' N ' ' A' ' 655' ' ' GLN . 2.5 mmt180 -60.62 -63.34 1.33 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.411 1.069 . . . . 1.0 110.295 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 653' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 649' ' ' ASP . 1.5 mp0 -40.3 -53.11 2.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 1.0 110.361 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 654' ' ' ALA . . . . . 0.883 ' HB2' ' SD ' ' A' ' 603' ' ' MET . . . -48.48 -42.35 32.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 1.0 109.222 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 655' ' ' GLN . . . . . 0.465 ' N ' ' O ' ' A' ' 652' ' ' ARG . 27.1 mt-30 . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.489 1.118 . . . . 1.0 110.281 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 N-CA-C 111.024 -0.83 . . . . 1.0 111.024 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 553' ' ' SER . . . . . . . . . . . . . 1.9 t 48.45 78.62 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 0.773 . . . . 1.0 110.033 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 554' ' ' HIS . . . . . 0.562 ' CD2' ' HG2' ' A' ' 555' ' ' MET . 16.3 p-80 -146.82 -60.93 0.29 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 1.0 109.587 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 555' ' ' MET . . . . . 0.562 ' HG2' ' CD2' ' A' ' 554' ' ' HIS . 2.0 ptt? -159.98 129.86 5.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 1.0 110.98 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . -128.32 -162.1 10.92 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.489 1.118 . . . . 1.0 110.966 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 557' ' ' LYS . . . . . 0.576 ' O ' ' HG3' ' A' ' 585' ' ' PRO . 38.3 tttt -156.83 103.42 2.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 0.772 . . . . 1.0 109.289 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 558' ' ' ASP . . . . . 0.581 ' O ' ' HD3' ' A' ' 585' ' ' PRO . 0.8 OUTLIER -77.94 -107.68 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 1.0 109.325 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 559' ' ' CYS . . . . . 0.607 ' SG ' ' CD2' ' A' ' 562' ' ' HIS . 43.2 t -70.61 105.72 3.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 1.0 108.328 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 560' ' ' ILE . . . . . 0.76 HG22 ' HG2' ' A' ' 646' ' ' GLU . 3.6 mt -79.26 -60.87 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 1.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 561' ' ' MET . . . . . 0.473 ' SD ' ' CD1' ' A' ' 643' ' ' TRP . 0.0 OUTLIER -134.94 132.6 38.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 1.0 111.003 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 562' ' ' HIS . . . . . 0.607 ' CD2' ' SG ' ' A' ' 559' ' ' CYS . 2.0 p80 -142.72 156.81 45.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 1.0 109.564 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 563' ' ' GLY . . . . . 0.478 ' O ' ' CD1' ' A' ' 580' ' ' TYR . . . 148.42 -157.41 27.3 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.537 1.148 . . . . 1.0 110.985 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 564' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -88.9 127.71 35.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.519 0.776 . . . . 1.0 110.982 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 565' ' ' MET . . . . . 0.556 ' CE ' ' CE3' ' A' ' 643' ' ' TRP . 0.0 OUTLIER -142.9 123.62 14.16 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 1.0 111.02 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 566' ' ' SER . . . . . 0.48 ' OG ' ' O ' ' A' ' 633' ' ' GLN . 0.4 OUTLIER -93.02 127.41 38.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 1.0 109.997 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 567' ' ' LYS . . . . . 0.538 ' O ' ' CB ' ' A' ' 568' ' ' MET . 0.0 OUTLIER -156.31 137.19 13.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.438 1.086 . . . . 1.0 109.322 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 568' ' ' MET . . . . . 0.538 ' CB ' ' O ' ' A' ' 567' ' ' LYS . 0.1 OUTLIER 157.57 -179.97 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 1.0 110.963 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 569' ' ' GLY . . . . . 0.469 ' O ' ' O ' ' A' ' 568' ' ' MET . . . 53.52 162.77 0.01 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.48 1.112 . . . . 1.0 111.017 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 570' ' ' ASN . . . . . 0.636 ' CB ' ' HD3' ' A' ' 571' ' ' PRO . 0.3 OUTLIER -168.88 -59.46 0.01 OUTLIER Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.504 0.767 . . . . 1.0 109.31 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 571' ' ' PRO . . . . . 0.636 ' HD3' ' CB ' ' A' ' 570' ' ' ASN . 18.3 Cg_endo -74.97 -24.19 13.13 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.52 1.8 . . . . 1.0 110.987 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 572' ' ' PHE . . . . . 0.483 ' CE2' ' HG2' ' A' ' 571' ' ' PRO . 1.3 m-85 -128.96 81.28 2.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 1.0 110.98 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 573' ' ' LEU . . . . . 0.704 HD11 HG21 ' A' ' 631' ' ' ILE . 2.5 tp -86.15 82.84 7.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 1.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 574' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -123.01 -38.04 2.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 1.0 110.392 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 23.8 pt20 -144.38 118.74 9.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 1.0 110.275 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 576' ' ' TRP . . . . . 0.54 ' CD2' ' OE1' ' A' ' 633' ' ' GLN . 16.5 m-90 -86.96 171.26 10.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 1.0 108.004 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -137.82 131.08 30.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.11 . . . . 1.0 110.317 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 578' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.11 124.28 34.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 1.0 110.302 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 579' ' ' ARG . . . . . 0.537 ' O ' ' O ' ' A' ' 565' ' ' MET . 7.8 mtt180 -137.35 156.43 48.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 1.0 110.313 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 580' ' ' TYR . . . . . 0.478 ' CD1' ' O ' ' A' ' 563' ' ' GLY . 0.4 OUTLIER -91.52 124.39 35.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 1.0 111.01 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 581' ' ' PHE . . . . . 0.545 ' CE1' ' HB2' ' A' ' 590' ' ' TRP . 68.1 m-85 -122.77 174.88 6.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 1.0 110.991 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 582' ' ' TYR . . . . . 0.57 ' O ' ' HA ' ' A' ' 588' ' ' LEU . 88.9 m-85 -149.4 113.97 5.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 1.0 111.009 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 583' ' ' LEU . . . . . 0.82 HD12 ' HG ' ' A' ' 647' ' ' LEU . 0.7 OUTLIER -87.75 111.69 21.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 1.0 109.331 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 584' ' ' PHE . . . . . 0.601 ' CD2' ' HD2' ' A' ' 585' ' ' PRO . 0.2 OUTLIER -99.13 -177.14 0.55 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 1.0 110.994 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 585' ' ' PRO . . . . . 0.601 ' HD2' ' CD2' ' A' ' 584' ' ' PHE . 18.3 Cg_endo -74.99 -6.08 17.61 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.502 1.791 . . . . 1.0 111.005 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 586' ' ' ASN . . . . . 0.619 ' HA ' ' CG ' ' A' ' 603' ' ' MET . 45.3 m-80 -165.58 -38.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 1.0 109.278 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 587' ' ' ARG . . . . . 0.553 ' HA ' ' HA ' ' A' ' 602' ' ' THR . 0.1 OUTLIER -90.18 -168.9 2.25 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.473 1.108 . . . . 1.0 110.286 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 588' ' ' LEU . . . . . 0.57 ' HA ' ' O ' ' A' ' 582' ' ' TYR . 0.1 OUTLIER 177.72 119.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 1.0 109.292 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 589' ' ' GLU . . . . . 0.483 ' OE1' ' CD2' ' A' ' 600' ' ' LEU . 0.3 OUTLIER -95.26 142.84 27.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 1.0 110.302 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 590' ' ' TRP . . . . . 0.545 ' HB2' ' CE1' ' A' ' 581' ' ' PHE . 11.4 p-90 -134.45 106.48 7.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.14 . . . . 1.0 108.049 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -136.15 -178.86 5.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 1.0 110.309 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . 153.56 -129.69 2.75 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.495 1.122 . . . . 1.0 110.982 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -83.65 171.29 13.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 0.789 . . . . 1.0 110.283 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . 83.19 -131.35 10.31 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.531 1.145 . . . . 1.0 110.988 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 595' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -178.3 164.32 1.73 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 0.754 . . . . 1.0 110.323 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . -175.44 156.16 1.8 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 1.0 109.28 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 597' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -31.3 6.32 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.466 1.772 . . . . 1.0 111.005 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 598' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -155.18 153.24 30.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 1.0 110.294 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 599' ' ' SER . . . . . 0.449 ' O ' ' CD1' ' A' ' 590' ' ' TRP . 60.1 p -155.08 51.84 0.61 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 1.0 109.982 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 600' ' ' LEU . . . . . 0.579 HD13 ' N ' ' A' ' 601' ' ' LEU . 2.9 tm? -116.37 130.4 56.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 1.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 601' ' ' LEU . . . . . 0.579 ' N ' HD13 ' A' ' 600' ' ' LEU . 0.3 OUTLIER -139.9 176.54 8.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 1.0 109.336 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 602' ' ' THR . . . . . 0.553 ' HA ' ' HA ' ' A' ' 587' ' ' ARG . 0.0 OUTLIER -123.74 -159.68 0.87 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 1.0 110.365 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 603' ' ' MET . . . . . 0.619 ' CG ' ' HA ' ' A' ' 586' ' ' ASN . 0.1 OUTLIER -131.74 38.5 3.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 1.0 111.008 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 604' ' ' GLU . . . . . 0.461 ' HB3' ' HB1' ' A' ' 654' ' ' ALA . 8.2 pt-20 -125.43 59.0 1.27 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 1.0 110.285 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 605' ' ' GLU . . . . . 0.545 ' O ' ' C ' ' A' ' 606' ' ' ILE . 2.6 pt-20 -158.05 -53.9 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 1.0 110.301 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 606' ' ' ILE . . . . . 1.194 HG21 ' CD2' ' A' ' 651' ' ' TYR . 0.9 OUTLIER -29.46 136.98 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 1.0 109.285 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 607' ' ' GLN . . . . . 0.563 ' HG2' ' CB ' ' A' ' 625' ' ' ARG . 0.0 OUTLIER -89.16 -39.95 13.23 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.496 1.123 . . . . 1.0 110.297 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 3.1 m -173.72 134.29 0.48 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 1.0 110.022 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 609' ' ' VAL . . . . . 1.048 HG22 ' CD ' ' A' ' 644' ' ' LYS . 3.6 p -107.11 135.36 45.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 1.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 610' ' ' GLU . . . . . 0.903 ' HG3' HD23 ' A' ' 621' ' ' LEU . 0.4 OUTLIER -161.31 169.22 22.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 1.0 110.292 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 611' ' ' GLU . . . . . 0.671 ' HA ' ' HA ' ' A' ' 620' ' ' LEU . 22.4 tt0 -120.88 146.87 46.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 1.0 110.257 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 612' ' ' THR . . . . . 0.638 HG23 ' HG3' ' A' ' 618' ' ' LYS . 1.2 t -107.32 161.71 14.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 1.0 110.384 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 613' ' ' GLN . . . . . 0.441 ' HA ' ' N ' ' A' ' 618' ' ' LYS . 12.6 mp0 -130.07 168.25 17.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 1.0 110.234 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 614' ' ' ILE . . . . . 0.75 HG22 ' O ' ' A' ' 614' ' ' ILE . 0.1 OUTLIER -149.31 86.38 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 1.0 109.257 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 615' ' ' LYS . . . . . 0.455 ' HB3' ' O ' ' A' ' 614' ' ' ILE . 15.3 tttt 82.13 -32.98 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 1.0 109.306 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 616' ' ' GLU . . . . . 0.441 ' H ' ' C ' ' A' ' 614' ' ' ILE . 0.9 OUTLIER -156.38 -50.42 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 1.0 110.306 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 3.9 ttt-85 -155.86 142.21 18.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 1.0 110.294 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 618' ' ' LYS . . . . . 0.638 ' HG3' HG23 ' A' ' 612' ' ' THR . 9.3 tptp -124.29 -98.55 0.42 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.474 1.109 . . . . 1.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 619' ' ' CYS . . . . . 0.449 ' HB3' ' O ' ' A' ' 632' ' ' LEU . 0.8 OUTLIER -155.96 175.81 13.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 1.0 108.291 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 620' ' ' LEU . . . . . 1.086 ' CD1' HD12 ' A' ' 640' ' ' LEU . 0.7 OUTLIER -89.54 167.21 13.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.15 . . . . 1.0 109.325 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 621' ' ' LEU . . . . . 0.903 HD23 ' HG3' ' A' ' 610' ' ' GLU . 0.3 OUTLIER -132.61 158.9 41.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 1.0 109.269 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 622' ' ' LEU . . . . . 0.871 HD21 ' CE2' ' A' ' 651' ' ' TYR . 0.3 OUTLIER -154.82 89.67 1.25 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 1.0 109.315 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 623' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.47 137.67 32.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 1.0 109.272 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 624' ' ' ILE . . . . . 0.974 HG22 ' H ' ' A' ' 626' ' ' GLY . 90.9 mt -102.55 143.95 14.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 1.0 109.305 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 625' ' ' ARG . . . . . 0.563 ' CB ' ' HG2' ' A' ' 607' ' ' GLN . 21.5 ptt180 -78.87 3.27 17.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 1.0 110.3 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 626' ' ' GLY . . . . . 0.974 ' H ' HG22 ' A' ' 624' ' ' ILE . . . -84.41 -25.64 42.5 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.496 1.123 . . . . 1.0 111.048 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 125.05 -1.86 8.4 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 110.973 -0.851 . . . . 1.0 110.973 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 628' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.91 163.54 12.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 0.77 . . . . 1.0 109.259 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -141.81 152.96 44.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 1.0 110.273 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 630' ' ' PHE . . . . . 0.458 ' HB3' ' CG ' ' A' ' 567' ' ' LYS . 20.6 m-85 -141.44 146.43 36.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 1.0 111.024 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 631' ' ' ILE . . . . . 0.704 HG21 HD11 ' A' ' 573' ' ' LEU . 0.2 OUTLIER -105.37 112.53 39.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 1.0 109.321 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 632' ' ' LEU . . . . . 0.56 ' HG ' HD12 ' A' ' 622' ' ' LEU . 0.2 OUTLIER -83.01 137.54 34.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 1.0 109.295 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 633' ' ' GLN . . . . . 0.54 ' OE1' ' CD2' ' A' ' 576' ' ' TRP . 41.2 tt0 -157.13 136.91 12.38 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.502 1.126 . . . . 1.0 110.281 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 634' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -157.49 161.59 38.87 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 1.0 108.275 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 635' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.17 -20.45 37.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.095 . . . . 1.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 636' ' ' SER . . . . . 0.526 ' CB ' ' CG ' ' A' ' 639' ' ' GLU . 4.5 m -88.12 138.09 31.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 1.0 110.03 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 637' ' ' ASP . . . . . 0.679 ' N ' ' CD ' ' A' ' 638' ' ' PRO . 1.1 m-20 -82.87 -41.66 0.87 Allowed Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 1.0 109.339 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 638' ' ' PRO . . . . . 0.679 ' CD ' ' N ' ' A' ' 637' ' ' ASP . 18.2 Cg_endo -75.03 -54.37 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.511 1.795 . . . . 1.0 110.955 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 639' ' ' GLU . . . . . 0.538 ' C ' ' O ' ' A' ' 638' ' ' PRO . 20.6 mm-40 -26.95 -79.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 1.0 110.316 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 640' ' ' LEU . . . . . 1.086 HD12 ' CD1' ' A' ' 620' ' ' LEU . 0.2 OUTLIER -48.82 -46.1 41.42 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.475 1.11 . . . . 1.0 109.28 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 641' ' ' VAL . . . . . 0.624 HG12 ' N ' ' A' ' 642' ' ' GLN . 0.8 OUTLIER -46.69 -58.03 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 1.0 109.284 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 642' ' ' GLN . . . . . 0.624 ' N ' HG12 ' A' ' 641' ' ' VAL . 0.0 OUTLIER -62.14 -41.58 98.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.132 . . . . 1.0 110.27 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 643' ' ' TRP . . . . . 0.56 ' CZ3' ' HB2' ' A' ' 583' ' ' LEU . 20.0 m95 -53.35 -47.93 68.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 1.0 108.009 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 644' ' ' LYS . . . . . 1.048 ' CD ' HG22 ' A' ' 609' ' ' VAL . 0.0 OUTLIER -57.49 -62.55 1.7 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 1.0 109.28 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 645' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 644' ' ' LYS . 0.1 OUTLIER -37.44 -57.58 0.91 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.439 1.087 . . . . 1.0 109.34 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 646' ' ' GLU . . . . . 0.76 ' HG2' HG22 ' A' ' 560' ' ' ILE . 2.4 mp0 -68.84 -32.41 72.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 1.0 110.297 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 647' ' ' LEU . . . . . 0.923 HD22 ' OH ' ' A' ' 651' ' ' TYR . 10.9 mt -67.8 -62.09 1.57 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.437 1.086 . . . . 1.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 648' ' ' ARG . . . . . 0.577 ' N ' ' O ' ' A' ' 644' ' ' LYS . 9.1 ttp-105 -38.24 -55.47 1.32 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 1.0 110.27 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 649' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -59.09 -46.09 89.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 1.0 109.312 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 650' ' ' ALA . . . . . 0.548 ' O ' ' SD ' ' A' ' 603' ' ' MET . . . -48.34 -51.22 27.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 1.0 109.283 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 651' ' ' TYR . . . . . 1.194 ' CD2' HG21 ' A' ' 606' ' ' ILE . 2.1 m-30 -72.29 -38.83 68.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 1.0 110.994 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 652' ' ' ARG . . . . . 0.508 ' O ' ' HB2' ' A' ' 655' ' ' GLN . 0.0 OUTLIER -62.29 -64.55 0.89 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 1.0 110.282 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 653' ' ' GLU . . . . . 0.588 ' O ' HD13 ' A' ' 657' ' ' LEU . 1.5 mt-10 -44.01 -53.96 5.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 1.0 110.307 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 654' ' ' ALA . . . . . 0.58 ' HB2' ' HE3' ' A' ' 603' ' ' MET . . . -47.23 -38.6 12.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 1.0 109.288 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 655' ' ' GLN . . . . . 0.614 ' HA ' HG12 ' A' ' 658' ' ' VAL . 60.9 mt-30 -69.54 -68.32 0.42 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 1.0 110.261 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 656' ' ' GLN . . . . . 0.536 ' CG ' ' HA ' ' A' ' 653' ' ' GLU . 10.3 pt20 -51.02 -21.44 1.8 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 1.0 110.309 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 657' ' ' LEU . . . . . 0.588 HD13 ' O ' ' A' ' 653' ' ' GLU . 8.7 mp -86.55 -27.41 23.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 1.0 109.324 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 658' ' ' VAL . . . . . 0.614 HG12 ' HA ' ' A' ' 655' ' ' GLN . 3.2 p -108.02 13.65 8.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 1.0 109.261 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 659' ' ' GLN . . . . . 0.461 ' N ' ' O ' ' A' ' 655' ' ' GLN . 0.0 OUTLIER -64.22 -59.13 4.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 1.0 110.318 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 660' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.07 65.85 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 1.0 110.308 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 661' ' ' VAL . . . . . 0.421 ' O ' HG13 ' A' ' 661' ' ' VAL . 7.5 p -111.65 109.75 55.48 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.094 . . . . 1.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 662' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 127.18 10.51 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.519 1.799 . . . . 1.0 111.026 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -87.77 70.53 9.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.145 . . . . 1.0 109.313 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 664' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 61.64 85.14 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 1.0 110.999 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 665' ' ' LYS . . . . . 0.421 ' O ' ' CB ' ' A' ' 666' ' ' ASN . 3.7 tttt -151.16 -62.66 0.18 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 1.0 109.267 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 666' ' ' ASN . . . . . 0.421 ' CB ' ' O ' ' A' ' 665' ' ' LYS . 8.0 t-20 75.95 -58.11 0.55 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 1.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 20.5 tttm 48.07 91.42 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 1.0 109.324 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 668' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 58.58 4.91 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.439 1.757 . . . . 1.0 111.02 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 63.04 153.47 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 1.0 110.322 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 5.4 t . . . . . 0 C--O 1.25 1.094 0 CA-C-O 116.976 -1.487 . . . . 1.0 110.023 179.979 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.065 0 N-CA-C 110.993 -0.843 . . . . 1.0 110.993 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 553' ' ' SER . . . . . . . . . . . . . 4.7 m -149.4 158.44 44.18 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.504 0.767 . . . . 1.0 110.019 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 554' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -101.76 172.95 6.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 1.0 109.548 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 555' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -131.14 164.23 25.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 1.0 111.006 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . -121.24 -143.64 6.73 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.547 1.154 . . . . 1.0 110.992 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 31.1 tttt -130.61 -106.46 0.28 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.499 0.764 . . . . 1.0 109.256 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 558' ' ' ASP . . . . . 0.736 ' O ' ' CE2' ' A' ' 584' ' ' PHE . 25.0 t0 -152.49 22.81 0.62 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 1.0 109.346 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 559' ' ' CYS . . . . . . . . . . . . . 2.9 t -170.3 128.48 0.85 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 1.0 108.279 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 560' ' ' ILE . . . . . 0.83 HD11 ' HA ' ' A' ' 585' ' ' PRO . 11.1 mt -101.44 -57.56 4.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 1.0 109.319 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 561' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -147.48 150.85 35.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 1.0 111.019 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 562' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -150.42 151.77 33.3 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.444 1.09 . . . . 1.0 109.638 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 563' ' ' GLY . . . . . 0.401 ' N ' ' HZ2' ' A' ' 643' ' ' TRP . . . 166.06 -163.5 36.84 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.534 1.146 . . . . 1.0 111.035 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 564' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -94.16 126.61 39.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 0.734 . . . . 1.0 110.991 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 565' ' ' MET . . . . . 0.734 ' SD ' HD22 ' A' ' 640' ' ' LEU . 20.8 mtm -144.44 148.64 34.85 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.476 1.11 . . . . 1.0 110.976 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 566' ' ' SER . . . . . 0.486 ' O ' ' N ' ' A' ' 633' ' ' GLN . 0.1 OUTLIER -112.51 133.1 54.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 1.0 109.959 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 567' ' ' LYS . . . . . 0.616 ' HD3' ' CD1' ' A' ' 630' ' ' PHE . 2.0 tmmt? -160.34 146.81 15.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 1.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 568' ' ' MET . . . . . 0.416 ' N ' ' HG2' ' A' ' 567' ' ' LYS . 0.1 OUTLIER -162.17 171.94 16.6 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.432 1.083 . . . . 1.0 110.982 179.928 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 569' ' ' GLY . . . . . 0.411 ' C ' ' CG ' ' A' ' 570' ' ' ASN . . . -169.09 125.01 1.22 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.469 1.106 . . . . 1.0 110.979 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 570' ' ' ASN . . . . . 0.572 ' CB ' ' CD ' ' A' ' 571' ' ' PRO . 0.0 OUTLIER -166.24 -178.45 0.71 Allowed Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.419 0.717 . . . . 1.0 109.263 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 571' ' ' PRO . . . . . 0.572 ' CD ' ' CB ' ' A' ' 570' ' ' ASN . 18.2 Cg_endo -75.1 15.13 0.78 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.487 1.783 . . . . 1.0 110.97 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 572' ' ' PHE . . . . . 0.543 ' CE2' ' HG2' ' A' ' 571' ' ' PRO . 22.6 m-85 -142.4 87.28 2.0 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.542 1.151 . . . . 1.0 110.938 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -85.25 83.75 7.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.423 1.077 . . . . 1.0 109.355 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 574' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -158.21 -16.5 0.08 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.455 1.097 . . . . 1.0 110.454 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 575' ' ' GLN . . . . . 0.404 ' O ' ' CD1' ' A' ' 576' ' ' TRP . 5.6 pt20 -107.33 153.64 22.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.085 . . . . 1.0 110.308 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 576' ' ' TRP . . . . . 0.415 ' HA ' ' SD ' ' A' ' 568' ' ' MET . 1.3 m-90 -139.69 139.19 36.54 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.916 -1.142 . . . . 1.0 107.916 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -127.46 136.11 51.34 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.556 1.16 . . . . 1.0 110.265 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 578' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -96.37 118.92 33.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 1.0 110.292 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 579' ' ' ARG . . . . . 0.579 ' O ' ' O ' ' A' ' 565' ' ' MET . 1.3 mtt180 -137.84 168.87 18.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 1.0 110.269 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 580' ' ' TYR . . . . . 0.624 ' CD1' ' CE1' ' A' ' 582' ' ' TYR . 0.8 OUTLIER -89.34 127.69 35.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.4 1.062 . . . . 1.0 110.989 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 581' ' ' PHE . . . . . 0.559 ' CE2' ' HB3' ' A' ' 590' ' ' TRP . 2.7 m-85 -117.82 169.96 9.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 1.0 111.067 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 582' ' ' TYR . . . . . 0.624 ' CE1' ' CD1' ' A' ' 580' ' ' TYR . 39.8 m-85 -153.24 109.8 3.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 1.0 111.005 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 583' ' ' LEU . . . . . 0.93 HD12 ' HG ' ' A' ' 647' ' ' LEU . 1.0 OUTLIER -88.86 115.81 26.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 1.0 109.285 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 584' ' ' PHE . . . . . 0.736 ' CE2' ' O ' ' A' ' 558' ' ' ASP . 0.3 OUTLIER -104.88 179.05 1.0 Allowed Pre-proline 0 C--N 1.324 -0.534 0 O-C-N 124.584 1.178 . . . . 1.0 110.931 -179.955 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 585' ' ' PRO . . . . . 0.83 ' HA ' HD11 ' A' ' 560' ' ' ILE . 18.6 Cg_endo -74.98 -2.03 12.0 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.42 1.748 . . . . 1.0 110.935 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 586' ' ' ASN . . . . . 0.812 ' O ' ' HG3' ' A' ' 603' ' ' MET . 3.5 m120 -164.74 -41.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.421 1.075 . . . . 1.0 109.289 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 587' ' ' ARG . . . . . 0.58 ' HA ' ' HA ' ' A' ' 602' ' ' THR . 0.1 OUTLIER -91.36 -173.14 3.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 1.09 . . . . 1.0 110.327 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 588' ' ' LEU . . . . . 0.619 ' HA ' ' O ' ' A' ' 582' ' ' TYR . 0.1 OUTLIER 178.97 116.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.4 1.062 . . . . 1.0 109.311 -179.924 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 589' ' ' GLU . . . . . 0.442 ' N ' HD12 ' A' ' 588' ' ' LEU . 5.3 tt0 -94.54 142.2 27.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 1.0 110.246 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 590' ' ' TRP . . . . . 0.559 ' HB3' ' CE2' ' A' ' 581' ' ' PHE . 0.3 OUTLIER -141.68 95.72 2.86 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 107.985 -1.117 . . . . 1.0 107.985 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 591' ' ' ARG . . . . . 0.465 ' NH1' ' O ' ' A' ' 597' ' ' PRO . 1.5 mmt180 -139.04 -173.7 3.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.438 1.086 . . . . 1.0 110.348 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . -175.22 -175.09 42.37 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.409 1.068 . . . . 1.0 110.995 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -66.73 176.9 1.79 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 0.777 . . . . 1.0 110.348 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . 92.85 -103.19 3.02 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.428 1.08 . . . . 1.0 111.01 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 595' ' ' GLU . . . . . 0.467 ' O ' ' HB2' ' A' ' 596' ' ' ALA . 2.7 tt0 -175.21 145.99 0.81 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.466 0.744 . . . . 1.0 110.301 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 596' ' ' ALA . . . . . 0.467 ' HB2' ' O ' ' A' ' 595' ' ' GLU . . . 177.33 160.42 0.53 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.416 1.073 . . . . 1.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 597' ' ' PRO . . . . . 0.465 ' O ' ' NH1' ' A' ' 591' ' ' ARG . 18.3 Cg_endo -74.98 -163.55 0.19 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.471 1.774 . . . . 1.0 110.981 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 598' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.57 120.7 26.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 1.0 110.335 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 599' ' ' SER . . . . . 0.467 ' HB2' ' CE2' ' A' ' 590' ' ' TRP . 74.5 p -126.77 89.43 2.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 1.0 110.048 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -138.99 107.31 5.79 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.412 1.07 . . . . 1.0 109.352 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 601' ' ' LEU . . . . . 0.796 HD23 ' OE2' ' A' ' 605' ' ' GLU . 1.1 tp -108.54 -174.92 2.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 1.0 109.266 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 602' ' ' THR . . . . . 0.8 HG22 ' O ' ' A' ' 586' ' ' ASN . 0.1 OUTLIER -114.29 -162.72 0.83 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 1.0 110.398 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 603' ' ' MET . . . . . 0.962 ' SD ' ' HB2' ' A' ' 654' ' ' ALA . 0.0 OUTLIER -123.77 39.16 4.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 1.0 111.045 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 604' ' ' GLU . . . . . 0.588 ' HB3' ' HB1' ' A' ' 654' ' ' ALA . 13.6 pt-20 -125.89 58.23 1.34 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.45 1.094 . . . . 1.0 110.231 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 605' ' ' GLU . . . . . 0.796 ' OE2' HD23 ' A' ' 601' ' ' LEU . 4.0 pt-20 -158.7 -53.55 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 1.0 110.254 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 606' ' ' ILE . . . . . 1.232 HG21 ' CD2' ' A' ' 651' ' ' TYR . 0.9 OUTLIER -32.43 139.41 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.437 1.086 . . . . 1.0 109.349 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 607' ' ' GLN . . . . . 0.585 ' HG3' ' HA ' ' A' ' 625' ' ' ARG . 0.6 OUTLIER -92.79 -37.67 12.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 1.0 110.335 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 608' ' ' SER . . . . . 0.422 ' HB2' ' HD3' ' A' ' 623' ' ' LYS . 3.4 m -174.05 135.24 0.47 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.383 1.052 . . . . 1.0 110.019 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 609' ' ' VAL . . . . . 0.941 HG22 ' CD ' ' A' ' 644' ' ' LYS . 3.2 p -109.34 138.98 34.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.539 1.149 . . . . 1.0 109.261 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 610' ' ' GLU . . . . . 0.827 ' HG3' HD23 ' A' ' 621' ' ' LEU . 0.1 OUTLIER -158.71 -163.71 1.3 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.631 1.207 . . . . 1.0 110.347 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 611' ' ' GLU . . . . . 0.561 ' HA ' ' HA ' ' A' ' 620' ' ' LEU . 21.2 tt0 -140.54 147.33 39.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.568 1.168 . . . . 1.0 110.324 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 612' ' ' THR . . . . . 0.811 HG23 ' HG3' ' A' ' 618' ' ' LYS . 0.0 OUTLIER -111.65 163.71 13.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 1.0 110.431 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 613' ' ' GLN . . . . . 0.402 ' HA ' ' N ' ' A' ' 618' ' ' LYS . 7.8 mp0 -129.56 165.39 21.8 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.548 1.155 . . . . 1.0 110.344 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 614' ' ' ILE . . . . . 0.778 HG22 ' O ' ' A' ' 614' ' ' ILE . 0.1 OUTLIER -148.87 83.95 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.569 1.168 . . . . 1.0 109.279 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 615' ' ' LYS . . . . . 0.432 ' HB2' ' O ' ' A' ' 614' ' ' ILE . 0.1 OUTLIER 81.51 -32.92 0.1 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.512 1.132 . . . . 1.0 109.242 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 616' ' ' GLU . . . . . 0.448 ' H ' ' C ' ' A' ' 614' ' ' ILE . 3.0 tt0 -156.92 -47.95 0.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.581 1.176 . . . . 1.0 110.296 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 617' ' ' ARG . . . . . 0.524 ' CZ ' ' OD2' ' A' ' 637' ' ' ASP . 1.2 ttt180 -156.09 138.95 15.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.133 . . . . 1.0 110.215 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 618' ' ' LYS . . . . . 0.811 ' HG3' HG23 ' A' ' 612' ' ' THR . 7.5 tptt -119.2 -98.2 0.45 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.153 . . . . 1.0 109.267 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 619' ' ' CYS . . . . . 0.497 ' HB3' ' O ' ' A' ' 632' ' ' LEU . 39.4 m -156.6 -171.42 3.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.571 1.17 . . . . 1.0 108.286 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 620' ' ' LEU . . . . . 1.04 HD13 ' CD1' ' A' ' 640' ' ' LEU . 0.1 OUTLIER -96.66 147.35 23.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.595 1.184 . . . . 1.0 109.263 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 621' ' ' LEU . . . . . 0.827 HD23 ' HG3' ' A' ' 610' ' ' GLU . 7.1 tp -102.37 156.95 17.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 1.0 109.369 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 622' ' ' LEU . . . . . 0.907 HD12 HD11 ' A' ' 632' ' ' LEU . 0.7 OUTLIER -160.25 84.6 0.72 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.57 1.169 . . . . 1.0 109.365 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 623' ' ' LYS . . . . . 0.422 ' HD3' ' HB2' ' A' ' 608' ' ' SER . 0.0 OUTLIER -90.23 136.18 33.21 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.546 1.154 . . . . 1.0 109.272 -179.946 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 624' ' ' ILE . . . . . 0.889 HD13 HG13 ' A' ' 606' ' ' ILE . 1.7 mm -98.68 143.94 12.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.431 1.082 . . . . 1.0 109.266 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 625' ' ' ARG . . . . . 0.585 ' HA ' ' HG3' ' A' ' 607' ' ' GLN . 0.0 OUTLIER -78.51 3.46 15.93 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.432 1.082 . . . . 1.0 110.306 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 626' ' ' GLY . . . . . 0.849 ' H ' HG22 ' A' ' 624' ' ' ILE . . . -87.03 -29.81 21.97 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.526 1.141 . . . . 1.0 110.955 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 133.36 -6.52 4.98 Favored Glycine 0 CA--C 1.531 1.045 0 N-CA-C 111.029 -0.828 . . . . 1.0 111.029 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 628' ' ' LYS . . . . . . . . . . . . . 21.4 mtmt -98.67 167.15 10.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 0.753 . . . . 1.0 109.259 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -140.33 142.32 35.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 1.0 110.247 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 630' ' ' PHE . . . . . 0.616 ' CD1' ' HD3' ' A' ' 567' ' ' LYS . 0.5 OUTLIER -132.7 159.38 39.82 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.574 1.171 . . . . 1.0 111.001 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 631' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -137.87 125.05 28.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.382 1.051 . . . . 1.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 632' ' ' LEU . . . . . 0.907 HD11 HD12 ' A' ' 622' ' ' LEU . 0.4 OUTLIER -93.52 152.01 19.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 1.0 109.305 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 633' ' ' GLN . . . . . 0.486 ' N ' ' O ' ' A' ' 566' ' ' SER . 8.0 tp60 -155.34 114.92 3.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.098 . . . . 1.0 110.35 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 634' ' ' CYS . . . . . 0.596 ' HB2' HD23 ' A' ' 640' ' ' LEU . 0.2 OUTLIER -126.35 159.74 32.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.159 . . . . 1.0 108.328 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 635' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.77 -22.29 46.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 1.0 109.226 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 636' ' ' SER . . . . . 0.569 ' HB2' ' CG ' ' A' ' 639' ' ' GLU . 1.5 m -90.14 157.03 17.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 1.0 109.99 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 637' ' ' ASP . . . . . 0.693 ' N ' ' CD ' ' A' ' 638' ' ' PRO . 0.3 OUTLIER -91.77 -40.86 0.37 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 1.0 109.337 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 638' ' ' PRO . . . . . 0.693 ' CD ' ' N ' ' A' ' 637' ' ' ASP . 18.5 Cg_endo -74.99 -55.54 0.07 OUTLIER 'Trans proline' 0 C--N 1.358 1.07 0 O-C-N 124.485 1.781 . . . . 1.0 111.04 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 639' ' ' GLU . . . . . 0.584 ' C ' ' O ' ' A' ' 638' ' ' PRO . 13.8 mm-40 -23.05 -83.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 1.0 110.336 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 640' ' ' LEU . . . . . 1.04 ' CD1' HD13 ' A' ' 620' ' ' LEU . 0.2 OUTLIER -47.83 -46.72 31.22 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.537 1.148 . . . . 1.0 109.349 179.927 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 641' ' ' VAL . . . . . 0.61 HG12 ' N ' ' A' ' 642' ' ' GLN . 0.8 OUTLIER -46.23 -57.3 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 1.0 109.331 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 642' ' ' GLN . . . . . 0.61 ' N ' HG12 ' A' ' 641' ' ' VAL . 0.0 OUTLIER -63.68 -41.45 98.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 1.0 110.24 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 643' ' ' TRP . . . . . 0.533 ' CZ3' ' CB ' ' A' ' 583' ' ' LEU . 19.5 m95 -53.66 -46.2 70.51 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.567 1.167 . . . . 1.0 108.007 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 644' ' ' LYS . . . . . 0.941 ' CD ' HG22 ' A' ' 609' ' ' VAL . 0.1 OUTLIER -56.18 -59.08 5.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 1.0 109.291 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 645' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 644' ' ' LYS . 0.1 OUTLIER -38.9 -54.38 1.65 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 1.0 109.292 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 646' ' ' GLU . . . . . 0.617 ' HG2' HG22 ' A' ' 560' ' ' ILE . 0.2 OUTLIER -70.06 -35.11 74.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.588 1.18 . . . . 1.0 110.346 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 647' ' ' LEU . . . . . 0.93 ' HG ' HD12 ' A' ' 583' ' ' LEU . 5.4 mt -65.65 -60.39 2.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 1.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 648' ' ' ARG . . . . . 0.529 ' N ' ' O ' ' A' ' 644' ' ' LYS . 2.5 ttm180 -39.58 -51.91 2.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 1.0 110.291 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 649' ' ' ASP . . . . . 0.492 ' O ' ' N ' ' A' ' 653' ' ' GLU . 12.7 t0 -61.36 -42.07 98.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 1.0 109.352 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 650' ' ' ALA . . . . . 0.513 ' HB1' ' CB ' ' A' ' 603' ' ' MET . . . -53.28 -53.69 47.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 1.0 109.325 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 651' ' ' TYR . . . . . 1.232 ' CD2' HG21 ' A' ' 606' ' ' ILE . 5.9 m-30 -67.93 -29.38 68.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 1.0 110.972 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 652' ' ' ARG . . . . . 0.533 ' O ' ' HG2' ' A' ' 655' ' ' GLN . 0.0 OUTLIER -76.57 -70.73 0.43 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 1.0 110.273 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 653' ' ' GLU . . . . . 0.492 ' N ' ' O ' ' A' ' 649' ' ' ASP . 34.1 mt-10 -36.25 -33.17 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.424 1.077 . . . . 1.0 110.286 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 654' ' ' ALA . . . . . 0.962 ' HB2' ' SD ' ' A' ' 603' ' ' MET . . . -79.01 -51.04 10.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.087 . . . . 1.0 109.245 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 655' ' ' GLN . . . . . 0.533 ' HG2' ' O ' ' A' ' 652' ' ' ARG . 1.1 pt20 -49.2 -40.05 32.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.103 . . . . 1.0 110.185 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 656' ' ' GLN . . . . . 0.508 ' N ' ' HG3' ' A' ' 655' ' ' GLN . 1.0 OUTLIER -62.71 -16.17 56.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 1.0 110.295 -179.913 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 657' ' ' LEU . . . . . 0.504 ' CD1' ' HA ' ' A' ' 654' ' ' ALA . 5.3 mt -88.12 -34.88 17.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 1.0 109.239 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 658' ' ' VAL . . . . . 0.536 ' O ' HG13 ' A' ' 658' ' ' VAL . 0.4 OUTLIER -104.71 17.93 5.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.573 1.17 . . . . 1.0 109.257 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 659' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.79 45.33 1.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.418 1.074 . . . . 1.0 110.368 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 660' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -86.95 14.24 7.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 1.0 110.231 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 661' ' ' VAL . . . . . 0.405 ' H ' HG22 ' A' ' 661' ' ' VAL . 0.9 OUTLIER -80.56 114.43 47.66 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.488 1.117 . . . . 1.0 109.229 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 662' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -179.31 4.87 Favored 'Trans proline' 0 C--N 1.359 1.084 0 O-C-N 124.433 1.754 . . . . 1.0 110.876 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 6.9 pttt -101.06 -36.28 9.05 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.534 1.146 . . . . 1.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 664' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -162.56 57.26 0.22 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.52 1.138 . . . . 1.0 110.901 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.61 62.66 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.578 1.174 . . . . 1.0 109.262 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 666' ' ' ASN . . . . . . . . . . . . . 37.9 t30 -96.15 67.25 2.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 1.0 109.291 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 2.9 ptmm? -67.5 147.52 98.76 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.43 1.081 . . . . 1.0 109.325 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 668' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 55.85 4.04 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.466 1.771 . . . . 1.0 110.948 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 6.7 ttt180 55.83 167.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.571 1.17 . . . . 1.0 110.366 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 16.8 t . . . . . 0 C--O 1.25 1.085 0 CA-C-O 117.039 -1.457 . . . . 1.0 109.922 -179.937 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 111.005 -0.838 . . . . 1.0 111.005 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 553' ' ' SER . . . . . . . . . . . . . 14.4 m 66.02 117.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.558 0.799 . . . . 1.0 109.954 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 554' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -175.29 72.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.551 1.157 . . . . 1.0 109.625 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 555' ' ' MET . . . . . . . . . . . . . 18.7 mmt -153.89 149.78 27.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 1.0 110.963 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . 160.89 166.5 19.76 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.462 1.101 . . . . 1.0 110.93 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 5.6 tmtt? -152.57 70.45 0.9 Allowed 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.473 0.749 . . . . 1.0 109.29 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 558' ' ' ASP . . . . . 0.49 ' O ' ' HD3' ' A' ' 585' ' ' PRO . 6.0 p-10 -155.16 108.39 2.8 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.409 1.068 . . . . 1.0 109.235 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 559' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -69.15 141.57 54.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 1.0 108.349 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 560' ' ' ILE . . . . . 0.617 HD11 ' HA ' ' A' ' 585' ' ' PRO . 7.5 mt -84.61 -53.97 9.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.449 1.093 . . . . 1.0 109.32 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 561' ' ' MET . . . . . 0.51 ' HB2' ' OE1' ' A' ' 646' ' ' GLU . 0.0 OUTLIER -140.63 162.36 35.58 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.618 1.199 . . . . 1.0 111.034 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 562' ' ' HIS . . . . . . . . . . . . . 2.6 p80 -155.79 174.72 14.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.099 . . . . 1.0 109.626 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 563' ' ' GLY . . . . . . . . . . . . . . . 132.37 -161.49 23.93 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.441 1.088 . . . . 1.0 111.019 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 564' ' ' TYR . . . . . 0.402 ' HE1' ' CA ' ' A' ' 579' ' ' ARG . 0.2 OUTLIER -91.47 127.64 36.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.583 0.814 . . . . 1.0 111.024 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 565' ' ' MET . . . . . 0.588 ' O ' ' O ' ' A' ' 579' ' ' ARG . 0.0 OUTLIER -143.67 131.57 21.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 1.0 111.018 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 566' ' ' SER . . . . . 0.427 ' HB2' ' HA ' ' A' ' 578' ' ' ARG . 0.2 OUTLIER -105.78 140.03 39.45 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.591 1.182 . . . . 1.0 109.978 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 567' ' ' LYS . . . . . 0.597 ' HD3' ' CD1' ' A' ' 630' ' ' PHE . 0.8 OUTLIER -160.69 157.51 27.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 1.0 109.242 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 568' ' ' MET . . . . . 0.499 ' CE ' ' OE1' ' A' ' 633' ' ' GLN . 0.1 OUTLIER -179.14 175.61 0.95 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 1.0 111.03 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 569' ' ' GLY . . . . . 0.405 ' C ' ' CG ' ' A' ' 570' ' ' ASN . . . -174.66 120.75 0.8 Allowed Glycine 0 CA--C 1.531 1.085 0 O-C-N 124.473 1.108 . . . . 1.0 110.963 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 570' ' ' ASN . . . . . 0.501 ' C ' ' H ' ' A' ' 572' ' ' PHE . 0.0 OUTLIER -165.57 176.15 2.11 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.583 0.814 . . . . 1.0 109.242 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 571' ' ' PRO . . . . . 0.472 ' CD ' ' CB ' ' A' ' 570' ' ' ASN . 18.2 Cg_endo -75.11 22.23 0.43 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.469 1.773 . . . . 1.0 110.905 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 572' ' ' PHE . . . . . 0.501 ' H ' ' C ' ' A' ' 570' ' ' ASN . 18.7 m-85 -143.5 86.91 1.91 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 1.0 111.016 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -86.46 85.86 7.32 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.5 1.125 . . . . 1.0 109.355 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 574' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -159.79 -27.77 0.07 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.521 1.138 . . . . 1.0 110.474 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 575' ' ' GLN . . . . . 0.587 ' O ' ' CD1' ' A' ' 576' ' ' TRP . 14.6 pt20 -87.82 165.25 15.44 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.113 . . . . 1.0 110.234 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 576' ' ' TRP . . . . . 0.587 ' CD1' ' O ' ' A' ' 575' ' ' GLN . 2.5 m-90 -146.17 129.4 16.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.565 1.166 . . . . 1.0 107.984 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 577' ' ' GLN . . . . . 0.404 ' O ' ' HB2' ' A' ' 566' ' ' SER . 4.8 pt20 -119.47 113.81 21.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 1.0 110.318 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 578' ' ' ARG . . . . . 0.427 ' HA ' ' HB2' ' A' ' 566' ' ' SER . 0.1 OUTLIER -94.25 113.78 25.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 1.0 110.314 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 579' ' ' ARG . . . . . 0.588 ' O ' ' O ' ' A' ' 565' ' ' MET . 18.3 mtp180 -135.33 164.93 26.62 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.61 1.194 . . . . 1.0 110.332 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 580' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -89.08 129.3 35.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 1.0 110.92 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 581' ' ' PHE . . . . . 0.591 ' CZ ' ' HB3' ' A' ' 590' ' ' TRP . 2.7 m-85 -118.15 175.46 5.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.144 . . . . 1.0 111.048 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 582' ' ' TYR . . . . . 0.516 ' O ' ' HA ' ' A' ' 588' ' ' LEU . 60.6 m-85 -152.84 122.46 6.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 1.0 110.974 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 583' ' ' LEU . . . . . 0.773 ' HB2' ' CZ3' ' A' ' 643' ' ' TRP . 5.5 tp -92.59 114.65 27.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.147 . . . . 1.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 584' ' ' PHE . . . . . 0.556 ' HB2' ' C ' ' A' ' 587' ' ' ARG . 7.3 m-85 -106.58 172.59 3.76 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.419 1.075 . . . . 1.0 110.997 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 585' ' ' PRO . . . . . 0.667 ' O ' ' HE1' ' A' ' 603' ' ' MET . 18.1 Cg_endo -75.03 8.81 2.26 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.541 1.811 . . . . 1.0 111.007 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 586' ' ' ASN . . . . . 0.759 ' HA ' ' CG ' ' A' ' 603' ' ' MET . 39.1 m-20 -176.72 -38.81 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.524 1.14 . . . . 1.0 109.338 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 587' ' ' ARG . . . . . 0.649 ' HA ' ' HA ' ' A' ' 602' ' ' THR . 2.6 mtt-85 -87.91 -168.66 2.29 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 1.0 110.254 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 588' ' ' LEU . . . . . 0.519 HD12 ' C ' ' A' ' 588' ' ' LEU . 0.1 OUTLIER 179.45 109.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 1.0 109.348 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 589' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -91.22 147.11 23.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.458 1.099 . . . . 1.0 110.263 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 590' ' ' TRP . . . . . 0.591 ' HB3' ' CZ ' ' A' ' 581' ' ' PHE . 0.1 OUTLIER -149.71 94.67 2.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 1.0 107.993 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.86 -172.88 3.35 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.354 1.034 . . . . 1.0 110.352 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . -173.74 -166.74 32.43 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.511 1.132 . . . . 1.0 111.053 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 593' ' ' GLU . . . . . 0.43 ' CD ' ' C ' ' A' ' 593' ' ' GLU . 0.0 OUTLIER -85.5 178.55 7.38 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.506 0.768 . . . . 1.0 110.242 -179.939 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . 95.03 -101.82 2.77 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.507 1.13 . . . . 1.0 110.973 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 595' ' ' GLU . . . . . 0.5 ' O ' ' HB2' ' A' ' 596' ' ' ALA . 0.8 OUTLIER -173.62 140.28 0.78 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.419 0.717 . . . . 1.0 110.279 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 596' ' ' ALA . . . . . 0.5 ' HB2' ' O ' ' A' ' 595' ' ' GLU . . . 175.68 161.65 0.42 Allowed Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.483 1.115 . . . . 1.0 109.325 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 597' ' ' PRO . . . . . 0.423 ' HD2' ' HB1' ' A' ' 596' ' ' ALA . 18.3 Cg_endo -75.03 -162.58 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.573 1.828 . . . . 1.0 110.938 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 598' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -85.05 131.2 34.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 1.0 110.319 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 599' ' ' SER . . . . . 0.471 ' HB3' ' CD2' ' A' ' 590' ' ' TRP . 15.9 m -133.62 92.05 2.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 1.0 109.99 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 600' ' ' LEU . . . . . 0.793 HD22 ' C ' ' A' ' 600' ' ' LEU . 0.0 OUTLIER -140.4 140.46 35.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 1.0 109.322 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 4.0 mt -142.14 -171.69 3.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 1.0 109.312 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 602' ' ' THR . . . . . 0.702 HG22 ' O ' ' A' ' 586' ' ' ASN . 0.0 OUTLIER -114.23 -167.35 1.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 1.0 110.356 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 603' ' ' MET . . . . . 0.759 ' CG ' ' HA ' ' A' ' 586' ' ' ASN . 0.1 OUTLIER -127.05 34.78 4.69 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.399 1.062 . . . . 1.0 111.023 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 604' ' ' GLU . . . . . 0.659 ' HB3' ' HB1' ' A' ' 654' ' ' ALA . 3.9 pt-20 -124.84 60.96 1.17 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.44 1.088 . . . . 1.0 110.361 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 605' ' ' GLU . . . . . 0.494 ' O ' ' C ' ' A' ' 606' ' ' ILE . 3.7 pt-20 -159.29 -51.04 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.117 . . . . 1.0 110.271 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 606' ' ' ILE . . . . . 1.271 HG21 ' CD2' ' A' ' 651' ' ' TYR . 0.9 OUTLIER -33.84 142.28 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.549 1.156 . . . . 1.0 109.298 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 607' ' ' GLN . . . . . 0.622 ' HG2' ' CB ' ' A' ' 625' ' ' ARG . 0.0 OUTLIER -93.75 -38.94 11.02 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.524 1.14 . . . . 1.0 110.27 -179.931 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -173.46 136.76 0.61 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 1.0 109.901 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 609' ' ' VAL . . . . . 0.917 HG22 ' CD ' ' A' ' 644' ' ' LYS . 5.3 p -109.96 141.47 25.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 1.0 109.332 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 610' ' ' GLU . . . . . 0.888 ' CD ' HD23 ' A' ' 621' ' ' LEU . 0.4 OUTLIER -161.16 -169.65 2.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 1.0 110.306 -179.937 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 611' ' ' GLU . . . . . 0.618 ' HA ' ' HA ' ' A' ' 620' ' ' LEU . 26.2 tt0 -137.83 149.07 46.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.153 . . . . 1.0 110.328 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 612' ' ' THR . . . . . 0.832 HG23 ' HG3' ' A' ' 618' ' ' LYS . 0.0 OUTLIER -114.74 165.99 12.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 1.0 110.339 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 613' ' ' GLN . . . . . 0.4 ' CA ' ' HB3' ' A' ' 618' ' ' LYS . 10.7 mp0 -133.57 160.9 36.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 1.0 110.337 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 614' ' ' ILE . . . . . 0.785 HG22 ' O ' ' A' ' 614' ' ' ILE . 0.2 OUTLIER -144.84 86.09 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 O-C-N 124.562 1.164 . . . . 1.0 109.282 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 615' ' ' LYS . . . . . 0.412 ' CB ' ' O ' ' A' ' 614' ' ' ILE . 10.5 mmtm 81.9 -35.37 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.432 1.082 . . . . 1.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 616' ' ' GLU . . . . . 0.44 ' H ' ' C ' ' A' ' 614' ' ' ILE . 1.4 tt0 -155.6 -48.73 0.08 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.45 1.094 . . . . 1.0 110.288 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 5.6 ttt85 -153.41 138.11 16.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.57 1.169 . . . . 1.0 110.343 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 618' ' ' LYS . . . . . 0.832 ' HG3' HG23 ' A' ' 612' ' ' THR . 9.3 tptt -118.83 -97.52 0.46 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.438 1.086 . . . . 1.0 109.242 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 619' ' ' CYS . . . . . 0.498 ' O ' ' CG ' ' A' ' 611' ' ' GLU . 18.0 m -158.36 -169.77 2.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 1.0 108.251 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 620' ' ' LEU . . . . . 1.057 HD13 HD12 ' A' ' 640' ' ' LEU . 0.1 OUTLIER -102.94 148.33 25.81 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.541 1.151 . . . . 1.0 109.299 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 621' ' ' LEU . . . . . 0.888 HD23 ' CD ' ' A' ' 610' ' ' GLU . 4.9 tp -103.5 156.54 17.69 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.486 1.116 . . . . 1.0 109.306 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 622' ' ' LEU . . . . . 0.885 HD12 HD11 ' A' ' 632' ' ' LEU . 0.9 OUTLIER -157.14 84.37 0.93 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.449 1.093 . . . . 1.0 109.305 179.934 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 623' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.28 138.26 31.59 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.534 1.146 . . . . 1.0 109.349 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 624' ' ' ILE . . . . . 0.925 HG22 ' H ' ' A' ' 626' ' ' GLY . 35.9 mt -103.99 145.02 13.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 1.0 109.233 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 625' ' ' ARG . . . . . 0.622 ' CB ' ' HG2' ' A' ' 607' ' ' GLN . 5.0 ptm180 -79.91 2.17 24.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 1.0 110.338 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 626' ' ' GLY . . . . . 0.925 ' H ' HG22 ' A' ' 624' ' ' ILE . . . -89.49 -21.33 41.1 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.492 1.12 . . . . 1.0 110.993 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 116.99 43.52 0.61 Allowed Glycine 0 CA--C 1.53 0.986 0 N-CA-C 110.976 -0.85 . . . . 1.0 110.976 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 628' ' ' LYS . . . . . . . . . . . . . 11.9 mttt -139.56 171.38 14.32 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.478 0.752 . . . . 1.0 109.303 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 15.9 mp0 -149.91 126.86 11.15 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.51 1.131 . . . . 1.0 110.337 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 630' ' ' PHE . . . . . 0.597 ' CD1' ' HD3' ' A' ' 567' ' ' LYS . 1.0 OUTLIER -123.53 167.78 13.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.425 1.078 . . . . 1.0 111.044 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 631' ' ' ILE . . . . . 0.503 ' O ' ' HG2' ' A' ' 567' ' ' LYS . 0.2 OUTLIER -144.64 115.67 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 1.0 109.248 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 632' ' ' LEU . . . . . 0.885 HD11 HD12 ' A' ' 622' ' ' LEU . 0.5 OUTLIER -84.03 154.28 23.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.563 1.165 . . . . 1.0 109.276 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 633' ' ' GLN . . . . . 0.499 ' OE1' ' CE ' ' A' ' 568' ' ' MET . 4.0 mt-30 -154.39 133.42 12.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 1.0 110.326 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 634' ' ' CYS . . . . . . . . . . . . . 1.6 t -155.45 162.53 40.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.535 1.147 . . . . 1.0 108.271 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 635' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -84.17 -16.68 42.61 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.112 . . . . 1.0 109.329 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 636' ' ' SER . . . . . 0.598 ' CB ' ' CG ' ' A' ' 639' ' ' GLU . 1.0 OUTLIER -86.93 133.66 33.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 1.0 109.941 -179.892 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 637' ' ' ASP . . . . . 0.662 ' N ' ' CD ' ' A' ' 638' ' ' PRO . 1.2 m-20 -78.29 -43.12 2.11 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.428 1.08 . . . . 1.0 109.319 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 638' ' ' PRO . . . . . 0.662 ' CD ' ' N ' ' A' ' 637' ' ' ASP . 18.0 Cg_endo -75.01 -51.18 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.592 1.838 . . . . 1.0 110.998 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 639' ' ' GLU . . . . . 0.598 ' CG ' ' CB ' ' A' ' 636' ' ' SER . 58.9 mm-40 -26.52 -80.66 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.487 1.117 . . . . 1.0 110.339 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 640' ' ' LEU . . . . . 1.057 HD12 HD13 ' A' ' 620' ' ' LEU . 0.2 OUTLIER -49.89 -45.37 50.67 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.489 1.118 . . . . 1.0 109.343 179.941 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 641' ' ' VAL . . . . . 0.62 HG12 ' N ' ' A' ' 642' ' ' GLN . 0.8 OUTLIER -47.24 -58.0 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.529 1.143 . . . . 1.0 109.29 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 642' ' ' GLN . . . . . 0.62 ' N ' HG12 ' A' ' 641' ' ' VAL . 1.1 tt0 -64.8 -38.5 91.19 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.55 1.156 . . . . 1.0 110.187 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 643' ' ' TRP . . . . . 0.773 ' CZ3' ' HB2' ' A' ' 583' ' ' LEU . 20.6 m95 -57.45 -41.65 80.93 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 1.0 108.049 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 644' ' ' LYS . . . . . 0.917 ' CD ' HG22 ' A' ' 609' ' ' VAL . 0.0 OUTLIER -60.15 -57.1 14.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 1.0 109.365 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 645' ' ' LYS . . . . . 0.401 ' C ' ' HD3' ' A' ' 645' ' ' LYS . 0.1 OUTLIER -40.7 -51.26 3.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 1.0 109.332 179.942 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 646' ' ' GLU . . . . . 0.635 ' CB ' HD23 ' A' ' 583' ' ' LEU . 5.5 mt-10 -75.54 -33.49 60.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 1.0 110.21 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 647' ' ' LEU . . . . . 0.673 ' CD2' HD11 ' A' ' 583' ' ' LEU . 2.5 mt -65.99 -64.18 0.92 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.441 1.088 . . . . 1.0 109.263 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 648' ' ' ARG . . . . . 0.527 ' N ' ' O ' ' A' ' 644' ' ' LYS . 6.1 ttt180 -43.6 -47.81 7.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 1.0 110.285 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 649' ' ' ASP . . . . . 0.542 ' O ' ' N ' ' A' ' 653' ' ' GLU . 12.4 t70 -65.08 -48.72 72.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.614 1.196 . . . . 1.0 109.242 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 650' ' ' ALA . . . . . 0.703 ' HB1' ' SD ' ' A' ' 603' ' ' MET . . . -46.97 -40.84 15.18 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.499 1.124 . . . . 1.0 109.257 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 651' ' ' TYR . . . . . 1.271 ' CD2' HG21 ' A' ' 606' ' ' ILE . 12.5 m-30 -80.17 -42.6 23.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 1.0 111.02 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 652' ' ' ARG . . . . . 0.503 ' CD ' ' HA ' ' A' ' 649' ' ' ASP . 0.1 OUTLIER -67.53 -37.43 82.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.086 . . . . 1.0 110.325 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 653' ' ' GLU . . . . . 0.542 ' N ' ' O ' ' A' ' 649' ' ' ASP . 1.1 tt0 -68.39 -38.19 81.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 1.0 110.332 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 654' ' ' ALA . . . . . 0.659 ' HB1' ' HB3' ' A' ' 604' ' ' GLU . . . -77.09 -54.24 6.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 1.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 655' ' ' GLN . . . . . 0.514 ' HA ' HG12 ' A' ' 658' ' ' VAL . 10.9 pt20 -49.04 -45.4 42.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 1.0 110.317 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 656' ' ' GLN . . . . . 0.469 ' N ' ' CG ' ' A' ' 655' ' ' GLN . 2.3 tp60 -54.04 -19.96 5.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 1.0 110.333 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 657' ' ' LEU . . . . . 0.494 ' HG ' ' O ' ' A' ' 653' ' ' GLU . 5.0 mt -85.35 -32.22 22.55 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.443 1.09 . . . . 1.0 109.333 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 658' ' ' VAL . . . . . 0.514 HG12 ' HA ' ' A' ' 655' ' ' GLN . 1.5 p -105.4 15.04 7.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.633 1.208 . . . . 1.0 109.265 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 659' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 655' ' ' GLN . 2.1 mt-30 -75.39 -39.92 58.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.103 . . . . 1.0 110.293 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 660' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.77 4.24 17.0 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.471 1.107 . . . . 1.0 110.359 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 661' ' ' VAL . . . . . . . . . . . . . 8.1 t 62.37 130.11 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 1.0 109.317 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 662' ' ' PRO . . . . . 0.402 ' HG2' ' CB ' ' A' ' 665' ' ' LYS . 18.4 Cg_endo -74.97 -177.95 3.82 Favored 'Trans proline' 0 C--N 1.358 1.064 0 O-C-N 124.516 1.798 . . . . 1.0 110.989 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.75 -62.17 1.74 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 1.0 109.33 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 664' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.05 113.83 16.3 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.525 1.14 . . . . 1.0 110.931 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 665' ' ' LYS . . . . . 0.402 ' CB ' ' HG2' ' A' ' 662' ' ' PRO . 0.5 OUTLIER -177.59 168.81 2.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 1.0 109.31 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 666' ' ' ASN . . . . . . . . . . . . . 3.0 t30 174.33 -54.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 1.0 109.347 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 4.5 ttmt 60.96 88.75 0.12 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.564 1.165 . . . . 1.0 109.291 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 668' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 58.66 5.01 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.529 1.805 . . . . 1.0 111.042 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 41.87 90.61 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 1.0 110.293 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 8.6 t . . . . . 0 C--O 1.249 1.078 0 CA-C-O 116.944 -1.503 . . . . 1.0 110.044 179.939 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.066 0 N-CA-C 111.002 -0.839 . . . . 1.0 111.002 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 553' ' ' SER . . . . . . . . . . . . . 7.9 m 64.4 121.9 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.57 0.806 . . . . 1.0 109.989 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 554' ' ' HIS . . . . . . . . . . . . . 46.9 t-80 -159.52 62.13 0.38 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.39 1.056 . . . . 1.0 109.556 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 555' ' ' MET . . . . . . . . . . . . . 5.2 ptp -143.82 169.8 17.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 1.0 111.003 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . -67.13 -151.48 0.2 Allowed Glycine 0 CA--C 1.532 1.127 0 O-C-N 124.431 1.082 . . . . 1.0 110.998 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 12.7 tttp -118.77 -106.49 0.38 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 0.792 . . . . 1.0 109.292 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 558' ' ' ASP . . . . . 0.753 ' O ' ' CE2' ' A' ' 584' ' ' PHE . 7.3 m-20 -153.08 22.45 0.57 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 1.0 109.31 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 559' ' ' CYS . . . . . . . . . . . . . 3.5 t -171.17 132.14 0.81 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.634 1.209 . . . . 1.0 108.294 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 560' ' ' ILE . . . . . 0.756 HD11 ' HA ' ' A' ' 585' ' ' PRO . 37.9 mt -95.53 -68.07 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 1.0 109.348 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 561' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -135.72 149.5 49.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 1.0 111.011 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 562' ' ' HIS . . . . . . . . . . . . . 5.8 p80 -140.61 165.36 27.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.417 1.073 . . . . 1.0 109.708 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 563' ' ' GLY . . . . . . . . . . . . . . . 148.33 -164.34 29.0 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.461 1.1 . . . . 1.0 110.996 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 564' ' ' TYR . . . . . 0.408 ' OH ' ' NE ' ' A' ' 578' ' ' ARG . 0.2 OUTLIER -96.32 126.78 41.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 0.75 . . . . 1.0 110.945 -179.942 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 565' ' ' MET . . . . . 0.54 ' HB2' ' HB2' ' A' ' 581' ' ' PHE . 0.0 OUTLIER -140.39 133.1 28.91 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.511 1.132 . . . . 1.0 111.022 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 566' ' ' SER . . . . . 0.655 ' OG ' ' O ' ' A' ' 633' ' ' GLN . 9.0 p -111.22 127.56 55.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.581 1.175 . . . . 1.0 109.975 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 567' ' ' LYS . . . . . 0.615 ' HD2' ' CD2' ' A' ' 630' ' ' PHE . 0.0 OUTLIER -134.62 145.48 48.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 1.0 109.254 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 568' ' ' MET . . . . . 0.517 ' N ' ' HG2' ' A' ' 567' ' ' LYS . 17.5 ptm -130.14 -173.7 3.12 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.538 1.149 . . . . 1.0 111.066 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 569' ' ' GLY . . . . . . . . . . . . . . . -69.9 -121.96 0.04 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.43 1.081 . . . . 1.0 110.994 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 570' ' ' ASN . . . . . 0.571 ' CB ' ' HD3' ' A' ' 571' ' ' PRO . 0.0 OUTLIER -169.58 -56.15 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.483 0.755 . . . . 1.0 109.367 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 571' ' ' PRO . . . . . 0.571 ' HD3' ' CB ' ' A' ' 570' ' ' ASN . 18.2 Cg_endo -75.04 8.05 2.61 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.509 1.794 . . . . 1.0 110.98 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 572' ' ' PHE . . . . . 0.516 ' CE2' ' HG2' ' A' ' 571' ' ' PRO . 12.7 m-85 -139.3 81.41 1.83 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 1.0 111.009 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 573' ' ' LEU . . . . . 0.67 HD11 ' HZ1' ' A' ' 618' ' ' LYS . 0.5 OUTLIER -90.49 86.33 6.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 1.0 109.333 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 574' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -160.32 -43.05 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 1.0 110.34 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -119.24 107.28 13.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.565 1.166 . . . . 1.0 110.306 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 576' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -90.83 147.75 22.97 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.114 . . . . 1.0 107.997 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 577' ' ' GLN . . . . . 0.489 ' NE2' ' NE ' ' A' ' 579' ' ' ARG . 0.0 OUTLIER -110.06 132.04 54.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 1.0 110.29 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 578' ' ' ARG . . . . . 0.522 ' HA ' ' HB2' ' A' ' 566' ' ' SER . 0.0 OUTLIER -128.71 122.7 31.3 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.563 1.165 . . . . 1.0 110.294 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 579' ' ' ARG . . . . . 0.489 ' NE ' ' NE2' ' A' ' 577' ' ' GLN . 42.5 mtt180 -155.02 -178.17 7.05 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.506 1.129 . . . . 1.0 110.301 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 580' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -88.39 131.22 34.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.432 1.083 . . . . 1.0 111.035 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 581' ' ' PHE . . . . . 0.597 ' CE1' ' HB3' ' A' ' 590' ' ' TRP . 4.1 m-85 -117.69 165.99 12.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 1.0 111.052 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 582' ' ' TYR . . . . . 0.515 ' O ' ' HA ' ' A' ' 588' ' ' LEU . 4.4 m-85 -146.4 116.8 7.48 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.534 1.146 . . . . 1.0 110.982 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 583' ' ' LEU . . . . . 0.694 ' HB2' ' CZ3' ' A' ' 643' ' ' TRP . 5.7 tp -91.2 116.01 28.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 1.0 109.38 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 584' ' ' PHE . . . . . 0.753 ' CE2' ' O ' ' A' ' 558' ' ' ASP . 0.6 OUTLIER -108.65 174.19 2.58 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 1.0 110.966 -179.92 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 585' ' ' PRO . . . . . 0.756 ' HA ' HD11 ' A' ' 560' ' ' ILE . 18.1 Cg_endo -75.02 -1.43 11.22 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.521 1.801 . . . . 1.0 110.99 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 586' ' ' ASN . . . . . 0.816 ' O ' HG22 ' A' ' 602' ' ' THR . 3.2 m120 -165.81 -40.49 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 1.0 109.24 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 587' ' ' ARG . . . . . 0.541 ' HA ' ' HA ' ' A' ' 602' ' ' THR . 2.5 mtp180 -90.08 -167.73 1.92 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 1.0 110.283 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 588' ' ' LEU . . . . . 0.515 ' HA ' ' O ' ' A' ' 582' ' ' TYR . 0.1 OUTLIER 176.2 113.02 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.417 1.073 . . . . 1.0 109.385 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 589' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -93.69 145.09 24.82 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 124.502 1.126 . . . . 1.0 110.297 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 590' ' ' TRP . . . . . 0.597 ' HB3' ' CE1' ' A' ' 581' ' ' PHE . 2.9 p-90 -142.0 80.86 1.73 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 1.0 108.0 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -117.72 -171.37 2.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 1.0 110.303 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . -179.21 144.89 6.37 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.513 1.133 . . . . 1.0 110.959 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.66 168.71 8.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 0.74 . . . . 1.0 110.281 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . 46.42 64.59 2.5 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.533 1.146 . . . . 1.0 111.066 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 595' ' ' GLU . . . . . 0.427 ' OE2' ' NH2' ' A' ' 579' ' ' ARG . 2.2 tt0 179.82 -176.12 0.31 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 0.786 . . . . 1.0 110.29 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 596' ' ' ALA . . . . . 0.492 ' HB1' ' HD2' ' A' ' 597' ' ' PRO . . . -79.45 163.93 56.63 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 1.0 109.274 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 597' ' ' PRO . . . . . 0.492 ' HD2' ' HB1' ' A' ' 596' ' ' ALA . 18.5 Cg_endo -75.0 119.98 5.88 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.468 1.773 . . . . 1.0 111.011 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 598' ' ' GLN . . . . . . . . . . . . . 23.5 mp0 -89.92 -172.27 3.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.437 1.086 . . . . 1.0 110.258 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 599' ' ' SER . . . . . 0.495 ' O ' ' CD1' ' A' ' 590' ' ' TRP . 0.2 OUTLIER -123.12 -170.65 2.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.599 1.187 . . . . 1.0 109.96 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -140.58 110.16 6.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.125 . . . . 1.0 109.3 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -80.21 -166.75 1.11 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.153 . . . . 1.0 109.369 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 602' ' ' THR . . . . . 0.816 HG22 ' O ' ' A' ' 586' ' ' ASN . 0.1 OUTLIER -118.12 -160.43 0.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 1.0 110.414 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 603' ' ' MET . . . . . 0.727 ' CE ' ' HB2' ' A' ' 654' ' ' ALA . 0.1 OUTLIER -137.42 37.1 2.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.103 . . . . 1.0 111.058 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -125.26 57.46 1.31 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.435 1.084 . . . . 1.0 110.317 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 605' ' ' GLU . . . . . 0.522 ' O ' ' C ' ' A' ' 606' ' ' ILE . 3.9 pt-20 -158.77 -55.52 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 1.0 110.276 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 606' ' ' ILE . . . . . 1.219 HG21 ' CD2' ' A' ' 651' ' ' TYR . 0.9 OUTLIER -30.93 137.42 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 1.0 109.293 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 607' ' ' GLN . . . . . 0.523 ' HG2' ' CB ' ' A' ' 625' ' ' ARG . 0.0 OUTLIER -87.73 -39.49 14.91 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 1.0 110.27 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 1.5 m -174.81 135.32 0.38 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 1.0 110.03 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 609' ' ' VAL . . . . . 0.928 HG22 ' CD ' ' A' ' 644' ' ' LYS . 3.1 p -107.63 140.81 24.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.463 1.102 . . . . 1.0 109.23 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 610' ' ' GLU . . . . . 0.882 ' HG3' HD23 ' A' ' 621' ' ' LEU . 0.2 OUTLIER -158.51 -167.92 2.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 1.0 110.331 179.945 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 611' ' ' GLU . . . . . 0.65 ' HA ' ' HA ' ' A' ' 620' ' ' LEU . 27.4 tt0 -140.37 149.02 42.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.389 1.056 . . . . 1.0 110.333 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 612' ' ' THR . . . . . 0.817 HG23 ' HG3' ' A' ' 618' ' ' LYS . 0.0 OUTLIER -115.23 164.79 13.72 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.546 1.154 . . . . 1.0 110.397 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 11.1 mp0 -128.54 163.92 23.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 1.0 110.341 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 614' ' ' ILE . . . . . 0.778 HG22 ' O ' ' A' ' 614' ' ' ILE . 0.1 OUTLIER -148.16 83.19 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.414 1.071 . . . . 1.0 109.347 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 615' ' ' LYS . . . . . 0.436 ' HB3' ' O ' ' A' ' 614' ' ' ILE . 9.0 ttmt 81.39 -33.13 0.1 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.438 1.087 . . . . 1.0 109.252 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 616' ' ' GLU . . . . . 0.451 ' H ' ' C ' ' A' ' 614' ' ' ILE . 1.9 tt0 -156.77 -47.67 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 1.0 110.298 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 12.2 ttt-85 -156.49 137.69 13.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.581 1.175 . . . . 1.0 110.245 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 618' ' ' LYS . . . . . 0.817 ' HG3' HG23 ' A' ' 612' ' ' THR . 2.1 tptt -117.66 -98.05 0.46 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 1.0 109.264 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 619' ' ' CYS . . . . . 0.484 ' O ' ' CG ' ' A' ' 611' ' ' GLU . 25.5 m -157.35 -173.19 4.3 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.587 1.179 . . . . 1.0 108.316 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 620' ' ' LEU . . . . . 0.828 HD13 ' CG ' ' A' ' 640' ' ' LEU . 0.2 OUTLIER -102.9 138.15 40.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 1.0 109.362 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 621' ' ' LEU . . . . . 0.882 HD23 ' HG3' ' A' ' 610' ' ' GLU . 3.8 tp -91.46 161.04 15.14 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.536 1.147 . . . . 1.0 109.279 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 622' ' ' LEU . . . . . 0.849 HD21 ' HE2' ' A' ' 651' ' ' TYR . 0.6 OUTLIER -161.8 83.42 0.59 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 1.0 109.34 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 623' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.18 138.52 31.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.523 1.139 . . . . 1.0 109.313 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 624' ' ' ILE . . . . . 0.943 HG22 ' H ' ' A' ' 626' ' ' GLY . 62.8 mt -102.62 145.66 11.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 1.0 109.36 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 625' ' ' ARG . . . . . 0.523 ' CB ' ' HG2' ' A' ' 607' ' ' GLN . 0.1 OUTLIER -79.05 2.69 19.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.388 1.055 . . . . 1.0 110.327 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 626' ' ' GLY . . . . . 0.943 ' H ' HG22 ' A' ' 624' ' ' ILE . . . -91.67 -23.02 29.47 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.454 1.096 . . . . 1.0 111.057 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 117.86 47.49 0.44 Allowed Glycine 0 CA--C 1.531 1.032 0 N-CA-C 111.008 -0.837 . . . . 1.0 111.008 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 628' ' ' LYS . . . . . . . . . . . . . 3.8 mtmt -144.47 168.99 18.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 0.765 . . . . 1.0 109.254 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -142.64 130.83 22.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.592 1.183 . . . . 1.0 110.333 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 630' ' ' PHE . . . . . 0.615 ' CD2' ' HD2' ' A' ' 567' ' ' LYS . 1.5 m-85 -126.36 150.24 48.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.437 1.086 . . . . 1.0 111.004 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 631' ' ' ILE . . . . . 0.494 ' HA ' ' O ' ' A' ' 620' ' ' LEU . 0.1 OUTLIER -129.75 117.78 42.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 1.0 109.408 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 632' ' ' LEU . . . . . 0.809 HD11 HD12 ' A' ' 622' ' ' LEU . 1.1 mp -92.47 160.28 15.14 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.495 1.122 . . . . 1.0 109.335 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 633' ' ' GLN . . . . . 0.655 ' O ' ' OG ' ' A' ' 566' ' ' SER . 11.2 tp60 -158.03 125.05 4.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.438 1.087 . . . . 1.0 110.339 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 634' ' ' CYS . . . . . 0.628 ' SG ' HD23 ' A' ' 640' ' ' LEU . 15.5 p -130.55 153.26 49.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 1.0 108.405 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 635' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -80.93 -12.83 59.33 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.149 . . . . 1.0 109.241 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 636' ' ' SER . . . . . 0.517 ' CB ' ' HG3' ' A' ' 639' ' ' GLU . 0.5 OUTLIER -91.8 165.79 13.09 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.555 1.159 . . . . 1.0 109.978 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 637' ' ' ASP . . . . . 0.535 ' N ' ' CD ' ' A' ' 638' ' ' PRO . 0.2 OUTLIER -94.92 -51.06 0.25 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.565 1.166 . . . . 1.0 109.276 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 638' ' ' PRO . . . . . 0.57 ' O ' ' C ' ' A' ' 639' ' ' GLU . 18.4 Cg_endo -74.97 -45.51 0.28 Allowed 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.538 1.81 . . . . 1.0 110.917 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 639' ' ' GLU . . . . . 0.57 ' C ' ' O ' ' A' ' 638' ' ' PRO . 4.6 mt-10 -23.81 -73.04 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.587 1.179 . . . . 1.0 110.311 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 640' ' ' LEU . . . . . 0.828 ' CG ' HD13 ' A' ' 620' ' ' LEU . 0.2 OUTLIER -57.03 -52.2 66.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 1.0 109.262 -179.92 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 641' ' ' VAL . . . . . 0.537 HG12 ' N ' ' A' ' 642' ' ' GLN . 0.5 OUTLIER -40.69 -53.76 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.562 1.164 . . . . 1.0 109.324 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 642' ' ' GLN . . . . . 0.537 ' N ' HG12 ' A' ' 641' ' ' VAL . 2.3 mp0 -69.9 -41.87 74.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 1.0 110.305 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 643' ' ' TRP . . . . . 0.73 ' O ' HD12 ' A' ' 647' ' ' LEU . 16.2 m95 -55.46 -41.12 72.48 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.492 1.12 . . . . 1.0 108.038 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 644' ' ' LYS . . . . . 0.928 ' CD ' HG22 ' A' ' 609' ' ' VAL . 0.0 OUTLIER -65.14 -57.56 8.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 1.0 109.367 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 8.4 tmtm? -42.03 -54.56 3.49 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.558 1.161 . . . . 1.0 109.337 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 646' ' ' GLU . . . . . 0.474 ' HB3' HD23 ' A' ' 583' ' ' LEU . 1.5 mp0 -70.23 -26.33 63.81 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 1.0 110.3 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 647' ' ' LEU . . . . . 0.73 HD12 ' O ' ' A' ' 643' ' ' TRP . 0.4 OUTLIER -72.96 -62.59 1.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 1.0 109.275 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 648' ' ' ARG . . . . . 0.524 ' O ' ' CG ' ' A' ' 652' ' ' ARG . 0.9 OUTLIER -40.0 -52.49 2.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.625 1.203 . . . . 1.0 110.337 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 649' ' ' ASP . . . . . 0.455 ' O ' ' N ' ' A' ' 653' ' ' GLU . 27.2 t70 -58.06 -47.44 83.16 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 1.0 109.3 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 650' ' ' ALA . . . . . 0.499 ' HB1' ' SD ' ' A' ' 603' ' ' MET . . . -48.98 -57.27 6.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.566 1.166 . . . . 1.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 651' ' ' TYR . . . . . 1.219 ' CD2' HG21 ' A' ' 606' ' ' ILE . 13.9 m-30 -67.16 -27.07 66.99 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.466 1.104 . . . . 1.0 110.975 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 652' ' ' ARG . . . . . 0.581 ' O ' ' N ' ' A' ' 655' ' ' GLN . 10.1 mmm180 -74.47 -67.96 0.58 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.423 1.077 . . . . 1.0 110.358 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 653' ' ' GLU . . . . . 0.629 ' O ' HD13 ' A' ' 657' ' ' LEU . 13.3 mt-10 -44.29 -30.44 0.81 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 1.0 110.347 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 654' ' ' ALA . . . . . 0.727 ' HB2' ' CE ' ' A' ' 603' ' ' MET . . . -74.88 -34.49 62.23 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 1.0 109.37 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 655' ' ' GLN . . . . . 0.581 ' N ' ' O ' ' A' ' 652' ' ' ARG . 3.5 pt20 -48.28 -46.16 35.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 1.0 110.35 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 656' ' ' GLN . . . . . 0.492 ' N ' ' CG ' ' A' ' 655' ' ' GLN . 4.5 pt20 -74.01 -12.81 60.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 1.0 110.359 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 657' ' ' LEU . . . . . 0.678 HD22 ' HA ' ' A' ' 654' ' ' ALA . 0.5 OUTLIER -85.53 -28.93 24.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 1.0 109.301 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 658' ' ' VAL . . . . . 0.476 HG22 HG21 ' A' ' 661' ' ' VAL . 0.9 OUTLIER -114.15 11.32 8.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.395 1.059 . . . . 1.0 109.316 -179.943 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 659' ' ' GLN . . . . . 0.405 ' O ' ' N ' ' A' ' 661' ' ' VAL . 0.0 OUTLIER -61.0 -59.34 5.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 1.0 110.219 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 660' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.95 66.73 0.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.406 1.066 . . . . 1.0 110.264 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 661' ' ' VAL . . . . . 0.597 ' O ' HG12 ' A' ' 661' ' ' VAL . 74.8 t -137.75 63.38 39.1 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 1.0 109.282 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 662' ' ' PRO . . . . . 0.441 ' HD3' ' N ' ' A' ' 661' ' ' VAL . 18.0 Cg_endo -75.03 169.9 21.61 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.473 1.775 . . . . 1.0 111.026 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 15.9 ttpp -98.18 -62.45 1.24 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.499 1.124 . . . . 1.0 109.332 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 664' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -169.13 56.35 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 1.0 110.939 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 665' ' ' LYS . . . . . 0.421 ' O ' ' CB ' ' A' ' 666' ' ' ASN . 0.8 OUTLIER -138.55 -62.49 0.56 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.427 1.079 . . . . 1.0 109.25 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 666' ' ' ASN . . . . . 0.421 ' CB ' ' O ' ' A' ' 665' ' ' LYS . 0.5 OUTLIER 75.89 -57.94 0.56 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.438 1.086 . . . . 1.0 109.287 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.9 119.79 36.63 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.44 1.088 . . . . 1.0 109.347 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 668' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 -36.92 2.29 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.488 1.783 . . . . 1.0 111.008 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 9.0 ttp180 177.97 144.83 0.11 Allowed 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.471 1.107 . . . . 1.0 110.328 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.122 0 CA-C-O 117.029 -1.463 . . . . 1.0 110.032 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.935 0 N-CA-C 111.037 -0.825 . . . . 1.0 111.037 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 553' ' ' SER . . . . . . . . . . . . . 1.6 m -179.78 78.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.408 0.71 . . . . 1.0 110.023 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 554' ' ' HIS . . . . . . . . . . . . . 8.5 m170 65.49 117.25 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.505 1.128 . . . . 1.0 109.603 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 555' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -159.0 170.31 22.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 1.0 111.046 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . 125.97 -171.48 17.79 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.555 1.159 . . . . 1.0 110.98 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 60.1 tttt -130.2 -106.59 0.28 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 0.745 . . . . 1.0 109.226 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 558' ' ' ASP . . . . . 0.86 ' O ' ' CE2' ' A' ' 584' ' ' PHE . 2.6 m-20 -154.91 24.8 0.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 1.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 559' ' ' CYS . . . . . . . . . . . . . 5.4 t -170.94 138.06 1.27 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.131 . . . . 1.0 108.271 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 560' ' ' ILE . . . . . 0.898 HD11 ' HA ' ' A' ' 585' ' ' PRO . 40.9 mt -99.63 -66.05 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.477 1.11 . . . . 1.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 561' ' ' MET . . . . . 0.419 ' SD ' ' OE2' ' A' ' 646' ' ' GLU . 0.0 OUTLIER -138.13 131.51 30.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 1.0 110.956 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 562' ' ' HIS . . . . . . . . . . . . . 6.3 p80 -127.57 161.16 29.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 1.0 109.602 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 563' ' ' GLY . . . . . . . . . . . . . . . 153.75 -163.11 30.71 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.487 1.117 . . . . 1.0 111.047 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 564' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -94.31 125.65 39.08 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.5 0.765 . . . . 1.0 110.948 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 565' ' ' MET . . . . . 0.718 ' SD ' HD22 ' A' ' 640' ' ' LEU . 0.2 OUTLIER -139.57 145.74 38.99 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.485 1.116 . . . . 1.0 111.058 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 566' ' ' SER . . . . . 0.559 ' OG ' ' HG3' ' A' ' 633' ' ' GLN . 0.6 OUTLIER -113.87 145.68 41.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 1.0 110.064 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 567' ' ' LYS . . . . . 0.783 ' HE3' HD22 ' A' ' 632' ' ' LEU . 0.1 OUTLIER -140.68 165.97 26.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 1.0 109.297 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 568' ' ' MET . . . . . 0.459 ' N ' ' CG ' ' A' ' 567' ' ' LYS . 0.0 OUTLIER 178.54 177.57 0.45 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.442 1.089 . . . . 1.0 110.995 179.924 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 569' ' ' GLY . . . . . . . . . . . . . . . 157.87 120.27 0.61 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.555 1.159 . . . . 1.0 111.009 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 570' ' ' ASN . . . . . 0.545 ' CB ' ' CD ' ' A' ' 571' ' ' PRO . 1.2 m-20 -169.41 -179.93 0.73 Allowed Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.495 0.762 . . . . 1.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 571' ' ' PRO . . . . . 0.545 ' CD ' ' CB ' ' A' ' 570' ' ' ASN . 18.6 Cg_endo -75.02 2.38 6.71 Favored 'Trans proline' 0 C--N 1.362 1.262 0 O-C-N 124.436 1.756 . . . . 1.0 110.99 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 572' ' ' PHE . . . . . 0.538 ' CE2' ' HG2' ' A' ' 571' ' ' PRO . 9.1 m-85 -150.42 80.44 1.35 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 1.0 110.982 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 573' ' ' LEU . . . . . 0.479 ' HA ' HD12 ' A' ' 573' ' ' LEU . 2.1 tp -81.26 88.13 6.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 1.0 109.37 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 574' ' ' THR . . . . . 0.425 ' O ' HG23 ' A' ' 574' ' ' THR . 0.7 OUTLIER -135.86 8.84 3.29 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.445 1.091 . . . . 1.0 110.451 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 575' ' ' GLN . . . . . 0.607 ' O ' ' CD1' ' A' ' 576' ' ' TRP . 26.0 pt20 -120.66 -177.75 3.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 1.0 110.365 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 576' ' ' TRP . . . . . 0.607 ' CD1' ' O ' ' A' ' 575' ' ' GLN . 15.9 m0 -156.17 120.32 4.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.425 1.078 . . . . 1.0 108.105 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 577' ' ' GLN . . . . . 0.402 ' HB2' ' SD ' ' A' ' 568' ' ' MET . 0.9 OUTLIER -118.62 111.67 18.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.412 1.07 . . . . 1.0 110.344 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 578' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.2 116.28 28.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 1.0 110.275 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 579' ' ' ARG . . . . . 0.573 ' O ' ' O ' ' A' ' 565' ' ' MET . 44.5 mtp180 -130.45 165.65 22.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 1.0 110.329 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 580' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -88.29 127.61 35.47 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 1.0 110.991 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 581' ' ' PHE . . . . . 0.569 ' CE2' ' CB ' ' A' ' 590' ' ' TRP . 55.2 m-85 -124.54 169.91 11.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.154 . . . . 1.0 110.996 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 582' ' ' TYR . . . . . 0.551 ' CA ' ' HH2' ' A' ' 643' ' ' TRP . 32.4 m-85 -146.91 121.99 10.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 1.0 110.984 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 583' ' ' LEU . . . . . 0.818 ' HB2' ' CZ3' ' A' ' 643' ' ' TRP . 8.1 tp -90.5 112.71 24.47 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.501 1.126 . . . . 1.0 109.318 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 584' ' ' PHE . . . . . 0.86 ' CE2' ' O ' ' A' ' 558' ' ' ASP . 0.6 OUTLIER -104.55 170.51 5.97 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 1.0 111.025 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 585' ' ' PRO . . . . . 0.898 ' HA ' HD11 ' A' ' 560' ' ' ILE . 18.3 Cg_endo -75.0 7.34 2.91 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.474 1.776 . . . . 1.0 111.042 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 586' ' ' ASN . . . . . 0.716 ' HA ' ' CG ' ' A' ' 603' ' ' MET . 14.3 m120 -170.65 -44.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 1.0 109.292 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 587' ' ' ARG . . . . . 0.584 ' HA ' ' HA ' ' A' ' 602' ' ' THR . 3.5 mtp85 -88.53 -170.99 3.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.55 1.157 . . . . 1.0 110.374 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 588' ' ' LEU . . . . . 0.508 HD12 ' C ' ' A' ' 588' ' ' LEU . 0.1 OUTLIER -178.33 112.81 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 1.0 109.3 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 589' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -87.75 139.98 29.98 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 1.0 110.307 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 590' ' ' TRP . . . . . 0.569 ' CB ' ' CE2' ' A' ' 581' ' ' PHE . 1.3 p-90 -143.23 78.3 1.6 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.995 -1.113 . . . . 1.0 107.995 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 591' ' ' ARG . . . . . 0.419 ' HD3' ' OG ' ' A' ' 599' ' ' SER . 0.0 OUTLIER -115.85 175.74 5.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.584 1.178 . . . . 1.0 110.212 -179.911 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . 167.59 -151.17 18.39 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.571 1.169 . . . . 1.0 110.961 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 593' ' ' GLU . . . . . 0.455 ' N ' ' OE1' ' A' ' 593' ' ' GLU . 0.0 OUTLIER -92.92 165.75 12.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 0.737 . . . . 1.0 110.225 -179.917 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . 40.39 70.93 0.33 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.514 1.134 . . . . 1.0 111.006 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 595' ' ' GLU . . . . . 0.411 ' HB3' ' NH2' ' A' ' 579' ' ' ARG . 19.0 tp10 -178.1 163.7 1.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 0.794 . . . . 1.0 110.304 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . -79.85 157.26 74.3 Favored Pre-proline 0 C--N 1.323 -0.565 0 O-C-N 124.546 1.153 . . . . 1.0 109.287 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 597' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -14.19 21.28 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.504 1.792 . . . . 1.0 111.016 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 598' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -86.12 89.12 7.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 1.0 110.314 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 599' ' ' SER . . . . . 0.472 ' HB2' ' CD2' ' A' ' 590' ' ' TRP . 17.9 p -155.2 76.46 0.98 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 1.0 109.952 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -140.29 121.0 14.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 1.0 109.33 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -125.51 -175.19 3.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 1.0 109.327 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 602' ' ' THR . . . . . 0.605 HG22 ' O ' ' A' ' 586' ' ' ASN . 0.0 OUTLIER -120.58 -165.18 1.17 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 1.0 110.363 -179.945 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 603' ' ' MET . . . . . 0.791 ' SD ' ' HB1' ' A' ' 650' ' ' ALA . 0.8 OUTLIER -127.38 38.52 4.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 1.0 111.036 -179.941 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -125.95 58.53 1.34 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.534 1.146 . . . . 1.0 110.331 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 605' ' ' GLU . . . . . 0.553 ' HG3' HD12 ' A' ' 606' ' ' ILE . 3.2 pt-20 -159.0 -57.7 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 1.0 110.309 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 606' ' ' ILE . . . . . 1.22 HG21 ' CD2' ' A' ' 651' ' ' TYR . 1.3 mp -34.94 140.44 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 1.0 109.35 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 607' ' ' GLN . . . . . 0.54 ' HG2' ' CB ' ' A' ' 625' ' ' ARG . 0.0 OUTLIER -91.87 -36.12 13.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 1.0 110.259 -179.929 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 608' ' ' SER . . . . . 0.401 ' HB2' ' HD3' ' A' ' 623' ' ' LYS . 2.2 m -174.0 132.53 0.42 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.576 1.172 . . . . 1.0 109.995 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 609' ' ' VAL . . . . . 1.1 HG22 ' CD ' ' A' ' 644' ' ' LYS . 1.7 p -106.03 128.98 59.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 1.0 109.343 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 610' ' ' GLU . . . . . 0.851 ' CD ' HD23 ' A' ' 621' ' ' LEU . 0.2 OUTLIER -146.87 -168.83 3.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 1.0 110.23 -179.917 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 611' ' ' GLU . . . . . 0.589 ' HA ' ' HA ' ' A' ' 620' ' ' LEU . 23.3 tt0 -140.45 146.91 38.86 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.57 1.169 . . . . 1.0 110.305 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 612' ' ' THR . . . . . 0.879 HG23 ' HG3' ' A' ' 618' ' ' LYS . 0.1 OUTLIER -112.15 164.18 13.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 1.0 110.413 -179.932 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -129.52 162.21 28.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 1.0 110.29 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 614' ' ' ILE . . . . . 0.795 HG22 ' O ' ' A' ' 614' ' ' ILE . 0.1 OUTLIER -145.74 84.12 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 1.0 109.331 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 615' ' ' LYS . . . . . 0.406 ' CB ' ' O ' ' A' ' 614' ' ' ILE . 0.9 OUTLIER 82.33 -34.52 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 1.0 109.257 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 616' ' ' GLU . . . . . 0.424 ' H ' ' C ' ' A' ' 614' ' ' ILE . 0.8 OUTLIER -156.36 -47.07 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 1.0 110.39 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -155.99 136.69 13.37 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.389 1.055 . . . . 1.0 110.29 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 618' ' ' LYS . . . . . 0.879 ' HG3' HG23 ' A' ' 612' ' ' THR . 0.4 OUTLIER -117.1 -98.27 0.45 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 1.0 109.35 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 619' ' ' CYS . . . . . 0.457 ' O ' ' CG ' ' A' ' 611' ' ' GLU . 57.2 m -156.35 -173.86 4.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 1.0 108.278 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 620' ' ' LEU . . . . . 1.099 HD13 HD12 ' A' ' 640' ' ' LEU . 0.2 OUTLIER -102.51 145.55 29.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 1.0 109.301 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 621' ' ' LEU . . . . . 0.851 HD23 ' CD ' ' A' ' 610' ' ' GLU . 1.7 tp -105.42 162.89 13.06 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.489 1.118 . . . . 1.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 622' ' ' LEU . . . . . 1.098 HD13 HD21 ' A' ' 632' ' ' LEU . 0.2 OUTLIER -163.58 78.48 0.42 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.543 1.152 . . . . 1.0 109.346 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 623' ' ' LYS . . . . . 0.401 ' HD3' ' HB2' ' A' ' 608' ' ' SER . 0.0 OUTLIER -78.25 140.17 38.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.56 1.162 . . . . 1.0 109.253 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 624' ' ' ILE . . . . . 0.954 HG22 ' H ' ' A' ' 626' ' ' GLY . 82.4 mt -102.26 145.85 11.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.13 . . . . 1.0 109.315 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 625' ' ' ARG . . . . . 0.54 ' CB ' ' HG2' ' A' ' 607' ' ' GLN . 5.4 ptm180 -77.61 2.92 15.08 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.43 1.081 . . . . 1.0 110.292 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 626' ' ' GLY . . . . . 0.954 ' H ' HG22 ' A' ' 624' ' ' ILE . . . -90.22 -18.55 49.39 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.58 1.175 . . . . 1.0 111.003 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 113.12 32.97 2.06 Favored Glycine 0 CA--C 1.53 0.972 0 N-CA-C 111.079 -0.808 . . . . 1.0 111.079 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 628' ' ' LYS . . . . . 0.489 ' HB2' HD12 ' A' ' 624' ' ' ILE . 3.8 mmtt -130.51 176.01 8.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 0.76 . . . . 1.0 109.341 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -146.32 151.25 37.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 1.0 110.332 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 630' ' ' PHE . . . . . 0.497 ' CE1' ' HD3' ' A' ' 567' ' ' LYS . 0.5 OUTLIER -140.22 147.91 40.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.573 1.171 . . . . 1.0 111.052 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 631' ' ' ILE . . . . . 0.576 HG22 ' O ' ' A' ' 631' ' ' ILE . 0.0 OUTLIER -136.22 106.15 5.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.519 1.137 . . . . 1.0 109.337 179.939 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 632' ' ' LEU . . . . . 1.098 HD21 HD13 ' A' ' 622' ' ' LEU . 0.2 OUTLIER -116.66 161.8 18.64 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.531 1.144 . . . . 1.0 109.219 -179.905 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 633' ' ' GLN . . . . . 0.559 ' HG3' ' OG ' ' A' ' 566' ' ' SER . 1.7 pp0? -144.34 175.78 9.84 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.462 1.101 . . . . 1.0 110.334 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 634' ' ' CYS . . . . . 0.72 ' HB2' HD23 ' A' ' 640' ' ' LEU . 0.8 OUTLIER -155.97 157.76 36.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 1.0 108.27 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 635' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -82.29 -22.18 35.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 1.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 636' ' ' SER . . . . . 0.459 ' CB ' ' HB2' ' A' ' 639' ' ' GLU . 0.5 OUTLIER -89.81 154.38 19.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 1.0 109.942 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 637' ' ' ASP . . . . . 0.59 ' N ' ' CD ' ' A' ' 638' ' ' PRO . 0.2 OUTLIER -84.64 -47.6 0.66 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.158 . . . . 1.0 109.301 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 638' ' ' PRO . . . . . 0.59 ' CD ' ' N ' ' A' ' 637' ' ' ASP . 18.1 Cg_endo -74.99 -51.75 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.544 1.813 . . . . 1.0 110.89 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 639' ' ' GLU . . . . . 0.558 ' C ' ' O ' ' A' ' 638' ' ' PRO . 13.0 mm-40 -24.23 -81.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.089 . . . . 1.0 110.273 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 640' ' ' LEU . . . . . 1.099 HD12 HD13 ' A' ' 620' ' ' LEU . 0.1 OUTLIER -51.0 -47.07 61.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.105 . . . . 1.0 109.276 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 641' ' ' VAL . . . . . 0.597 HG12 ' N ' ' A' ' 642' ' ' GLN . 0.7 OUTLIER -45.04 -56.64 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.551 1.157 . . . . 1.0 109.353 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 642' ' ' GLN . . . . . 0.597 ' N ' HG12 ' A' ' 641' ' ' VAL . 0.6 OUTLIER -64.94 -38.4 90.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 1.0 110.336 179.894 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 643' ' ' TRP . . . . . 0.84 ' O ' HD12 ' A' ' 647' ' ' LEU . 28.6 m95 -58.01 -40.06 79.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.133 . . . . 1.0 108.03 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 644' ' ' LYS . . . . . 1.1 ' CD ' HG22 ' A' ' 609' ' ' VAL . 0.0 OUTLIER -65.44 -58.95 4.6 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.48 1.112 . . . . 1.0 109.327 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 10.8 tmtt? -41.26 -50.57 3.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 1.0 109.227 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 646' ' ' GLU . . . . . 0.688 ' CB ' HD23 ' A' ' 583' ' ' LEU . 0.3 OUTLIER -71.31 -32.86 69.12 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.474 1.109 . . . . 1.0 110.33 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 647' ' ' LEU . . . . . 0.84 HD12 ' O ' ' A' ' 643' ' ' TRP . 1.0 OUTLIER -67.76 -61.22 1.98 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 1.0 109.311 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 648' ' ' ARG . . . . . 0.455 ' N ' ' O ' ' A' ' 644' ' ' LYS . 0.1 OUTLIER -41.56 -54.98 3.03 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.515 1.134 . . . . 1.0 110.27 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 649' ' ' ASP . . . . . 0.443 ' HA ' ' HB2' ' A' ' 652' ' ' ARG . 29.0 t0 -60.6 -47.6 85.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 1.0 109.304 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 650' ' ' ALA . . . . . 0.791 ' HB1' ' SD ' ' A' ' 603' ' ' MET . . . -47.34 -55.02 9.61 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.566 1.166 . . . . 1.0 109.329 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 651' ' ' TYR . . . . . 1.22 ' CD2' HG21 ' A' ' 606' ' ' ILE . 22.2 m-30 -68.03 -28.53 67.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 1.0 110.965 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 652' ' ' ARG . . . . . 0.534 ' O ' ' N ' ' A' ' 655' ' ' GLN . 41.1 mtp180 -73.46 -68.77 0.47 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 1.0 110.244 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 653' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 649' ' ' ASP . 7.5 mt-10 -43.86 -29.81 0.6 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 1.0 110.308 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 654' ' ' ALA . . . . . 0.713 ' O ' ' N ' ' A' ' 657' ' ' LEU . . . -71.81 -38.25 70.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.434 1.083 . . . . 1.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 655' ' ' GLN . . . . . 0.534 ' N ' ' O ' ' A' ' 652' ' ' ARG . 3.9 pt20 -41.47 -38.2 1.23 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.406 1.066 . . . . 1.0 110.339 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 656' ' ' GLN . . . . . 0.564 ' HG2' ' CD1' ' A' ' 657' ' ' LEU . 4.4 pt20 -66.24 -7.54 19.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 1.0 110.288 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 657' ' ' LEU . . . . . 0.713 ' N ' ' O ' ' A' ' 654' ' ' ALA . 2.3 mp -86.48 -29.46 22.75 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 1.0 109.335 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 658' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -118.08 13.12 7.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 1.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 659' ' ' GLN . . . . . 0.429 ' HB2' ' HA ' ' A' ' 656' ' ' GLN . 0.0 OUTLIER -59.53 -49.22 78.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 1.0 110.314 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 660' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.74 72.73 2.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.557 1.161 . . . . 1.0 110.273 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 661' ' ' VAL . . . . . 0.418 HG22 ' O ' ' A' ' 659' ' ' GLN . 0.0 OUTLIER -98.8 158.11 32.99 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 1.0 109.245 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 662' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 179.23 6.29 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.529 1.805 . . . . 1.0 110.973 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.15 135.46 43.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 1.0 109.256 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 664' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 40.7 90.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 1.0 111.034 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -175.59 -63.36 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 1.0 109.227 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 666' ' ' ASN . . . . . . . . . . . . . 19.0 m-20 72.91 -59.78 0.56 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 1.0 109.292 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 4.1 pttt -174.87 156.8 2.11 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 1.0 109.394 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 668' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -42.16 0.55 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.524 1.802 . . . . 1.0 110.959 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 178.49 156.22 0.43 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 1.0 110.253 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 19.2 p . . . . . 0 C--O 1.25 1.088 0 CA-C-O 116.985 -1.483 . . . . 1.0 110.007 179.969 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.044 0 N-CA-C 111.036 -0.826 . . . . 1.0 111.036 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 553' ' ' SER . . . . . . . . . . . . . 9.9 p -177.48 157.41 1.28 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.491 0.759 . . . . 1.0 110.046 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 554' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -176.48 137.44 0.28 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.596 1.185 . . . . 1.0 109.645 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 555' ' ' MET . . . . . 0.492 ' CE ' ' HD2' ' A' ' 587' ' ' ARG . 0.3 OUTLIER -155.75 47.13 0.49 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.6 1.188 . . . . 1.0 111.077 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . 53.06 171.78 0.03 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.514 1.134 . . . . 1.0 111.016 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.74 69.49 0.92 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 0.772 . . . . 1.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 558' ' ' ASP . . . . . 0.468 ' O ' ' HG3' ' A' ' 585' ' ' PRO . 0.7 OUTLIER -155.26 110.91 3.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.555 1.159 . . . . 1.0 109.265 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 559' ' ' CYS . . . . . . . . . . . . . 19.9 t -68.82 145.47 53.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 1.0 108.281 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 560' ' ' ILE . . . . . 0.814 HD11 ' HA ' ' A' ' 585' ' ' PRO . 29.6 mt -85.18 -62.53 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.522 1.139 . . . . 1.0 109.326 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 561' ' ' MET . . . . . 0.465 ' SD ' ' OE2' ' A' ' 646' ' ' GLU . 0.0 OUTLIER -131.0 135.73 47.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.616 1.197 . . . . 1.0 111.044 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 562' ' ' HIS . . . . . . . . . . . . . 2.0 p80 -135.98 173.77 11.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 1.0 109.575 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 563' ' ' GLY . . . . . 0.464 ' O ' ' CD1' ' A' ' 580' ' ' TYR . . . 135.93 -172.91 22.11 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.526 1.142 . . . . 1.0 111.013 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 564' ' ' TYR . . . . . 0.454 ' CE1' ' HD3' ' A' ' 578' ' ' ARG . 0.6 OUTLIER -90.09 125.32 35.38 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.507 0.769 . . . . 1.0 110.95 -179.92 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 565' ' ' MET . . . . . 0.602 ' SD ' HD22 ' A' ' 640' ' ' LEU . 0.0 OUTLIER -131.49 -163.13 1.29 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 1.0 110.939 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 566' ' ' SER . . . . . 0.439 ' OG ' ' HB3' ' A' ' 633' ' ' GLN . 0.6 OUTLIER -160.68 140.19 10.79 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.511 1.132 . . . . 1.0 109.998 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 567' ' ' LYS . . . . . 0.614 ' HD2' ' CD1' ' A' ' 630' ' ' PHE . 2.2 tmpt? -161.97 147.55 13.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.574 1.172 . . . . 1.0 109.279 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 568' ' ' MET . . . . . 0.451 ' N ' ' HG2' ' A' ' 567' ' ' LYS . 0.0 OUTLIER -157.95 178.21 10.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 1.0 111.001 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 569' ' ' GLY . . . . . . . . . . . . . . . -179.52 126.2 1.03 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.493 1.12 . . . . 1.0 110.964 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 570' ' ' ASN . . . . . 0.516 ' CB ' ' CD ' ' A' ' 571' ' ' PRO . 1.4 m-20 -169.7 179.16 0.82 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.481 0.754 . . . . 1.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 571' ' ' PRO . . . . . 0.53 ' O ' ' CD1' ' A' ' 572' ' ' PHE . 18.3 Cg_endo -74.9 2.27 6.76 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.482 1.78 . . . . 1.0 111.044 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 572' ' ' PHE . . . . . 0.53 ' CD1' ' O ' ' A' ' 571' ' ' PRO . 9.9 m-85 -148.48 83.57 1.48 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.386 1.054 . . . . 1.0 110.985 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 573' ' ' LEU . . . . . 0.506 HD21 HG21 ' A' ' 631' ' ' ILE . 1.8 tp -82.02 82.49 7.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 1.0 109.351 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 574' ' ' THR . . . . . 0.431 ' O ' HG23 ' A' ' 574' ' ' THR . 0.3 OUTLIER -132.15 1.2 3.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 1.0 110.373 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 575' ' ' GLN . . . . . 0.64 ' O ' ' CD1' ' A' ' 576' ' ' TRP . 26.3 pt20 -115.73 -178.08 3.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 1.0 110.257 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 576' ' ' TRP . . . . . 0.64 ' CD1' ' O ' ' A' ' 575' ' ' GLN . 17.6 m0 -156.03 124.99 6.05 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.0 -1.111 . . . . 1.0 108.0 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 577' ' ' GLN . . . . . 0.517 HE21 ' NE ' ' A' ' 579' ' ' ARG . 24.0 tt0 -120.67 121.75 38.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 1.0 110.273 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 578' ' ' ARG . . . . . 0.454 ' HD3' ' CE1' ' A' ' 564' ' ' TYR . 0.0 OUTLIER -88.26 118.08 27.62 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 1.0 110.324 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 579' ' ' ARG . . . . . 0.541 ' O ' ' O ' ' A' ' 565' ' ' MET . 1.5 mtt-85 -135.63 158.61 43.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 1.0 110.266 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 580' ' ' TYR . . . . . 0.464 ' CD1' ' O ' ' A' ' 563' ' ' GLY . 0.3 OUTLIER -87.08 129.71 34.8 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.521 1.138 . . . . 1.0 111.068 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 581' ' ' PHE . . . . . 0.678 ' CE1' ' CD1' ' A' ' 590' ' ' TRP . 1.7 m-85 -114.57 169.78 8.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.423 1.077 . . . . 1.0 111.101 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 582' ' ' TYR . . . . . 0.451 ' O ' ' HA ' ' A' ' 588' ' ' LEU . 8.7 m-85 -149.99 110.82 4.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 1.0 110.986 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 583' ' ' LEU . . . . . 0.823 ' HB2' ' CZ3' ' A' ' 643' ' ' TRP . 8.8 tp -88.78 111.23 21.77 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.633 1.208 . . . . 1.0 109.229 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 584' ' ' PHE . . . . . 0.504 ' CD2' ' HD2' ' A' ' 585' ' ' PRO . 0.4 OUTLIER -96.97 171.24 6.26 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 1.0 111.073 179.925 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 585' ' ' PRO . . . . . 0.814 ' HA ' HD11 ' A' ' 560' ' ' ILE . 18.0 Cg_endo -75.03 9.38 2.06 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.419 1.747 . . . . 1.0 111.04 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 586' ' ' ASN . . . . . 0.657 ' O ' ' CG ' ' A' ' 603' ' ' MET . 77.0 m-20 -169.14 -46.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 1.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 587' ' ' ARG . . . . . 0.657 ' HA ' ' HA ' ' A' ' 602' ' ' THR . 2.9 mtp180 -91.9 -171.07 2.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 1.0 110.323 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 588' ' ' LEU . . . . . 0.827 HD12 ' C ' ' A' ' 588' ' ' LEU . 0.0 OUTLIER 176.24 113.51 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.539 1.15 . . . . 1.0 109.339 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 589' ' ' GLU . . . . . 0.604 ' N ' HD12 ' A' ' 588' ' ' LEU . 3.3 pm0 -127.49 172.46 10.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 1.0 110.283 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 590' ' ' TRP . . . . . 0.678 ' CD1' ' CE1' ' A' ' 581' ' ' PHE . 0.1 OUTLIER -147.25 116.01 6.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 1.0 108.009 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -105.57 170.23 8.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 1.0 110.276 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . 133.87 -130.05 5.51 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.436 1.085 . . . . 1.0 111.059 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -48.81 172.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 0.787 . . . . 1.0 110.256 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . 111.99 -151.55 17.96 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.424 1.077 . . . . 1.0 111.062 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 595' ' ' GLU . . . . . 0.477 ' O ' ' HB2' ' A' ' 596' ' ' ALA . 0.1 OUTLIER -169.43 27.07 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.532 0.783 . . . . 1.0 110.354 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 596' ' ' ALA . . . . . 0.477 ' HB2' ' O ' ' A' ' 595' ' ' GLU . . . 176.7 155.19 0.42 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 1.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 597' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 101.64 1.49 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.392 1.733 . . . . 1.0 111.002 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 598' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -147.32 50.02 1.09 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.436 1.085 . . . . 1.0 110.313 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 599' ' ' SER . . . . . 0.566 ' OG ' ' CZ2' ' A' ' 590' ' ' TRP . 3.5 m -155.6 71.45 0.76 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 1.0 109.952 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 3.8 pp -139.87 140.21 36.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 1.0 109.312 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 601' ' ' LEU . . . . . 0.684 HD11 ' CD2' ' A' ' 588' ' ' LEU . 4.2 pp -160.83 -178.1 6.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.371 1.044 . . . . 1.0 109.278 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 602' ' ' THR . . . . . 0.657 ' HA ' ' HA ' ' A' ' 587' ' ' ARG . 0.2 OUTLIER -126.73 -151.45 0.48 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.494 1.121 . . . . 1.0 110.37 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 603' ' ' MET . . . . . 0.727 ' SD ' ' HB2' ' A' ' 654' ' ' ALA . 0.0 OUTLIER -133.16 28.72 4.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 1.0 110.991 -179.907 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -123.96 53.19 1.4 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.422 1.076 . . . . 1.0 110.343 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 605' ' ' GLU . . . . . 0.621 ' HB2' HG23 ' A' ' 624' ' ' ILE . 3.5 pt-20 -158.87 -54.18 0.06 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.659 1.225 . . . . 1.0 110.159 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 606' ' ' ILE . . . . . 1.231 HG21 ' CD2' ' A' ' 651' ' ' TYR . 1.2 mp -35.71 128.79 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.438 1.086 . . . . 1.0 109.241 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 607' ' ' GLN . . . . . 0.511 ' HG3' ' HA ' ' A' ' 625' ' ' ARG . 0.0 OUTLIER -84.39 -38.03 20.77 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 1.0 110.222 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 3.6 m -174.91 138.11 0.45 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 1.0 110.038 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 609' ' ' VAL . . . . . 0.793 HG22 ' CD ' ' A' ' 644' ' ' LYS . 5.2 p -103.96 136.71 35.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 1.0 109.246 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 610' ' ' GLU . . . . . 0.709 ' CG ' HD23 ' A' ' 621' ' ' LEU . 0.1 OUTLIER -158.86 157.46 31.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 1.0 110.266 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 611' ' ' GLU . . . . . 0.585 ' HA ' ' HA ' ' A' ' 620' ' ' LEU . 16.0 tt0 -111.34 144.73 40.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 1.0 110.296 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 612' ' ' THR . . . . . 0.69 HG23 ' HG3' ' A' ' 618' ' ' LYS . 0.0 OUTLIER -104.74 163.86 12.19 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.481 1.113 . . . . 1.0 110.467 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 58.7 mt-30 -129.44 163.68 25.32 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.577 1.173 . . . . 1.0 110.32 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 614' ' ' ILE . . . . . 0.785 HG22 ' O ' ' A' ' 614' ' ' ILE . 0.2 OUTLIER -147.86 83.86 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.376 1.048 . . . . 1.0 109.291 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 615' ' ' LYS . . . . . 0.414 ' CB ' ' O ' ' A' ' 614' ' ' ILE . 7.2 mmtm 82.26 -32.34 0.09 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.427 1.079 . . . . 1.0 109.306 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 616' ' ' GLU . . . . . 0.439 ' H ' ' C ' ' A' ' 614' ' ' ILE . 2.3 tt0 -156.56 -49.64 0.07 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.124 . . . . 1.0 110.266 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 617' ' ' ARG . . . . . 0.526 ' NH1' ' OD1' ' A' ' 637' ' ' ASP . 7.0 ttt180 -157.08 139.62 14.91 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.449 1.093 . . . . 1.0 110.312 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 618' ' ' LYS . . . . . 0.69 ' HG3' HG23 ' A' ' 612' ' ' THR . 12.7 tptt -118.48 -98.47 0.45 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 1.0 109.241 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 619' ' ' CYS . . . . . 0.47 ' O ' ' CG ' ' A' ' 611' ' ' GLU . 27.9 m -156.59 -177.2 6.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 1.0 108.236 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 620' ' ' LEU . . . . . 1.07 HD13 ' CD1' ' A' ' 640' ' ' LEU . 0.2 OUTLIER -96.38 148.43 22.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.441 1.088 . . . . 1.0 109.331 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 621' ' ' LEU . . . . . 0.709 HD23 ' CG ' ' A' ' 610' ' ' GLU . 0.1 OUTLIER -112.88 161.0 17.47 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 1.0 109.305 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 622' ' ' LEU . . . . . 1.001 ' CD1' HD11 ' A' ' 632' ' ' LEU . 9.1 mt -154.21 87.81 1.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 1.0 109.303 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 623' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.28 136.21 33.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 1.0 109.331 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 624' ' ' ILE . . . . . 0.938 HG22 ' H ' ' A' ' 626' ' ' GLY . 58.9 mt -104.4 143.81 15.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 O-C-N 124.479 1.112 . . . . 1.0 109.285 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 625' ' ' ARG . . . . . 0.511 ' HA ' ' HG3' ' A' ' 607' ' ' GLN . 0.5 OUTLIER -77.34 2.71 15.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.598 1.186 . . . . 1.0 110.38 179.937 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 626' ' ' GLY . . . . . 0.938 ' H ' HG22 ' A' ' 624' ' ' ILE . . . -90.78 -24.04 28.9 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.498 1.124 . . . . 1.0 111.024 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 118.14 45.79 0.48 Allowed Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.02 -0.832 . . . . 1.0 111.02 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 628' ' ' LYS . . . . . . . . . . . . . 1.6 mtmm -147.45 168.6 21.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 0.766 . . . . 1.0 109.274 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 58.6 mt-30 -139.16 157.46 45.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 1.0 110.311 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 630' ' ' PHE . . . . . 0.614 ' CD1' ' HD2' ' A' ' 567' ' ' LYS . 0.8 OUTLIER -142.27 148.65 38.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.572 1.17 . . . . 1.0 110.976 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 631' ' ' ILE . . . . . 0.565 HG22 ' O ' ' A' ' 631' ' ' ILE . 0.2 OUTLIER -128.83 104.54 11.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.519 1.137 . . . . 1.0 109.296 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 632' ' ' LEU . . . . . 1.001 HD11 ' CD1' ' A' ' 622' ' ' LEU . 1.1 mp -90.52 154.98 19.22 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.105 . . . . 1.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 633' ' ' GLN . . . . . 0.449 ' HB2' ' SG ' ' A' ' 619' ' ' CYS . 1.0 OUTLIER -156.34 145.73 20.71 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.4 1.062 . . . . 1.0 110.269 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 634' ' ' CYS . . . . . 0.568 ' HB2' HD23 ' A' ' 640' ' ' LEU . 0.5 OUTLIER -153.98 152.44 30.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.396 1.06 . . . . 1.0 108.299 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 635' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -76.0 -16.69 59.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 1.0 109.263 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 636' ' ' SER . . . . . 0.475 ' CB ' ' HB2' ' A' ' 639' ' ' GLU . 0.4 OUTLIER -93.27 146.22 23.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 1.0 110.013 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 637' ' ' ASP . . . . . 0.684 ' N ' ' CD ' ' A' ' 638' ' ' PRO . 5.3 m-20 -81.42 -40.9 1.06 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 1.0 109.296 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 638' ' ' PRO . . . . . 0.684 ' CD ' ' N ' ' A' ' 637' ' ' ASP . 18.7 Cg_endo -74.86 -55.34 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.446 1.761 . . . . 1.0 111.064 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 639' ' ' GLU . . . . . 0.588 ' C ' ' O ' ' A' ' 638' ' ' PRO . 6.3 tp10 -22.2 -76.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 1.0 110.233 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 640' ' ' LEU . . . . . 1.07 ' CD1' HD13 ' A' ' 620' ' ' LEU . 0.1 OUTLIER -52.86 -52.48 57.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.553 1.158 . . . . 1.0 109.269 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 641' ' ' VAL . . . . . 0.585 HG12 ' N ' ' A' ' 642' ' ' GLN . 0.6 OUTLIER -42.66 -55.6 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 1.0 109.25 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 642' ' ' GLN . . . . . 0.585 ' N ' HG12 ' A' ' 641' ' ' VAL . 0.0 OUTLIER -65.62 -38.58 89.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.438 1.086 . . . . 1.0 110.297 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 643' ' ' TRP . . . . . 0.823 ' CZ3' ' HB2' ' A' ' 583' ' ' LEU . 16.8 m95 -56.86 -46.61 81.69 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.569 1.168 . . . . 1.0 108.019 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 644' ' ' LYS . . . . . 0.882 ' HE2' HD11 ' A' ' 620' ' ' LEU . 1.8 ttpt -58.26 -56.65 19.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.594 1.184 . . . . 1.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 6.8 tmtm? -40.99 -51.22 3.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 1.0 109.297 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 646' ' ' GLU . . . . . 0.6 ' CB ' HD23 ' A' ' 583' ' ' LEU . 0.3 OUTLIER -72.82 -32.31 65.43 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.514 1.133 . . . . 1.0 110.226 -179.94 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 647' ' ' LEU . . . . . 0.618 ' HG ' HD21 ' A' ' 583' ' ' LEU . 0.5 OUTLIER -69.13 -62.73 1.26 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 1.0 109.286 -179.943 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 648' ' ' ARG . . . . . 0.57 ' HG3' ' CG1' ' A' ' 609' ' ' VAL . 1.4 ttt180 -41.49 -50.6 3.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.436 1.085 . . . . 1.0 110.265 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 649' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -61.98 -53.39 56.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 1.0 109.31 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 650' ' ' ALA . . . . . 0.538 ' O ' ' SD ' ' A' ' 603' ' ' MET . . . -41.57 -53.02 3.61 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.588 1.18 . . . . 1.0 109.391 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 651' ' ' TYR . . . . . 1.231 ' CD2' HG21 ' A' ' 606' ' ' ILE . 10.2 m-30 -69.85 -43.35 72.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 1.0 111.025 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 652' ' ' ARG . . . . . 0.5 ' O ' ' HB2' ' A' ' 655' ' ' GLN . 11.4 mmm180 -58.02 -64.82 0.78 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 1.0 110.282 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 653' ' ' GLU . . . . . 0.625 ' O ' HD13 ' A' ' 657' ' ' LEU . 0.0 OUTLIER -40.91 -53.41 2.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.436 1.085 . . . . 1.0 110.281 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 654' ' ' ALA . . . . . 0.727 ' HB2' ' SD ' ' A' ' 603' ' ' MET . . . -47.34 -38.68 13.35 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.487 1.117 . . . . 1.0 109.333 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 655' ' ' GLN . . . . . 0.5 ' HB2' ' O ' ' A' ' 652' ' ' ARG . 64.5 mt-30 -67.08 -65.3 0.7 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 1.0 110.323 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 656' ' ' GLN . . . . . 0.471 ' CG ' ' HA ' ' A' ' 653' ' ' GLU . 2.4 pt20 -56.74 -19.13 15.25 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.522 1.139 . . . . 1.0 110.379 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 657' ' ' LEU . . . . . 0.625 HD13 ' O ' ' A' ' 653' ' ' GLU . 8.9 mp -87.96 -30.56 19.94 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 124.511 1.132 . . . . 1.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 658' ' ' VAL . . . . . 0.454 ' O ' HG13 ' A' ' 658' ' ' VAL . 0.5 OUTLIER -106.02 15.36 7.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 1.0 109.259 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 659' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 655' ' ' GLN . 3.2 mt-30 -84.24 47.97 1.42 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.569 1.168 . . . . 1.0 110.262 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 660' ' ' ARG . . . . . . . . . . . . . 4.2 ttp85 -86.99 14.94 6.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 1.0 110.316 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 661' ' ' VAL . . . . . . . . . . . . . 7.6 p -134.34 114.49 12.5 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.597 1.186 . . . . 1.0 109.329 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 662' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 -171.68 1.05 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.514 1.797 . . . . 1.0 111.063 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.01 -55.72 17.32 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.575 1.172 . . . . 1.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 664' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -64.97 178.47 0.82 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 1.0 111.031 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 665' ' ' LYS . . . . . 0.41 ' O ' ' CB ' ' A' ' 666' ' ' ASN . 0.0 OUTLIER -65.06 -58.68 5.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.43 1.081 . . . . 1.0 109.272 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 666' ' ' ASN . . . . . 0.41 ' CB ' ' O ' ' A' ' 665' ' ' LYS . 30.1 t-20 75.14 -58.55 0.57 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 1.0 109.263 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.59 70.97 1.65 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 1.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 668' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 56.33 4.22 Favored 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.57 1.827 . . . . 1.0 111.021 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -166.54 118.01 0.98 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.444 1.09 . . . . 1.0 110.298 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 11.7 p . . . . . 0 C--O 1.249 1.043 0 CA-C-O 117.051 -1.452 . . . . 1.0 110.007 179.98 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.073 0 N-CA-C 110.979 -0.848 . . . . 1.0 110.979 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 553' ' ' SER . . . . . . . . . . . . . 32.8 p -178.39 99.63 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.533 0.784 . . . . 1.0 110.0 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 554' ' ' HIS . . . . . 0.44 ' C ' ' CD2' ' A' ' 554' ' ' HIS . 0.0 OUTLIER -175.16 165.28 3.38 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.596 1.185 . . . . 1.0 109.678 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 555' ' ' MET . . . . . . . . . . . . . 2.0 mpp? -122.26 164.03 18.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 1.0 110.963 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . -79.31 -171.03 40.47 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.54 1.15 . . . . 1.0 111.011 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 12.4 tttt -144.23 60.53 1.35 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.42 0.718 . . . . 1.0 109.271 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 558' ' ' ASP . . . . . 0.493 ' O ' ' CE2' ' A' ' 584' ' ' PHE . 0.1 OUTLIER -118.1 -95.16 0.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.417 1.073 . . . . 1.0 109.233 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 559' ' ' CYS . . . . . . . . . . . . . 45.1 t -156.36 151.1 25.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 1.0 108.345 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 560' ' ' ILE . . . . . 0.678 HD11 ' HA ' ' A' ' 585' ' ' PRO . 34.1 mt -97.59 -57.52 4.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 1.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 561' ' ' MET . . . . . 0.679 ' HE1' ' OE1' ' A' ' 642' ' ' GLN . 0.0 OUTLIER -145.54 149.93 35.49 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.554 1.159 . . . . 1.0 111.015 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 562' ' ' HIS . . . . . . . . . . . . . 1.5 p80 -144.72 148.7 34.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 1.0 109.607 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 563' ' ' GLY . . . . . . . . . . . . . . . 170.06 -168.57 41.51 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.487 1.117 . . . . 1.0 110.995 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 564' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -97.1 125.53 41.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 0.745 . . . . 1.0 110.992 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 565' ' ' MET . . . . . 0.627 ' SD ' ' CD2' ' A' ' 640' ' ' LEU . 1.3 mtm -130.55 -176.64 4.04 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.442 1.089 . . . . 1.0 111.015 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 566' ' ' SER . . . . . 0.472 ' O ' ' N ' ' A' ' 633' ' ' GLN . 0.6 OUTLIER -154.9 101.83 2.3 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.532 1.145 . . . . 1.0 110.002 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 567' ' ' LYS . . . . . 0.568 ' HG2' ' O ' ' A' ' 631' ' ' ILE . 5.9 tmmm? -121.15 159.72 25.23 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.558 1.161 . . . . 1.0 109.244 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 568' ' ' MET . . . . . 0.422 ' N ' ' HD2' ' A' ' 567' ' ' LYS . 0.0 OUTLIER -171.87 175.17 3.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 1.0 110.951 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 569' ' ' GLY . . . . . 0.419 ' C ' ' CG ' ' A' ' 570' ' ' ASN . . . -173.2 121.39 0.86 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.488 1.118 . . . . 1.0 110.981 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 570' ' ' ASN . . . . . 0.581 ' CB ' ' CD ' ' A' ' 571' ' ' PRO . 0.0 OUTLIER -166.3 -177.66 0.61 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.538 0.787 . . . . 1.0 109.34 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 571' ' ' PRO . . . . . 0.581 ' CD ' ' CB ' ' A' ' 570' ' ' ASN . 18.0 Cg_endo -75.05 13.71 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.487 1.783 . . . . 1.0 110.913 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 572' ' ' PHE . . . . . 0.547 ' CE2' ' HG2' ' A' ' 571' ' ' PRO . 10.4 m-85 -141.36 88.01 2.12 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.427 1.079 . . . . 1.0 110.997 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -83.8 86.64 7.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 1.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 574' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -157.49 -30.7 0.08 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.446 1.091 . . . . 1.0 110.439 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 575' ' ' GLN . . . . . 0.607 ' O ' ' CD1' ' A' ' 576' ' ' TRP . 12.6 pt20 -95.6 164.13 12.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.478 1.111 . . . . 1.0 110.265 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 576' ' ' TRP . . . . . 0.607 ' CD1' ' O ' ' A' ' 575' ' ' GLN . 1.8 m-90 -146.34 136.04 23.22 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.002 -1.11 . . . . 1.0 108.002 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 577' ' ' GLN . . . . . 0.479 ' HG2' ' CG ' ' A' ' 579' ' ' ARG . 24.4 tt0 -101.69 118.3 36.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.598 1.186 . . . . 1.0 110.338 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 578' ' ' ARG . . . . . 0.412 ' C ' ' HG2' ' A' ' 579' ' ' ARG . 0.0 OUTLIER -83.95 104.22 13.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 1.0 110.201 -179.927 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 579' ' ' ARG . . . . . 0.5 ' O ' ' O ' ' A' ' 565' ' ' MET . 1.1 mmm180 -136.44 164.97 26.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 1.0 110.281 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 580' ' ' TYR . . . . . 0.416 ' N ' ' O ' ' A' ' 591' ' ' ARG . 0.8 OUTLIER -88.3 127.43 35.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.143 . . . . 1.0 110.963 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 581' ' ' PHE . . . . . 0.553 ' CE2' ' HB3' ' A' ' 590' ' ' TRP . 6.8 m-85 -113.44 165.31 12.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 1.0 111.039 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 582' ' ' TYR . . . . . 0.488 ' O ' ' HA ' ' A' ' 588' ' ' LEU . 0.6 OUTLIER -144.1 116.62 8.61 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.51 1.131 . . . . 1.0 111.018 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 583' ' ' LEU . . . . . 0.837 ' HB2' ' CZ3' ' A' ' 643' ' ' TRP . 6.8 tp -91.59 114.14 26.59 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.475 1.11 . . . . 1.0 109.268 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 584' ' ' PHE . . . . . 0.526 ' CD2' ' HD2' ' A' ' 585' ' ' PRO . 0.3 OUTLIER -106.49 168.21 8.47 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 1.0 111.077 179.936 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 585' ' ' PRO . . . . . 0.678 ' HA ' HD11 ' A' ' 560' ' ' ILE . 18.1 Cg_endo -75.02 22.78 0.41 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.553 1.818 . . . . 1.0 111.017 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 586' ' ' ASN . . . . . 0.798 ' O ' HG22 ' A' ' 602' ' ' THR . 0.4 OUTLIER 174.55 -46.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 1.0 109.303 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 587' ' ' ARG . . . . . 0.543 ' HA ' ' HA ' ' A' ' 602' ' ' THR . 0.0 OUTLIER -90.82 -174.06 3.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 1.0 110.286 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 588' ' ' LEU . . . . . 0.488 ' HA ' ' O ' ' A' ' 582' ' ' TYR . 0.1 OUTLIER 178.94 119.98 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 1.0 109.29 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 589' ' ' GLU . . . . . 0.478 ' N ' HD12 ' A' ' 588' ' ' LEU . 0.5 OUTLIER -109.88 157.41 19.26 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.453 1.095 . . . . 1.0 110.321 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 590' ' ' TRP . . . . . 0.553 ' HB3' ' CE2' ' A' ' 581' ' ' PHE . 6.4 p-90 -151.43 105.3 3.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 1.0 108.005 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 591' ' ' ARG . . . . . 0.441 ' NE ' ' HB3' ' A' ' 598' ' ' GLN . 0.8 OUTLIER -149.03 -171.24 3.83 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.509 1.13 . . . . 1.0 110.254 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . -102.04 -123.04 5.16 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.426 1.079 . . . . 1.0 110.974 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.4 128.72 34.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.374 0.691 . . . . 1.0 110.263 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . 131.57 -135.94 8.5 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.506 1.129 . . . . 1.0 110.987 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 595' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 168.64 30.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.611 0.83 . . . . 1.0 110.304 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . -90.42 155.48 46.29 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.466 1.104 . . . . 1.0 109.264 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 597' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 126.95 10.3 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.521 1.8 . . . . 1.0 110.992 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 598' ' ' GLN . . . . . 0.441 ' HB3' ' NE ' ' A' ' 591' ' ' ARG . 7.4 tt0 -156.04 -75.07 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 1.0 110.339 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 599' ' ' SER . . . . . 0.516 ' HB3' ' CE2' ' A' ' 590' ' ' TRP . 53.1 m -108.44 98.51 8.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.57 1.169 . . . . 1.0 109.935 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -128.86 149.38 50.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 1.0 109.24 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 601' ' ' LEU . . . . . 0.481 ' O ' ' N ' ' A' ' 588' ' ' LEU . 6.8 tp -150.37 156.42 41.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 1.0 109.301 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 602' ' ' THR . . . . . 0.798 HG22 ' O ' ' A' ' 586' ' ' ASN . 0.2 OUTLIER -95.18 -165.95 1.38 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.423 1.077 . . . . 1.0 110.339 -179.9 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 603' ' ' MET . . . . . 0.682 ' CG ' ' HA ' ' A' ' 586' ' ' ASN . 0.1 OUTLIER -128.23 33.95 4.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.408 1.068 . . . . 1.0 111.003 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 604' ' ' GLU . . . . . 0.429 ' HB3' ' HB1' ' A' ' 654' ' ' ALA . 8.8 pt-20 -124.65 58.1 1.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 1.0 110.328 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 605' ' ' GLU . . . . . 0.502 ' O ' ' C ' ' A' ' 606' ' ' ILE . 2.7 pt-20 -158.9 -51.75 0.06 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.62 1.2 . . . . 1.0 110.272 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 606' ' ' ILE . . . . . 1.355 HG21 ' CD2' ' A' ' 651' ' ' TYR . 0.9 OUTLIER -32.74 137.4 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.527 1.142 . . . . 1.0 109.257 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 607' ' ' GLN . . . . . 0.577 ' HG3' ' HA ' ' A' ' 625' ' ' ARG . 0.0 OUTLIER -92.28 -37.38 12.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 1.0 110.363 179.937 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 608' ' ' SER . . . . . 0.403 ' HB2' ' HD3' ' A' ' 623' ' ' LYS . 1.1 m -173.97 133.06 0.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 1.0 109.956 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 609' ' ' VAL . . . . . 0.946 HG22 ' CD ' ' A' ' 644' ' ' LYS . 3.2 p -104.65 141.01 21.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 1.0 109.329 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 610' ' ' GLU . . . . . 0.89 ' CD ' HD23 ' A' ' 621' ' ' LEU . 0.5 OUTLIER -159.9 -170.83 3.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 1.0 110.246 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 611' ' ' GLU . . . . . 0.657 ' HA ' ' HA ' ' A' ' 620' ' ' LEU . 24.2 tt0 -141.19 145.04 35.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 1.0 110.323 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 612' ' ' THR . . . . . 0.913 HG23 ' HG3' ' A' ' 618' ' ' LYS . 0.0 OUTLIER -108.77 167.23 10.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 1.0 110.452 179.932 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 13.1 mp0 -132.06 158.57 41.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 1.0 110.285 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 614' ' ' ILE . . . . . 0.801 HG22 ' O ' ' A' ' 614' ' ' ILE . 0.2 OUTLIER -142.96 84.56 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 1.0 109.355 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 615' ' ' LYS . . . . . 0.424 ' HB2' ' O ' ' A' ' 614' ' ' ILE . 4.6 mmtm 82.39 -34.59 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 1.0 109.326 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 616' ' ' GLU . . . . . 0.433 ' H ' ' C ' ' A' ' 614' ' ' ILE . 3.2 tt0 -156.33 -47.47 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 1.0 110.336 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 4.7 ttm180 -154.7 138.09 15.85 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 1.0 110.244 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 618' ' ' LYS . . . . . 0.913 ' HG3' HG23 ' A' ' 612' ' ' THR . 6.9 tptt -118.15 -97.97 0.46 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 1.0 109.225 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 619' ' ' CYS . . . . . 0.494 ' O ' ' CG ' ' A' ' 611' ' ' GLU . 25.7 m -157.75 -175.88 5.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 1.0 108.344 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 620' ' ' LEU . . . . . 1.059 ' CD1' HD12 ' A' ' 640' ' ' LEU . 0.2 OUTLIER -100.05 137.1 38.96 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.575 1.172 . . . . 1.0 109.315 179.942 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 621' ' ' LEU . . . . . 0.89 HD23 ' CD ' ' A' ' 610' ' ' GLU . 3.0 tp -92.44 159.61 15.46 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.566 1.166 . . . . 1.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 622' ' ' LEU . . . . . 1.042 HD12 HD11 ' A' ' 632' ' ' LEU . 1.0 OUTLIER -157.53 87.87 0.97 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.527 1.142 . . . . 1.0 109.331 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 623' ' ' LYS . . . . . 0.403 ' HD3' ' HB2' ' A' ' 608' ' ' SER . 0.0 OUTLIER -91.79 137.64 32.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.446 1.091 . . . . 1.0 109.229 -179.904 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 624' ' ' ILE . . . . . 0.965 HG22 ' H ' ' A' ' 626' ' ' GLY . 64.7 mt -106.32 143.79 16.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 1.0 109.413 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 625' ' ' ARG . . . . . 0.577 ' HA ' ' HG3' ' A' ' 607' ' ' GLN . 2.9 ptm180 -79.21 3.32 18.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.568 1.168 . . . . 1.0 110.243 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 626' ' ' GLY . . . . . 0.965 ' H ' HG22 ' A' ' 624' ' ' ILE . . . -89.78 -22.38 36.57 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.525 1.141 . . . . 1.0 111.063 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 116.99 43.75 0.6 Allowed Glycine 0 CA--C 1.53 0.974 0 N-CA-C 110.941 -0.864 . . . . 1.0 110.941 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 628' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -145.3 168.46 20.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 0.779 . . . . 1.0 109.191 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 8.5 mp0 -146.38 141.0 26.77 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.574 1.171 . . . . 1.0 110.321 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 630' ' ' PHE . . . . . 0.521 ' CD1' ' HD3' ' A' ' 567' ' ' LYS . 1.7 m-85 -134.54 162.81 31.24 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.474 1.109 . . . . 1.0 110.942 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 631' ' ' ILE . . . . . 0.568 ' O ' ' HG2' ' A' ' 567' ' ' LYS . 0.2 OUTLIER -138.67 113.05 7.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.099 . . . . 1.0 109.282 -179.94 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 632' ' ' LEU . . . . . 1.042 HD11 HD12 ' A' ' 622' ' ' LEU . 1.5 mp -86.04 157.54 20.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 1.0 109.344 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 633' ' ' GLN . . . . . 0.472 ' N ' ' O ' ' A' ' 566' ' ' SER . 7.2 tp60 -155.82 140.4 16.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 1.0 110.308 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 634' ' ' CYS . . . . . 0.406 ' HB2' HD23 ' A' ' 640' ' ' LEU . 0.5 OUTLIER -153.43 159.99 42.49 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.595 1.184 . . . . 1.0 108.361 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 635' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -83.61 -17.94 39.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.54 1.15 . . . . 1.0 109.314 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 636' ' ' SER . . . . . 0.598 ' HB2' ' CG ' ' A' ' 639' ' ' GLU . 7.4 m -91.24 150.93 21.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.42 1.075 . . . . 1.0 109.928 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 637' ' ' ASP . . . . . 0.677 ' N ' ' CD ' ' A' ' 638' ' ' PRO . 0.2 OUTLIER -87.19 -41.87 0.53 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.401 1.063 . . . . 1.0 109.317 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 638' ' ' PRO . . . . . 0.677 ' CD ' ' N ' ' A' ' 637' ' ' ASP . 18.0 Cg_endo -75.03 -58.94 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.222 0 O-C-N 124.537 1.809 . . . . 1.0 110.936 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 639' ' ' GLU . . . . . 0.606 ' C ' ' O ' ' A' ' 638' ' ' PRO . 10.3 mm-40 -20.92 -78.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.089 . . . . 1.0 110.291 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 640' ' ' LEU . . . . . 1.059 HD12 ' CD1' ' A' ' 620' ' ' LEU . 0.1 OUTLIER -51.04 -54.04 28.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.556 1.16 . . . . 1.0 109.236 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 641' ' ' VAL . . . . . 0.619 HG12 ' N ' ' A' ' 642' ' ' GLN . 0.9 OUTLIER -41.48 -57.75 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 1.0 109.298 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 642' ' ' GLN . . . . . 0.679 ' OE1' ' HE1' ' A' ' 561' ' ' MET . 21.9 mt-30 -61.02 -40.5 93.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 1.0 110.347 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 643' ' ' TRP . . . . . 0.837 ' CZ3' ' HB2' ' A' ' 583' ' ' LEU . 12.7 m95 -52.84 -49.89 64.83 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.024 -1.102 . . . . 1.0 108.024 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 644' ' ' LYS . . . . . 0.946 ' CD ' HG22 ' A' ' 609' ' ' VAL . 0.5 OUTLIER -53.12 -57.48 10.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 1.0 109.349 179.953 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 9.9 tmtt? -40.1 -54.97 2.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.158 . . . . 1.0 109.173 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 646' ' ' GLU . . . . . 0.602 ' HG2' HG22 ' A' ' 560' ' ' ILE . 0.6 OUTLIER -69.76 -30.26 67.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 1.0 110.283 -179.918 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 647' ' ' LEU . . . . . 0.934 HD22 ' CZ ' ' A' ' 651' ' ' TYR . 2.4 mt -71.14 -62.76 1.28 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.485 1.116 . . . . 1.0 109.239 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 648' ' ' ARG . . . . . 0.553 ' N ' ' O ' ' A' ' 644' ' ' LYS . 2.0 ttp180 -37.73 -54.4 1.22 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.523 1.14 . . . . 1.0 110.287 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 649' ' ' ASP . . . . . 0.409 ' O ' ' N ' ' A' ' 653' ' ' GLU . 0.4 OUTLIER -61.57 -43.11 99.47 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.523 1.139 . . . . 1.0 109.368 179.937 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 650' ' ' ALA . . . . . 0.49 ' HB1' ' SD ' ' A' ' 603' ' ' MET . . . -51.23 -47.91 62.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 1.0 109.266 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 651' ' ' TYR . . . . . 1.355 ' CD2' HG21 ' A' ' 606' ' ' ILE . 13.9 m-30 -75.41 -39.42 59.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.424 1.078 . . . . 1.0 110.949 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 652' ' ' ARG . . . . . 0.495 ' O ' ' HB2' ' A' ' 655' ' ' GLN . 36.5 mtp85 -63.22 -63.02 1.31 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.449 1.093 . . . . 1.0 110.289 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 653' ' ' GLU . . . . . 0.659 ' O ' HD13 ' A' ' 657' ' ' LEU . 0.8 OUTLIER -45.48 -53.33 9.01 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.401 1.063 . . . . 1.0 110.317 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 654' ' ' ALA . . . . . 0.429 ' HB1' ' HB3' ' A' ' 604' ' ' GLU . . . -48.6 -36.39 15.62 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.546 1.153 . . . . 1.0 109.318 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 655' ' ' GLN . . . . . 0.65 ' HA ' HG12 ' A' ' 658' ' ' VAL . 62.7 mt-30 -72.34 -66.84 0.6 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 1.0 110.31 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 656' ' ' GLN . . . . . 0.577 ' CG ' ' HA ' ' A' ' 653' ' ' GLU . 3.7 pt20 -51.45 -21.21 2.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 1.0 110.304 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 657' ' ' LEU . . . . . 0.659 HD13 ' O ' ' A' ' 653' ' ' GLU . 8.9 mp -87.23 -25.96 23.75 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.115 . . . . 1.0 109.338 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 658' ' ' VAL . . . . . 0.65 HG12 ' HA ' ' A' ' 655' ' ' GLN . 4.0 p -109.25 14.92 8.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 1.0 109.308 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 659' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' A' ' 655' ' ' GLN . 1.0 OUTLIER -82.82 -38.34 23.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 1.0 110.354 179.938 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 660' ' ' ARG . . . . . 0.437 ' O ' ' C ' ' A' ' 661' ' ' VAL . 0.0 OUTLIER -80.35 6.13 12.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 1.0 110.406 179.911 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 661' ' ' VAL . . . . . 0.437 ' C ' ' O ' ' A' ' 660' ' ' ARG . 5.6 p 37.85 66.83 2.23 Favored Pre-proline 0 C--N 1.326 -0.419 0 O-C-N 124.502 1.126 . . . . 1.0 109.258 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 662' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.13 53.88 3.53 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.467 1.772 . . . . 1.0 111.012 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 3.5 ttpp -149.36 -52.87 0.16 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.563 1.164 . . . . 1.0 109.253 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 664' ' ' MET . . . . . 0.484 ' O ' ' CB ' ' A' ' 665' ' ' LYS . 0.0 OUTLIER -123.35 115.53 21.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 1.0 111.066 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 665' ' ' LYS . . . . . 0.484 ' CB ' ' O ' ' A' ' 664' ' ' MET . 0.8 OUTLIER 86.0 -50.98 0.07 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 1.0 109.295 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 666' ' ' ASN . . . . . . . . . . . . . 1.7 m120 70.54 -61.46 0.47 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.432 1.082 . . . . 1.0 109.305 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 10.5 tmtt? 67.85 116.29 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 1.0 109.215 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 668' ' ' PRO . . . . . 0.497 ' O ' ' CG ' ' A' ' 669' ' ' ARG . 18.4 Cg_endo -74.97 55.76 4.03 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.473 1.775 . . . . 1.0 110.961 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . 0.497 ' CG ' ' O ' ' A' ' 668' ' ' PRO . 9.2 ptt-85 45.12 -169.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.554 1.159 . . . . 1.0 110.361 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 45.2 t . . . . . 0 C--O 1.25 1.115 0 CA-C-O 117.026 -1.464 . . . . 1.0 109.968 -179.948 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.052 0 N-CA-C 111.036 -0.825 . . . . 1.0 111.036 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 553' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -166.39 165.16 17.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.596 0.821 . . . . 1.0 109.98 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 554' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER 66.57 159.35 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 1.0 109.597 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 555' ' ' MET . . . . . 0.492 ' HB2' ' CG ' ' A' ' 586' ' ' ASN . 11.3 mmt -153.24 91.67 1.54 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.483 1.114 . . . . 1.0 110.916 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . 45.11 -159.77 0.16 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.534 1.146 . . . . 1.0 111.024 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 20.1 tttt -143.68 79.26 1.62 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.389 0.699 . . . . 1.0 109.354 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 558' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -149.73 107.65 3.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 1.0 109.283 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 559' ' ' CYS . . . . . 0.523 ' HG ' ' HD1' ' A' ' 584' ' ' PHE . 3.2 t -69.41 139.25 54.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.577 1.173 . . . . 1.0 108.309 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 560' ' ' ILE . . . . . 0.69 ' HB ' ' CD2' ' A' ' 583' ' ' LEU . 3.9 mt -90.41 -57.0 4.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 1.0 109.253 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 561' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.13 146.1 30.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 1.0 111.047 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 562' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -148.7 152.16 36.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 1.0 109.589 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 563' ' ' GLY . . . . . . . . . . . . . . . 157.08 -158.9 29.23 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.485 1.116 . . . . 1.0 110.996 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 564' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -88.15 126.92 35.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 0.752 . . . . 1.0 110.992 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 565' ' ' MET . . . . . 0.643 ' O ' ' O ' ' A' ' 579' ' ' ARG . 0.0 OUTLIER -144.47 134.29 23.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 1.0 111.004 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 566' ' ' SER . . . . . 0.517 ' O ' ' N ' ' A' ' 633' ' ' GLN . 0.2 OUTLIER -101.97 114.04 27.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.115 . . . . 1.0 110.044 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 567' ' ' LYS . . . . . 0.586 ' HB2' HD23 ' A' ' 632' ' ' LEU . 7.7 tttt -153.43 138.97 17.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 1.0 109.27 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 568' ' ' MET . . . . . 0.469 ' N ' ' HG2' ' A' ' 567' ' ' LYS . 0.0 OUTLIER 170.45 -160.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.09 . . . . 1.0 110.994 179.912 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 569' ' ' GLY . . . . . . . . . . . . . . . 64.42 140.39 0.02 OUTLIER Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.415 1.072 . . . . 1.0 111.008 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 570' ' ' ASN . . . . . 0.746 ' CB ' ' HD3' ' A' ' 571' ' ' PRO . 0.4 OUTLIER -148.01 -63.96 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.524 0.779 . . . . 1.0 109.357 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 571' ' ' PRO . . . . . 0.746 ' HD3' ' CB ' ' A' ' 570' ' ' ASN . 18.4 Cg_endo -74.95 -32.26 5.61 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.555 1.818 . . . . 1.0 110.978 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 572' ' ' PHE . . . . . 0.473 ' CE2' ' HG2' ' A' ' 571' ' ' PRO . 1.4 m-85 -127.54 81.81 2.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.607 1.192 . . . . 1.0 110.944 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 573' ' ' LEU . . . . . 0.489 HD21 ' HB ' ' A' ' 631' ' ' ILE . 1.2 tp -83.88 85.35 7.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.431 1.082 . . . . 1.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 574' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -131.41 -41.69 1.08 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.504 1.127 . . . . 1.0 110.39 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 25.8 pt20 -128.25 150.23 50.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 1.0 110.329 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 576' ' ' TRP . . . . . 0.457 ' CE3' ' HG3' ' A' ' 633' ' ' GLN . 1.1 m-90 -111.51 175.84 5.26 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 107.951 -1.129 . . . . 1.0 107.951 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 577' ' ' GLN . . . . . 0.424 ' O ' ' HB2' ' A' ' 566' ' ' SER . 1.4 mm-40 -143.58 140.68 30.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.568 1.168 . . . . 1.0 110.234 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 578' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -83.93 118.66 24.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.569 1.168 . . . . 1.0 110.256 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 579' ' ' ARG . . . . . 0.643 ' O ' ' O ' ' A' ' 565' ' ' MET . 48.4 mtp180 -142.77 162.71 34.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 1.0 110.305 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 580' ' ' TYR . . . . . 0.41 ' CD1' ' HE1' ' A' ' 582' ' ' TYR . 0.2 OUTLIER -88.73 119.71 29.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.452 1.095 . . . . 1.0 111.027 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 581' ' ' PHE . . . . . 0.564 ' CZ ' ' HB3' ' A' ' 590' ' ' TRP . 4.7 m-85 -119.12 155.79 30.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 1.0 111.054 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 582' ' ' TYR . . . . . 0.458 ' O ' ' HA ' ' A' ' 588' ' ' LEU . 7.2 m-85 -136.05 117.89 15.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 1.0 111.037 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 583' ' ' LEU . . . . . 0.861 HD12 ' HG ' ' A' ' 647' ' ' LEU . 6.5 tt -89.05 119.68 29.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 1.0 109.271 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 584' ' ' PHE . . . . . 0.633 ' CD2' ' HD2' ' A' ' 585' ' ' PRO . 0.2 OUTLIER -110.6 -176.74 0.41 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.402 1.064 . . . . 1.0 110.989 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 585' ' ' PRO . . . . . 0.633 ' HD2' ' CD2' ' A' ' 584' ' ' PHE . 18.2 Cg_endo -75.07 7.99 2.64 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.542 1.811 . . . . 1.0 110.98 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 586' ' ' ASN . . . . . 0.681 ' HA ' ' CG ' ' A' ' 603' ' ' MET . 7.3 p-10 173.73 -33.07 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.145 . . . . 1.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 587' ' ' ARG . . . . . 0.762 ' O ' ' HE1' ' A' ' 603' ' ' MET . 14.9 mtp180 -89.71 173.79 8.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 1.0 110.311 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 588' ' ' LEU . . . . . 0.513 ' CB ' ' HE1' ' A' ' 603' ' ' MET . 0.1 OUTLIER -169.53 131.38 1.14 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.43 1.082 . . . . 1.0 109.304 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 589' ' ' GLU . . . . . 0.478 ' N ' HD12 ' A' ' 588' ' ' LEU . 0.8 OUTLIER -116.65 150.21 38.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 1.0 110.3 179.94 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 590' ' ' TRP . . . . . 0.59 ' NE1' HD23 ' A' ' 601' ' ' LEU . 0.6 OUTLIER -143.61 87.98 1.97 Allowed 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 107.912 -1.144 . . . . 1.0 107.912 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 1.3 mmt180 -103.59 178.82 4.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.125 . . . . 1.0 110.246 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . 155.91 -172.15 33.86 Favored Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.507 1.129 . . . . 1.0 111.051 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -81.08 165.67 21.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 0.734 . . . . 1.0 110.344 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . 38.83 79.43 0.04 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.449 1.093 . . . . 1.0 110.959 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 595' ' ' GLU . . . . . . . . . . . . . 20.0 tp10 -177.73 164.44 1.98 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 0.747 . . . . 1.0 110.377 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 596' ' ' ALA . . . . . 0.436 ' HB1' ' HD2' ' A' ' 597' ' ' PRO . . . -79.61 162.61 62.45 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 1.0 109.249 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 597' ' ' PRO . . . . . 0.436 ' HD2' ' HB1' ' A' ' 596' ' ' ALA . 18.8 Cg_endo -74.93 -12.5 21.66 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.401 1.737 . . . . 1.0 111.008 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 598' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -92.44 94.94 9.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.419 1.074 . . . . 1.0 110.294 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 599' ' ' SER . . . . . 0.423 ' HB3' ' CD2' ' A' ' 590' ' ' TRP . 39.4 m -154.34 77.43 1.06 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.425 1.078 . . . . 1.0 109.961 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 1.3 mt -140.27 107.86 5.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 1.0 109.302 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 601' ' ' LEU . . . . . 0.59 HD23 ' NE1' ' A' ' 590' ' ' TRP . 2.3 mm? -102.49 169.88 8.39 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.52 1.138 . . . . 1.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 602' ' ' THR . . . . . 0.599 HG22 ' O ' ' A' ' 586' ' ' ASN . 0.0 OUTLIER -127.55 -177.22 4.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 1.0 110.377 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 603' ' ' MET . . . . . 0.762 ' HE1' ' O ' ' A' ' 587' ' ' ARG . 0.0 OUTLIER -127.0 44.47 2.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 1.0 110.932 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 604' ' ' GLU . . . . . 0.418 ' O ' ' HG3' ' A' ' 604' ' ' GLU . 17.2 pt-20 -127.14 44.65 2.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 1.0 110.227 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 605' ' ' GLU . . . . . 0.567 ' O ' ' C ' ' A' ' 606' ' ' ILE . 2.8 pt-20 -157.67 -51.16 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 1.0 110.359 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 606' ' ' ILE . . . . . 1.265 HG21 ' CD2' ' A' ' 651' ' ' TYR . 0.9 OUTLIER -25.88 133.22 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.524 1.14 . . . . 1.0 109.285 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 607' ' ' GLN . . . . . 0.557 ' HG3' ' HA ' ' A' ' 625' ' ' ARG . 0.1 OUTLIER -85.81 -38.37 18.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 1.0 110.355 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 608' ' ' SER . . . . . 0.439 ' HB2' ' HD3' ' A' ' 623' ' ' LYS . 5.2 m -175.06 133.93 0.33 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 1.0 110.044 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 609' ' ' VAL . . . . . 1.026 HG22 ' CD ' ' A' ' 644' ' ' LYS . 3.0 p -107.64 139.35 29.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.564 1.165 . . . . 1.0 109.279 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 610' ' ' GLU . . . . . 0.891 ' HG3' HD23 ' A' ' 621' ' ' LEU . 1.0 OUTLIER -159.09 -167.74 2.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 1.0 110.278 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 611' ' ' GLU . . . . . 0.686 ' HA ' ' HA ' ' A' ' 620' ' ' LEU . 24.8 tt0 -138.27 147.3 43.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 1.0 110.347 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 612' ' ' THR . . . . . 0.645 HG23 ' HG3' ' A' ' 618' ' ' LYS . 0.0 OUTLIER -109.87 161.39 15.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.436 1.085 . . . . 1.0 110.461 179.937 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 63.2 mt-30 -125.63 163.31 23.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 1.0 110.264 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 614' ' ' ILE . . . . . 0.793 HG22 ' O ' ' A' ' 614' ' ' ILE . 0.1 OUTLIER -149.14 82.38 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.125 . . . . 1.0 109.303 179.912 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 615' ' ' LYS . . . . . 0.432 ' HB2' ' O ' ' A' ' 614' ' ' ILE . 9.0 mmtt 82.12 -31.49 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 1.0 109.275 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 616' ' ' GLU . . . . . 0.438 ' H ' ' C ' ' A' ' 614' ' ' ILE . 0.9 OUTLIER -157.13 -49.77 0.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.439 1.087 . . . . 1.0 110.374 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 7.1 ttt85 -157.96 141.58 15.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 1.0 110.328 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 618' ' ' LYS . . . . . 0.645 ' HG3' HG23 ' A' ' 612' ' ' THR . 8.8 tptt -120.81 -97.68 0.46 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.431 1.082 . . . . 1.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 619' ' ' CYS . . . . . 0.468 ' O ' ' CG ' ' A' ' 611' ' ' GLU . 2.2 m -157.41 -177.24 6.45 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.448 1.093 . . . . 1.0 108.306 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 620' ' ' LEU . . . . . 1.039 HD13 HD12 ' A' ' 640' ' ' LEU . 0.1 OUTLIER -96.94 140.44 31.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.577 1.173 . . . . 1.0 109.222 -179.942 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 621' ' ' LEU . . . . . 0.891 HD23 ' HG3' ' A' ' 610' ' ' GLU . 0.7 OUTLIER -97.85 161.17 13.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 1.0 109.282 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 622' ' ' LEU . . . . . 0.922 HD12 HD11 ' A' ' 632' ' ' LEU . 0.7 OUTLIER -157.3 91.39 1.17 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.479 1.112 . . . . 1.0 109.315 -179.94 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 623' ' ' LYS . . . . . 0.439 ' HD3' ' HB2' ' A' ' 608' ' ' SER . 0.0 OUTLIER -95.07 136.34 35.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 1.0 109.195 -179.915 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 624' ' ' ILE . . . . . 0.964 HG22 ' H ' ' A' ' 626' ' ' GLY . 58.6 mt -102.19 143.62 14.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 124.538 1.149 . . . . 1.0 109.356 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 625' ' ' ARG . . . . . 0.557 ' HA ' ' HG3' ' A' ' 607' ' ' GLN . 5.3 ptm180 -79.26 3.2 18.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.436 1.085 . . . . 1.0 110.253 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 626' ' ' GLY . . . . . 0.964 ' H ' HG22 ' A' ' 624' ' ' ILE . . . -88.52 -24.91 32.0 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.47 1.106 . . . . 1.0 111.007 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 119.57 42.64 0.53 Allowed Glycine 0 CA--C 1.53 0.978 0 N-CA-C 111.063 -0.815 . . . . 1.0 111.063 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 628' ' ' LYS . . . . . . . . . . . . . 4.6 mtmm -143.0 170.92 14.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.392 0.701 . . . . 1.0 109.335 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -144.06 136.99 27.27 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.515 1.134 . . . . 1.0 110.314 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 630' ' ' PHE . . . . . 0.575 ' CD1' ' HE2' ' A' ' 567' ' ' LYS . 1.5 m-85 -130.72 155.18 47.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.454 1.096 . . . . 1.0 110.998 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 631' ' ' ILE . . . . . 0.489 ' HB ' HD21 ' A' ' 573' ' ' LEU . 0.7 OUTLIER -130.26 123.16 55.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 1.0 109.393 179.928 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 632' ' ' LEU . . . . . 0.922 HD11 HD12 ' A' ' 622' ' ' LEU . 0.7 OUTLIER -97.19 156.21 16.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 1.0 109.32 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 633' ' ' GLN . . . . . 0.517 ' N ' ' O ' ' A' ' 566' ' ' SER . 1.0 OUTLIER -157.62 125.1 5.21 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.585 1.178 . . . . 1.0 110.292 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 634' ' ' CYS . . . . . 0.713 ' HB2' HD23 ' A' ' 640' ' ' LEU . 0.0 OUTLIER -139.84 154.24 47.27 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 1.0 108.373 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 635' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -79.56 -21.02 45.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.101 . . . . 1.0 109.357 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 636' ' ' SER . . . . . 0.467 ' CB ' ' HB2' ' A' ' 639' ' ' GLU . 0.4 OUTLIER -86.37 148.7 25.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 1.0 109.95 -179.903 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 637' ' ' ASP . . . . . 0.642 ' N ' ' CD ' ' A' ' 638' ' ' PRO . 0.3 OUTLIER -84.6 -44.23 0.71 Allowed Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.559 1.162 . . . . 1.0 109.259 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 638' ' ' PRO . . . . . 0.642 ' CD ' ' N ' ' A' ' 637' ' ' ASP . 18.2 Cg_endo -75.04 -52.88 0.1 Allowed 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.561 1.822 . . . . 1.0 110.935 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 639' ' ' GLU . . . . . 0.557 ' C ' ' O ' ' A' ' 638' ' ' PRO . 11.9 mm-40 -24.89 -81.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.397 1.06 . . . . 1.0 110.277 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 640' ' ' LEU . . . . . 1.039 HD12 HD13 ' A' ' 620' ' ' LEU . 0.1 OUTLIER -48.91 -46.78 43.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 1.0 109.285 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 641' ' ' VAL . . . . . 0.603 HG12 ' N ' ' A' ' 642' ' ' GLN . 0.7 OUTLIER -45.01 -56.93 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 1.0 109.287 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 642' ' ' GLN . . . . . 0.603 ' N ' HG12 ' A' ' 641' ' ' VAL . 0.2 OUTLIER -64.05 -42.49 97.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.544 1.153 . . . . 1.0 110.325 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 643' ' ' TRP . . . . . 0.681 ' CZ3' ' HB2' ' A' ' 583' ' ' LEU . 33.9 m95 -52.85 -40.77 63.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 1.0 108.013 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 644' ' ' LYS . . . . . 1.026 ' CD ' HG22 ' A' ' 609' ' ' VAL . 0.0 OUTLIER -64.32 -61.48 2.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.56 1.163 . . . . 1.0 109.346 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 645' ' ' LYS . . . . . 0.459 ' CD ' ' OE1' ' A' ' 646' ' ' GLU . 2.6 tmtm? -39.47 -54.11 1.97 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.411 1.07 . . . . 1.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 646' ' ' GLU . . . . . 0.586 ' HG2' HG22 ' A' ' 560' ' ' ILE . 0.2 OUTLIER -69.29 -32.16 71.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 1.0 110.347 179.937 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 647' ' ' LEU . . . . . 0.861 ' HG ' HD12 ' A' ' 583' ' ' LEU . 12.0 mt -68.03 -59.97 2.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 1.0 109.328 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 648' ' ' ARG . . . . . 0.497 ' N ' ' O ' ' A' ' 644' ' ' LYS . 1.7 ttm105 -40.72 -52.54 2.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 1.0 110.275 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 649' ' ' ASP . . . . . 0.431 ' O ' ' N ' ' A' ' 653' ' ' GLU . 0.4 OUTLIER -63.98 -43.54 95.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.577 1.173 . . . . 1.0 109.248 -179.94 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 650' ' ' ALA . . . . . 0.604 ' HB1' ' CG ' ' A' ' 603' ' ' MET . . . -50.76 -45.11 58.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 1.0 109.354 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 651' ' ' TYR . . . . . 1.265 ' CD2' HG21 ' A' ' 606' ' ' ILE . 18.8 m-30 -78.03 -39.9 40.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 1.0 111.021 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 652' ' ' ARG . . . . . 0.485 ' O ' ' HB2' ' A' ' 655' ' ' GLN . 48.8 mtp85 -64.1 -62.47 1.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 1.0 110.327 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 653' ' ' GLU . . . . . 0.58 ' O ' HD13 ' A' ' 657' ' ' LEU . 0.0 OUTLIER -49.91 -55.78 13.11 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.473 1.108 . . . . 1.0 110.334 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 654' ' ' ALA . . . . . 0.448 ' O ' HG12 ' A' ' 658' ' ' VAL . . . -45.87 -34.86 4.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 1.0 109.293 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 655' ' ' GLN . . . . . 0.629 ' HA ' HG12 ' A' ' 658' ' ' VAL . 64.5 mt-30 -74.75 -67.35 0.65 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 1.0 110.256 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 656' ' ' GLN . . . . . 0.568 ' CG ' ' HA ' ' A' ' 653' ' ' GLU . 4.4 pt20 -52.14 -21.37 3.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.592 1.183 . . . . 1.0 110.311 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 657' ' ' LEU . . . . . 0.58 HD13 ' O ' ' A' ' 653' ' ' GLU . 10.2 mp -86.58 -25.27 25.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 1.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 658' ' ' VAL . . . . . 0.629 HG12 ' HA ' ' A' ' 655' ' ' GLN . 4.3 p -109.51 12.99 8.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 1.0 109.26 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 659' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 655' ' ' GLN . 0.0 OUTLIER -70.16 -73.85 0.15 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 1.0 110.332 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 660' ' ' ARG . . . . . . . . . . . . . 15.5 ptt180 -150.39 48.24 0.89 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.44 1.088 . . . . 1.0 110.271 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 661' ' ' VAL . . . . . . . . . . . . . 95.0 t -106.01 129.19 24.98 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 1.0 109.323 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 662' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.07 177.58 8.41 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.462 1.769 . . . . 1.0 110.942 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -74.91 64.06 1.26 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 1.0 109.294 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 664' ' ' MET . . . . . 0.4 ' O ' ' O ' ' A' ' 665' ' ' LYS . 0.0 OUTLIER 54.55 79.51 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.095 . . . . 1.0 111.129 -179.9 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 665' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' A' ' 664' ' ' MET . 30.8 tptt 40.51 89.84 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 1.0 109.246 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 666' ' ' ASN . . . . . . . . . . . . . 25.7 m-20 -81.17 58.33 3.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 1.0 109.311 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 7.5 ttmt -150.8 123.29 4.11 Favored Pre-proline 0 C--N 1.323 -0.557 0 O-C-N 124.532 1.145 . . . . 1.0 109.296 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 668' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -38.48 1.57 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.474 1.776 . . . . 1.0 111.007 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 14.0 tpt180 62.0 146.34 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.594 1.183 . . . . 1.0 110.316 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.109 0 CA-C-O 116.973 -1.489 . . . . 1.0 109.969 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 110.947 -0.861 . . . . 1.0 110.947 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 553' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 179.79 160.05 0.8 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.436 0.727 . . . . 1.0 110.059 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 554' ' ' HIS . . . . . . . . . . . . . 19.1 m-70 53.19 99.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 1.0 109.58 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 555' ' ' MET . . . . . . . . . . . . . 11.5 ptp -157.95 124.61 4.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 1.0 110.911 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . -98.51 -163.2 30.43 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.554 1.159 . . . . 1.0 110.986 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 557' ' ' LYS . . . . . 0.754 ' O ' ' HG3' ' A' ' 585' ' ' PRO . 56.9 tttt -157.7 110.35 2.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 0.733 . . . . 1.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 558' ' ' ASP . . . . . 0.783 ' O ' ' HD3' ' A' ' 585' ' ' PRO . 16.2 m-20 -77.05 -107.97 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.579 1.175 . . . . 1.0 109.345 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 559' ' ' CYS . . . . . 0.576 ' SG ' ' CD2' ' A' ' 562' ' ' HIS . 0.7 OUTLIER -66.17 112.31 3.86 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.368 1.042 . . . . 1.0 108.266 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 560' ' ' ILE . . . . . 0.798 HD11 ' HA ' ' A' ' 585' ' ' PRO . 26.5 mt -76.38 -56.95 6.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.552 1.157 . . . . 1.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 561' ' ' MET . . . . . 0.434 ' CE ' ' OE1' ' A' ' 642' ' ' GLN . 0.0 OUTLIER -147.64 157.83 43.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.151 . . . . 1.0 111.0 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 562' ' ' HIS . . . . . 0.576 ' CD2' ' SG ' ' A' ' 559' ' ' CYS . 0.1 OUTLIER -158.89 154.3 25.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 1.0 109.574 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 563' ' ' GLY . . . . . . . . . . . . . . . 169.77 -162.87 36.35 Favored Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.414 1.071 . . . . 1.0 111.051 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 564' ' ' TYR . . . . . 0.45 ' HE1' ' CA ' ' A' ' 579' ' ' ARG . 0.4 OUTLIER -108.42 120.2 41.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 0.777 . . . . 1.0 111.007 179.909 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 565' ' ' MET . . . . . 0.629 ' SD ' ' CE2' ' A' ' 643' ' ' TRP . 1.6 ptm -152.6 154.55 35.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 1.0 111.055 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 566' ' ' SER . . . . . 0.508 ' HB2' ' O ' ' A' ' 577' ' ' GLN . 0.1 OUTLIER -116.92 172.23 7.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 1.0 109.986 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 567' ' ' LYS . . . . . 0.625 ' O ' ' CE3' ' A' ' 576' ' ' TRP . 0.0 OUTLIER -156.99 139.03 14.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 1.0 109.276 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 568' ' ' MET . . . . . 0.447 ' N ' ' HG2' ' A' ' 567' ' ' LYS . 22.2 mtt -127.92 -169.36 2.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 1.0 111.042 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 569' ' ' GLY . . . . . 0.83 ' H ' HD22 ' A' ' 573' ' ' LEU . . . -119.35 -81.52 0.72 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.53 1.144 . . . . 1.0 110.993 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 570' ' ' ASN . . . . . 0.747 ' OD1' HD13 ' A' ' 573' ' ' LEU . 0.6 OUTLIER -74.47 173.04 7.26 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.572 0.807 . . . . 1.0 109.35 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 571' ' ' PRO . . . . . 0.6 ' HD2' ' HB3' ' A' ' 570' ' ' ASN . 18.3 Cg_endo -75.07 2.14 7.0 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.541 1.811 . . . . 1.0 110.953 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 572' ' ' PHE . . . . . 0.587 ' CZ ' ' HG2' ' A' ' 571' ' ' PRO . 1.2 m-85 -145.35 52.62 1.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.423 1.077 . . . . 1.0 110.972 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 573' ' ' LEU . . . . . 0.83 HD22 ' H ' ' A' ' 569' ' ' GLY . 5.1 tp -91.47 87.24 6.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 1.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 574' ' ' THR . . . . . . . . . . . . . 7.3 t -90.61 25.59 2.27 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.474 1.109 . . . . 1.0 110.45 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -118.54 26.2 9.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 1.0 110.344 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 576' ' ' TRP . . . . . 0.625 ' CE3' ' O ' ' A' ' 567' ' ' LYS . 0.5 OUTLIER -132.81 175.77 9.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 1.0 108.025 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 577' ' ' GLN . . . . . 0.508 ' O ' ' HB2' ' A' ' 566' ' ' SER . 70.6 mt-30 -158.63 179.15 9.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.428 1.08 . . . . 1.0 110.291 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 578' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -80.51 120.38 24.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.587 1.18 . . . . 1.0 110.306 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 579' ' ' ARG . . . . . 0.522 ' O ' ' O ' ' A' ' 565' ' ' MET . 0.4 OUTLIER -125.97 163.96 21.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.577 1.173 . . . . 1.0 110.272 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 580' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -89.22 128.15 35.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 1.0 111.001 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 581' ' ' PHE . . . . . 0.548 ' CZ ' ' HB2' ' A' ' 590' ' ' TRP . 5.9 m-85 -118.77 159.91 22.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.44 1.087 . . . . 1.0 110.98 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 582' ' ' TYR . . . . . 0.563 ' O ' ' HA ' ' A' ' 588' ' ' LEU . 52.9 m-85 -138.79 121.25 16.11 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.43 1.081 . . . . 1.0 110.967 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 583' ' ' LEU . . . . . 0.7 ' HB2' ' CZ3' ' A' ' 643' ' ' TRP . 6.8 tp -92.41 115.13 27.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 1.0 109.348 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 584' ' ' PHE . . . . . 0.551 ' HB2' ' C ' ' A' ' 587' ' ' ARG . 5.9 m-85 -106.13 174.25 2.71 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 1.0 111.015 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 585' ' ' PRO . . . . . 0.798 ' HA ' HD11 ' A' ' 560' ' ' ILE . 18.6 Cg_endo -74.97 0.42 8.91 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.498 1.789 . . . . 1.0 111.02 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 586' ' ' ASN . . . . . 0.773 ' O ' HG22 ' A' ' 602' ' ' THR . 5.7 m120 -165.12 -41.56 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.428 1.08 . . . . 1.0 109.314 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 587' ' ' ARG . . . . . 0.551 ' C ' ' HB2' ' A' ' 584' ' ' PHE . 2.9 mtp180 -88.51 -168.78 2.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 1.0 110.335 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 588' ' ' LEU . . . . . 0.623 HD12 ' C ' ' A' ' 588' ' ' LEU . 0.1 OUTLIER -178.98 106.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 1.0 109.379 179.931 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 589' ' ' GLU . . . . . 0.552 ' HG3' HD23 ' A' ' 600' ' ' LEU . 2.0 mt-10 -86.71 143.73 27.43 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.552 1.157 . . . . 1.0 110.274 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 590' ' ' TRP . . . . . 0.556 ' CD1' ' O ' ' A' ' 599' ' ' SER . 1.6 p-90 -150.28 84.62 1.38 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 1.0 107.994 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -122.93 -175.69 3.23 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.454 1.096 . . . . 1.0 110.27 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . 153.63 -133.3 3.91 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.477 1.11 . . . . 1.0 110.922 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -78.55 173.49 12.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.43 0.723 . . . . 1.0 110.26 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . 82.72 -130.92 10.0 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.437 1.086 . . . . 1.0 111.043 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 595' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -176.05 162.52 2.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 0.739 . . . . 1.0 110.257 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . -176.6 155.9 1.38 Allowed Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.479 1.112 . . . . 1.0 109.264 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 597' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -35.01 3.36 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.512 1.796 . . . . 1.0 111.087 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 598' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -155.56 146.36 22.25 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.512 1.133 . . . . 1.0 110.222 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 599' ' ' SER . . . . . 0.556 ' O ' ' CD1' ' A' ' 590' ' ' TRP . 13.6 p -155.46 47.7 0.52 Allowed 'General case' 0 C--N 1.327 -0.397 0 O-C-N 124.432 1.083 . . . . 1.0 109.958 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 600' ' ' LEU . . . . . 0.63 ' C ' HD13 ' A' ' 600' ' ' LEU . 2.6 tm? -138.74 101.51 4.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.391 1.057 . . . . 1.0 109.32 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 601' ' ' LEU . . . . . 0.484 ' CD2' ' OE2' ' A' ' 605' ' ' GLU . 3.3 tp -112.38 178.92 4.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.632 1.208 . . . . 1.0 109.31 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 602' ' ' THR . . . . . 0.773 HG22 ' O ' ' A' ' 586' ' ' ASN . 0.0 OUTLIER -109.92 -163.46 0.86 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 1.0 110.365 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 603' ' ' MET . . . . . 0.722 ' HE1' ' O ' ' A' ' 585' ' ' PRO . 0.0 OUTLIER -129.4 36.38 4.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 1.0 111.055 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -124.91 56.91 1.3 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.509 1.13 . . . . 1.0 110.289 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 605' ' ' GLU . . . . . 0.495 ' O ' ' C ' ' A' ' 606' ' ' ILE . 3.4 pt-20 -159.27 -53.71 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 1.0 110.34 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 606' ' ' ILE . . . . . 1.273 HG21 ' CD2' ' A' ' 651' ' ' TYR . 0.9 OUTLIER -33.05 136.43 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 1.0 109.296 179.925 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 607' ' ' GLN . . . . . 0.551 ' HG2' ' CB ' ' A' ' 625' ' ' ARG . 0.0 OUTLIER -87.7 -41.45 13.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 1.0 110.312 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 608' ' ' SER . . . . . 0.468 ' OG ' ' O ' ' A' ' 607' ' ' GLN . 6.8 m -171.68 135.72 0.9 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 1.0 110.02 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 609' ' ' VAL . . . . . 0.955 HG22 ' CD ' ' A' ' 644' ' ' LYS . 2.7 p -107.64 139.32 29.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 O-C-N 124.528 1.142 . . . . 1.0 109.306 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 610' ' ' GLU . . . . . 0.827 ' HG3' HD23 ' A' ' 621' ' ' LEU . 0.2 OUTLIER -158.96 -166.69 1.91 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.371 1.045 . . . . 1.0 110.303 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 611' ' ' GLU . . . . . 0.607 ' HA ' ' HA ' ' A' ' 620' ' ' LEU . 24.9 tt0 -140.44 148.36 41.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 1.0 110.306 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 612' ' ' THR . . . . . 0.818 HG23 ' HG3' ' A' ' 618' ' ' LYS . 0.0 OUTLIER -114.01 164.26 14.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 1.0 110.368 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 7.4 mp0 -128.97 161.67 29.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 1.0 110.248 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 614' ' ' ILE . . . . . 0.795 HG22 ' O ' ' A' ' 614' ' ' ILE . 0.2 OUTLIER -146.63 84.0 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.56 1.163 . . . . 1.0 109.335 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 615' ' ' LYS . . . . . 0.426 ' HB3' ' O ' ' A' ' 614' ' ' ILE . 20.2 ttpt 82.22 -33.89 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 1.0 109.376 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 616' ' ' GLU . . . . . 0.437 ' H ' ' C ' ' A' ' 614' ' ' ILE . 3.1 tt0 -157.09 -46.95 0.07 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.448 1.092 . . . . 1.0 110.299 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 617' ' ' ARG . . . . . 0.518 ' CZ ' ' OD1' ' A' ' 637' ' ' ASP . 1.7 ttm180 -156.39 138.19 14.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.432 1.082 . . . . 1.0 110.328 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 618' ' ' LYS . . . . . 0.818 ' HG3' HG23 ' A' ' 612' ' ' THR . 9.1 tptt -117.8 -98.47 0.45 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 1.0 109.284 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 619' ' ' CYS . . . . . 0.472 ' O ' ' CG ' ' A' ' 611' ' ' GLU . 16.2 m -157.45 -172.68 4.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 1.0 108.295 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 620' ' ' LEU . . . . . 1.057 ' CD1' HD12 ' A' ' 640' ' ' LEU . 0.1 OUTLIER -99.91 140.94 33.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 1.0 109.293 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 621' ' ' LEU . . . . . 0.827 HD23 ' HG3' ' A' ' 610' ' ' GLU . 4.9 tp -94.64 158.37 15.55 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.605 1.191 . . . . 1.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 622' ' ' LEU . . . . . 0.872 HD12 HD21 ' A' ' 632' ' ' LEU . 0.9 OUTLIER -160.11 86.15 0.75 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 1.0 109.341 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 623' ' ' LYS . . . . . 0.452 ' HD3' ' HB2' ' A' ' 608' ' ' SER . 0.0 OUTLIER -93.2 136.78 33.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.383 1.052 . . . . 1.0 109.351 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 624' ' ' ILE . . . . . 0.958 HG22 ' H ' ' A' ' 626' ' ' GLY . 79.2 mt -101.58 144.75 12.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.148 . . . . 1.0 109.313 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 625' ' ' ARG . . . . . 0.551 ' CB ' ' HG2' ' A' ' 607' ' ' GLN . 16.7 ptt180 -80.51 3.09 22.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 1.0 110.299 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 626' ' ' GLY . . . . . 0.958 ' H ' HG22 ' A' ' 624' ' ' ILE . . . -87.92 -22.15 43.47 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.544 1.153 . . . . 1.0 111.002 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 118.33 38.68 0.78 Allowed Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.055 -0.818 . . . . 1.0 111.055 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 628' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -141.97 167.72 21.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 0.779 . . . . 1.0 109.228 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -139.35 150.06 44.9 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.503 1.127 . . . . 1.0 110.262 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 630' ' ' PHE . . . . . 0.511 ' CG ' ' HE2' ' A' ' 567' ' ' LYS . 1.1 m-85 -142.62 158.19 43.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 1.0 110.975 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 631' ' ' ILE . . . . . 0.537 HG22 ' O ' ' A' ' 631' ' ' ILE . 0.1 OUTLIER -140.68 108.2 2.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 1.0 109.33 179.925 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 632' ' ' LEU . . . . . 0.872 HD21 HD12 ' A' ' 622' ' ' LEU . 0.4 OUTLIER -83.46 152.28 25.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 1.0 109.302 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 633' ' ' GLN . . . . . 0.464 ' HG3' ' HG ' ' A' ' 566' ' ' SER . 1.7 pp0? -153.26 117.98 5.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.402 1.064 . . . . 1.0 110.254 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 634' ' ' CYS . . . . . 0.506 ' SG ' ' HA ' ' A' ' 565' ' ' MET . 5.7 t -124.31 169.75 11.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.384 1.052 . . . . 1.0 108.349 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 635' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -87.17 -18.38 30.5 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.118 . . . . 1.0 109.346 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 636' ' ' SER . . . . . 0.551 ' HB2' ' HB2' ' A' ' 639' ' ' GLU . 2.4 m -94.85 152.26 18.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 1.0 110.0 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 637' ' ' ASP . . . . . 0.711 ' N ' ' CD ' ' A' ' 638' ' ' PRO . 0.4 OUTLIER -90.07 -39.89 0.41 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 1.0 109.304 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 638' ' ' PRO . . . . . 0.711 ' CD ' ' N ' ' A' ' 637' ' ' ASP . 17.8 Cg_endo -75.11 -55.88 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.48 1.779 . . . . 1.0 110.989 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 639' ' ' GLU . . . . . 0.573 ' C ' ' O ' ' A' ' 638' ' ' PRO . 46.9 mm-40 -24.28 -80.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 1.0 110.292 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 640' ' ' LEU . . . . . 1.057 HD12 ' CD1' ' A' ' 620' ' ' LEU . 0.2 OUTLIER -49.21 -46.29 45.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.146 . . . . 1.0 109.293 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 641' ' ' VAL . . . . . 0.63 HG12 ' N ' ' A' ' 642' ' ' GLN . 0.8 OUTLIER -46.05 -58.66 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 1.0 109.228 -179.927 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 642' ' ' GLN . . . . . 0.63 ' N ' HG12 ' A' ' 641' ' ' VAL . 1.2 mm-40 -62.98 -39.51 94.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 1.0 110.297 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 643' ' ' TRP . . . . . 0.7 ' CZ3' ' HB2' ' A' ' 583' ' ' LEU . 18.9 m95 -56.2 -41.79 76.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 1.0 108.047 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 644' ' ' LYS . . . . . 0.955 ' CD ' HG22 ' A' ' 609' ' ' VAL . 0.0 OUTLIER -58.16 -54.71 43.86 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.405 1.065 . . . . 1.0 109.258 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 1.4 tmtt? -44.26 -54.42 5.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 1.0 109.291 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 646' ' ' GLU . . . . . 0.63 ' CB ' HD23 ' A' ' 583' ' ' LEU . 0.1 OUTLIER -70.85 -29.0 65.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 1.0 110.341 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 647' ' ' LEU . . . . . 0.564 ' HB2' ' HA ' ' A' ' 644' ' ' LYS . 0.9 OUTLIER -70.78 -62.57 1.34 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.085 . . . . 1.0 109.253 -179.917 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 648' ' ' ARG . . . . . 0.53 ' N ' ' O ' ' A' ' 644' ' ' LYS . 0.4 OUTLIER -40.23 -50.59 2.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 1.0 110.281 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 649' ' ' ASP . . . . . 0.42 ' O ' ' N ' ' A' ' 653' ' ' GLU . 42.5 t0 -62.93 -50.0 72.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.153 . . . . 1.0 109.348 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 650' ' ' ALA . . . . . 0.564 ' HB1' ' SD ' ' A' ' 603' ' ' MET . . . -46.04 -49.43 16.26 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.536 1.148 . . . . 1.0 109.242 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 651' ' ' TYR . . . . . 1.273 ' CD2' HG21 ' A' ' 606' ' ' ILE . 16.0 m-30 -73.37 -42.7 61.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.615 1.197 . . . . 1.0 110.995 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 652' ' ' ARG . . . . . 0.489 ' O ' ' HB2' ' A' ' 655' ' ' GLN . 70.3 mtp180 -60.07 -63.0 1.45 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.566 1.166 . . . . 1.0 110.314 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 653' ' ' GLU . . . . . 0.65 ' O ' HD13 ' A' ' 657' ' ' LEU . 4.6 mt-10 -43.48 -51.35 6.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 1.0 110.296 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -50.52 -36.13 32.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 1.0 109.227 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 655' ' ' GLN . . . . . 0.704 ' HA ' HG12 ' A' ' 658' ' ' VAL . 63.5 mt-30 -71.56 -66.63 0.6 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.514 1.134 . . . . 1.0 110.278 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 656' ' ' GLN . . . . . 0.543 ' CG ' ' HA ' ' A' ' 653' ' ' GLU . 3.2 pt20 -51.46 -22.34 3.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 1.0 110.299 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 657' ' ' LEU . . . . . 0.65 HD13 ' O ' ' A' ' 653' ' ' GLU . 8.8 mp -87.28 -24.85 24.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 1.0 109.321 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 658' ' ' VAL . . . . . 0.704 HG12 ' HA ' ' A' ' 655' ' ' GLN . 2.6 p -109.18 14.63 8.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 1.0 109.311 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 659' ' ' GLN . . . . . 0.435 ' N ' ' O ' ' A' ' 655' ' ' GLN . 0.0 OUTLIER -86.05 46.61 1.35 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 1.0 110.301 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 660' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -87.6 15.06 7.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.101 . . . . 1.0 110.294 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 661' ' ' VAL . . . . . . . . . . . . . 11.2 p -56.0 122.08 45.11 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.506 1.129 . . . . 1.0 109.28 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 662' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 177.92 7.96 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.553 1.817 . . . . 1.0 110.955 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.54 87.92 0.33 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 1.0 109.325 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 664' ' ' MET . . . . . . . . . . . . . 1.5 tpt -176.54 111.86 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 1.0 111.008 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 22.2 tptm 72.11 -66.35 0.31 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.568 1.168 . . . . 1.0 109.25 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 666' ' ' ASN . . . . . . . . . . . . . 21.0 m-80 70.73 -60.75 0.49 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 1.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 13.4 tptt 68.55 79.05 0.22 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.542 1.151 . . . . 1.0 109.347 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 668' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.16 56.51 4.36 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.503 1.791 . . . . 1.0 110.933 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -133.84 85.9 2.24 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.485 1.115 . . . . 1.0 110.192 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.126 0 CA-C-O 116.952 -1.499 . . . . 1.0 110.017 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 111.052 -0.819 . . . . 1.0 111.052 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 553' ' ' SER . . . . . . . . . . . . . 5.3 t -178.14 144.32 0.32 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 0.78 . . . . 1.0 109.957 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 554' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 68.83 149.47 0.07 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 1.0 109.621 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 555' ' ' MET . . . . . . . . . . . . . 5.6 ptp -88.0 157.78 18.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 1.0 111.094 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . -85.25 -174.73 50.3 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.447 1.092 . . . . 1.0 111.021 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 25.6 tttt -146.18 63.92 1.22 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.572 0.807 . . . . 1.0 109.262 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 558' ' ' ASP . . . . . 0.543 ' O ' ' HG3' ' A' ' 585' ' ' PRO . 0.7 OUTLIER -155.11 106.65 2.63 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.456 1.098 . . . . 1.0 109.323 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 559' ' ' CYS . . . . . . . . . . . . . 24.2 t -69.8 141.79 53.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 1.0 108.34 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 560' ' ' ILE . . . . . 0.761 HD11 ' HA ' ' A' ' 585' ' ' PRO . 12.5 mt -87.32 -55.72 6.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.49 1.119 . . . . 1.0 109.364 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 561' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.15 153.36 41.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.587 1.18 . . . . 1.0 111.046 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 562' ' ' HIS . . . . . . . . . . . . . 14.1 p-80 -151.61 169.81 21.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.086 . . . . 1.0 109.636 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 563' ' ' GLY . . . . . 0.474 ' O ' ' CD1' ' A' ' 580' ' ' TYR . . . 138.31 -158.26 24.8 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.491 1.12 . . . . 1.0 111.019 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 564' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -92.57 127.07 37.93 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.403 0.708 . . . . 1.0 111.041 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 565' ' ' MET . . . . . 0.661 ' O ' ' O ' ' A' ' 579' ' ' ARG . 0.0 OUTLIER -145.67 133.98 21.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.1 . . . . 1.0 111.022 -179.909 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 566' ' ' SER . . . . . 0.435 ' HB2' ' HA ' ' A' ' 578' ' ' ARG . 0.4 OUTLIER -102.39 138.98 38.6 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.54 1.15 . . . . 1.0 109.992 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 567' ' ' LYS . . . . . 0.551 ' HB3' ' CZ ' ' A' ' 581' ' ' PHE . 0.1 OUTLIER -160.32 140.86 11.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.58 1.175 . . . . 1.0 109.283 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 568' ' ' MET . . . . . 0.479 ' N ' ' HG2' ' A' ' 567' ' ' LYS . 0.0 OUTLIER -154.66 175.2 13.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.433 1.083 . . . . 1.0 110.945 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 569' ' ' GLY . . . . . 0.404 ' C ' ' CG ' ' A' ' 570' ' ' ASN . . . -179.47 120.26 0.68 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.499 1.124 . . . . 1.0 110.977 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 570' ' ' ASN . . . . . 0.569 ' CB ' ' CD ' ' A' ' 571' ' ' PRO . 0.0 OUTLIER -166.1 -178.04 0.67 Allowed Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.571 0.806 . . . . 1.0 109.254 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 571' ' ' PRO . . . . . 0.569 ' CD ' ' CB ' ' A' ' 570' ' ' ASN . 18.5 Cg_endo -74.99 12.16 1.28 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.424 1.749 . . . . 1.0 111.021 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 572' ' ' PHE . . . . . 0.525 ' CE2' ' HG2' ' A' ' 571' ' ' PRO . 15.4 m-85 -139.73 87.51 2.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 1.0 110.978 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.3 86.95 7.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 1.0 109.338 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 574' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -158.33 -29.15 0.08 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.447 1.092 . . . . 1.0 110.354 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 575' ' ' GLN . . . . . 0.467 ' O ' ' CD1' ' A' ' 576' ' ' TRP . 11.6 pt20 -94.54 152.95 18.14 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.611 1.194 . . . . 1.0 110.271 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 576' ' ' TRP . . . . . 0.467 ' CD1' ' O ' ' A' ' 575' ' ' GLN . 4.6 m0 -139.95 136.26 33.64 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.039 -1.097 . . . . 1.0 108.039 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 577' ' ' GLN . . . . . 0.405 ' O ' ' HB2' ' A' ' 566' ' ' SER . 1.1 tt0 -124.6 127.6 47.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 1.0 110.291 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 578' ' ' ARG . . . . . 0.435 ' HA ' ' HB2' ' A' ' 566' ' ' SER . 1.5 mpt_? -90.89 118.16 30.07 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.451 1.094 . . . . 1.0 110.231 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 579' ' ' ARG . . . . . 0.661 ' O ' ' O ' ' A' ' 565' ' ' MET . 3.0 mmm-85 -135.53 166.17 23.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 1.0 110.26 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 580' ' ' TYR . . . . . 0.474 ' CD1' ' O ' ' A' ' 563' ' ' GLY . 0.4 OUTLIER -87.58 122.64 31.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 1.0 111.031 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 581' ' ' PHE . . . . . 0.606 ' CE1' ' CB ' ' A' ' 590' ' ' TRP . 8.8 m-85 -116.0 157.56 24.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 1.0 110.951 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 582' ' ' TYR . . . . . 0.726 ' O ' ' CD1' ' A' ' 582' ' ' TYR . 0.2 OUTLIER -142.95 124.16 14.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 1.0 110.998 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 583' ' ' LEU . . . . . 0.807 ' HB2' ' CZ3' ' A' ' 643' ' ' TRP . 6.5 tp -97.48 127.72 43.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.161 . . . . 1.0 109.282 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 584' ' ' PHE . . . . . 0.622 ' O ' HD12 ' A' ' 560' ' ' ILE . 0.3 OUTLIER -115.09 176.95 1.3 Allowed Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.46 1.1 . . . . 1.0 110.954 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 585' ' ' PRO . . . . . 0.761 ' HA ' HD11 ' A' ' 560' ' ' ILE . 18.1 Cg_endo -75.04 0.77 8.52 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.506 1.792 . . . . 1.0 111.011 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 586' ' ' ASN . . . . . 0.698 ' HA ' ' CG ' ' A' ' 603' ' ' MET . 1.1 m120 -166.67 -41.81 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.517 1.136 . . . . 1.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 587' ' ' ARG . . . . . 0.497 ' HA ' ' HA ' ' A' ' 602' ' ' THR . 6.3 mtp180 -87.32 179.52 6.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 1.0 110.3 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 588' ' ' LEU . . . . . 0.518 HD12 ' N ' ' A' ' 589' ' ' GLU . 0.1 OUTLIER 168.49 125.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.643 1.214 . . . . 1.0 109.266 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 589' ' ' GLU . . . . . 0.518 ' N ' HD12 ' A' ' 588' ' ' LEU . 0.6 OUTLIER -145.41 174.92 10.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 1.0 110.233 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 590' ' ' TRP . . . . . 0.606 ' CB ' ' CE1' ' A' ' 581' ' ' PHE . 11.8 p-90 -138.7 143.75 39.26 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.061 -1.089 . . . . 1.0 108.061 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 4.5 mtt180 -144.54 169.44 17.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.429 1.081 . . . . 1.0 110.315 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . 161.34 -163.03 34.24 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.57 1.169 . . . . 1.0 110.963 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -73.61 173.97 8.98 Favored 'General case' 0 C--N 1.327 -0.371 0 O-C-N 124.381 0.695 . . . . 1.0 110.25 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . 97.53 -124.07 8.03 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.481 1.113 . . . . 1.0 111.043 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 595' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -171.53 153.83 3.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.639 0.847 . . . . 1.0 110.24 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . -177.6 158.24 1.26 Allowed Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.472 1.107 . . . . 1.0 109.358 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 597' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -89.09 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.517 1.798 . . . . 1.0 111.005 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 598' ' ' GLN . . . . . . . . . . . . . 8.1 mp0 -138.67 129.56 26.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 1.0 110.279 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 599' ' ' SER . . . . . 0.509 ' O ' ' HB2' ' A' ' 589' ' ' GLU . 32.0 p -140.22 65.76 1.41 Allowed 'General case' 0 C--N 1.327 -0.384 0 O-C-N 124.469 1.106 . . . . 1.0 109.967 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 600' ' ' LEU . . . . . 0.487 ' HA ' ' HB2' ' A' ' 589' ' ' GLU . 0.1 OUTLIER -136.69 90.82 2.58 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.387 1.054 . . . . 1.0 109.292 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -107.43 -174.83 2.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 1.0 109.297 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 602' ' ' THR . . . . . 0.678 HG22 ' O ' ' A' ' 586' ' ' ASN . 0.0 OUTLIER -105.72 -159.35 0.7 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 1.0 110.375 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 603' ' ' MET . . . . . 1.014 ' HE3' ' HB2' ' A' ' 654' ' ' ALA . 0.0 OUTLIER -128.38 33.99 4.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.546 1.154 . . . . 1.0 111.005 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 604' ' ' GLU . . . . . 0.917 ' HB3' ' HB1' ' A' ' 654' ' ' ALA . 9.9 pt-20 -125.49 61.45 1.22 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 1.0 110.313 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 605' ' ' GLU . . . . . 0.458 ' O ' ' C ' ' A' ' 606' ' ' ILE . 2.7 pt-20 -159.09 -49.45 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 1.0 110.284 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 606' ' ' ILE . . . . . 1.193 HG21 ' CD2' ' A' ' 651' ' ' TYR . 1.2 mp -36.25 139.77 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.127 . . . . 1.0 109.258 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 607' ' ' GLN . . . . . 0.563 ' CG ' ' CB ' ' A' ' 625' ' ' ARG . 0.0 OUTLIER -95.96 -35.44 11.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 1.0 110.301 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 1.3 m -172.59 135.38 0.68 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 1.0 109.995 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 609' ' ' VAL . . . . . 0.887 HG22 ' CD ' ' A' ' 644' ' ' LYS . 3.7 p -107.73 140.6 25.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.15 . . . . 1.0 109.304 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 610' ' ' GLU . . . . . 0.755 ' HG3' HD23 ' A' ' 621' ' ' LEU . 0.1 OUTLIER -156.99 -166.26 2.04 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.408 1.067 . . . . 1.0 110.255 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 611' ' ' GLU . . . . . 0.554 ' HA ' ' HA ' ' A' ' 620' ' ' LEU . 19.2 tt0 -145.39 143.18 29.95 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.34 1.025 . . . . 1.0 110.363 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 612' ' ' THR . . . . . 0.766 HG23 ' HG3' ' A' ' 618' ' ' LYS . 0.0 OUTLIER -103.83 165.86 10.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.44 1.087 . . . . 1.0 110.412 179.905 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -132.03 161.29 33.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.374 1.046 . . . . 1.0 110.294 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 614' ' ' ILE . . . . . 0.79 HG22 ' O ' ' A' ' 614' ' ' ILE . 0.2 OUTLIER -145.98 84.94 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.123 . . . . 1.0 109.291 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 615' ' ' LYS . . . . . 0.43 ' HB2' ' O ' ' A' ' 614' ' ' ILE . 37.6 mmtt 82.07 -34.19 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 1.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 616' ' ' GLU . . . . . 0.43 ' H ' ' C ' ' A' ' 614' ' ' ILE . 3.8 tt0 -155.66 -49.42 0.08 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.556 1.16 . . . . 1.0 110.284 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 10.0 ttt85 -155.35 139.42 16.45 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 1.0 110.295 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 618' ' ' LYS . . . . . 0.766 ' HG3' HG23 ' A' ' 612' ' ' THR . 10.6 tptt -118.46 -96.71 0.47 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.567 1.167 . . . . 1.0 109.279 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 619' ' ' CYS . . . . . 0.51 ' O ' ' CG ' ' A' ' 611' ' ' GLU . 14.7 m -157.86 -176.91 6.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 1.0 108.208 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 620' ' ' LEU . . . . . 1.069 ' CD1' HD12 ' A' ' 640' ' ' LEU . 0.2 OUTLIER -95.93 150.5 20.37 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.515 1.135 . . . . 1.0 109.308 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 621' ' ' LEU . . . . . 0.755 HD23 ' HG3' ' A' ' 610' ' ' GLU . 0.4 OUTLIER -110.73 160.17 16.95 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.569 1.168 . . . . 1.0 109.265 -179.941 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 622' ' ' LEU . . . . . 0.911 ' CD1' HD11 ' A' ' 632' ' ' LEU . 9.0 mt -154.71 85.44 1.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 1.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 623' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.69 137.46 32.81 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 1.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 624' ' ' ILE . . . . . 0.92 HG22 ' H ' ' A' ' 626' ' ' GLY . 67.1 mt -105.92 145.77 13.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 1.0 109.299 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 625' ' ' ARG . . . . . 0.563 ' CB ' ' CG ' ' A' ' 607' ' ' GLN . 13.6 ptt180 -77.46 2.23 16.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 1.0 110.289 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 626' ' ' GLY . . . . . 0.92 ' H ' HG22 ' A' ' 624' ' ' ILE . . . -90.15 -19.49 46.15 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.469 1.105 . . . . 1.0 110.981 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 112.68 41.08 1.05 Allowed Glycine 0 CA--C 1.53 1.002 0 N-CA-C 110.991 -0.844 . . . . 1.0 110.991 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 628' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.89 169.96 16.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 0.782 . . . . 1.0 109.34 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 9.2 mp0 -141.46 147.48 37.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.145 . . . . 1.0 110.349 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 630' ' ' PHE . . . . . 0.506 ' CD1' ' HE2' ' A' ' 567' ' ' LYS . 0.6 OUTLIER -133.35 150.0 51.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.529 1.143 . . . . 1.0 110.868 -179.917 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 631' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -128.37 121.8 56.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 1.0 109.343 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 632' ' ' LEU . . . . . 0.911 HD11 ' CD1' ' A' ' 622' ' ' LEU . 0.9 OUTLIER -105.75 154.99 19.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 1.0 109.329 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 633' ' ' GLN . . . . . 0.458 ' HB2' ' SG ' ' A' ' 619' ' ' CYS . 64.1 tt0 -155.48 134.83 12.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.58 1.175 . . . . 1.0 110.29 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 634' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -143.06 155.18 44.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.107 . . . . 1.0 108.307 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 635' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -78.81 -19.73 51.41 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.532 1.145 . . . . 1.0 109.246 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 636' ' ' SER . . . . . 0.515 ' HB2' ' CG ' ' A' ' 639' ' ' GLU . 0.8 OUTLIER -96.4 146.29 24.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.589 1.18 . . . . 1.0 110.021 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 637' ' ' ASP . . . . . 0.723 ' N ' ' CD ' ' A' ' 638' ' ' PRO . 0.5 OUTLIER -79.14 -38.25 1.31 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.088 . . . . 1.0 109.31 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 638' ' ' PRO . . . . . 0.723 ' CD ' ' N ' ' A' ' 637' ' ' ASP . 18.3 Cg_endo -74.97 -61.54 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.403 1.738 . . . . 1.0 110.983 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 639' ' ' GLU . . . . . 0.599 ' C ' ' O ' ' A' ' 638' ' ' PRO . 72.6 mm-40 -21.38 -80.07 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.507 1.129 . . . . 1.0 110.308 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 640' ' ' LEU . . . . . 1.069 HD12 ' CD1' ' A' ' 620' ' ' LEU . 0.2 OUTLIER -50.2 -50.71 48.62 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 1.0 109.253 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 641' ' ' VAL . . . . . 0.585 HG12 ' N ' ' A' ' 642' ' ' GLN . 1.1 t -43.24 -59.88 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 1.0 109.243 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 642' ' ' GLN . . . . . 0.585 ' N ' HG12 ' A' ' 641' ' ' VAL . 0.0 OUTLIER -58.91 -40.65 85.15 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.541 1.151 . . . . 1.0 110.292 -179.923 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 643' ' ' TRP . . . . . 0.807 ' CZ3' ' HB2' ' A' ' 583' ' ' LEU . 15.3 m95 -51.76 -50.3 60.95 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 107.979 -1.119 . . . . 1.0 107.979 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 644' ' ' LYS . . . . . 0.887 ' CD ' HG22 ' A' ' 609' ' ' VAL . 0.3 OUTLIER -52.63 -60.14 3.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 1.0 109.256 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 645' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 644' ' ' LYS . 0.0 OUTLIER -38.61 -49.25 1.52 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.608 1.193 . . . . 1.0 109.236 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 646' ' ' GLU . . . . . 0.604 ' CB ' HD23 ' A' ' 583' ' ' LEU . 1.8 mt-10 -73.38 -37.39 66.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 1.0 110.333 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 647' ' ' LEU . . . . . 0.585 HD12 ' C ' ' A' ' 643' ' ' TRP . 0.4 OUTLIER -67.45 -62.77 1.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.103 . . . . 1.0 109.198 -179.874 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 648' ' ' ARG . . . . . 0.559 ' N ' ' O ' ' A' ' 644' ' ' LYS . 0.1 OUTLIER -39.12 -50.64 1.88 Allowed 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.478 1.111 . . . . 1.0 110.288 -179.932 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 649' ' ' ASP . . . . . 0.54 ' HA ' ' CD ' ' A' ' 652' ' ' ARG . 13.6 t70 -65.95 -55.15 18.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 1.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 650' ' ' ALA . . . . . 0.635 ' HB1' ' SD ' ' A' ' 603' ' ' MET . . . -37.67 -40.16 0.39 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.649 1.218 . . . . 1.0 109.453 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 651' ' ' TYR . . . . . 1.193 ' CD2' HG21 ' A' ' 606' ' ' ILE . 14.6 m-30 -80.24 -40.71 26.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 1.0 110.986 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 652' ' ' ARG . . . . . 0.54 ' CD ' ' HA ' ' A' ' 649' ' ' ASP . 0.1 OUTLIER -69.63 -35.16 74.98 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.559 1.162 . . . . 1.0 110.259 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 653' ' ' GLU . . . . . 0.512 ' O ' ' CG ' ' A' ' 656' ' ' GLN . 0.9 OUTLIER -70.99 -35.7 72.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 1.0 110.322 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 654' ' ' ALA . . . . . 1.014 ' HB2' ' HE3' ' A' ' 603' ' ' MET . . . -78.73 -53.54 7.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 1.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 655' ' ' GLN . . . . . 0.547 ' HG3' ' N ' ' A' ' 656' ' ' GLN . 2.8 pt20 -46.13 -48.34 17.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 1.0 110.352 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 656' ' ' GLN . . . . . 0.547 ' N ' ' HG3' ' A' ' 655' ' ' GLN . 1.5 pt20 -53.98 -18.97 4.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 1.0 110.292 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 657' ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' A' ' 653' ' ' GLU . 5.3 mt -86.43 -33.68 20.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 1.0 109.286 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 658' ' ' VAL . . . . . 0.478 HG11 ' NH2' ' A' ' 625' ' ' ARG . 0.5 OUTLIER -104.0 16.88 5.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.59 1.181 . . . . 1.0 109.176 -179.937 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 659' ' ' GLN . . . . . 0.421 ' N ' ' O ' ' A' ' 655' ' ' GLN . 1.4 mt-30 -82.17 50.53 1.6 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.565 1.166 . . . . 1.0 110.287 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 660' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.48 15.15 9.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 1.0 110.265 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 661' ' ' VAL . . . . . 0.431 ' H ' HG13 ' A' ' 661' ' ' VAL . 4.0 m -43.29 154.16 0.33 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.162 . . . . 1.0 109.252 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 662' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 173.13 15.04 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.432 1.754 . . . . 1.0 111.038 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 663' ' ' LYS . . . . . 0.494 ' O ' ' CG ' ' A' ' 664' ' ' MET . 0.0 OUTLIER -74.94 -39.62 61.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 1.0 109.316 -179.931 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 664' ' ' MET . . . . . 0.494 ' CG ' ' O ' ' A' ' 663' ' ' LYS . 1.6 mtm -176.74 -175.35 0.62 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 1.0 110.978 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 75.17 -69.78 0.17 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 1.0 109.317 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 666' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -77.28 66.24 3.01 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.51 1.131 . . . . 1.0 109.22 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 11.1 tptt -131.5 131.81 23.12 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 1.0 109.294 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 668' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -38.0 1.79 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.54 1.811 . . . . 1.0 111.034 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 6.8 ttt180 -174.25 168.18 4.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 1.0 110.316 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 87.8 p . . . . . 0 C--O 1.249 1.071 0 CA-C-O 117.039 -1.457 . . . . 1.0 109.987 -179.952 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.065 0 N-CA-C 111.016 -0.834 . . . . 1.0 111.016 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 553' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -176.95 169.25 2.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 0.765 . . . . 1.0 109.955 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 554' ' ' HIS . . . . . . . . . . . . . 36.4 p-80 -172.87 74.19 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.434 1.084 . . . . 1.0 109.588 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 555' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -159.43 146.23 16.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 1.0 110.969 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . -133.17 -176.81 14.57 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.521 1.138 . . . . 1.0 110.995 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 30.1 tttt -145.07 63.84 1.28 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.436 0.727 . . . . 1.0 109.355 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 558' ' ' ASP . . . . . 0.693 ' O ' ' CZ ' ' A' ' 584' ' ' PHE . 7.2 m-20 -113.08 -99.04 0.43 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 1.0 109.267 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 559' ' ' CYS . . . . . . . . . . . . . 8.3 t -155.04 146.88 23.42 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.115 . . . . 1.0 108.257 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 560' ' ' ILE . . . . . 0.951 HD11 ' HA ' ' A' ' 585' ' ' PRO . 10.6 mt -96.54 -52.75 8.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 1.0 109.258 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 561' ' ' MET . . . . . 0.485 ' CE ' ' OE2' ' A' ' 646' ' ' GLU . 0.4 OUTLIER -150.3 154.45 37.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.394 1.059 . . . . 1.0 111.018 -179.909 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 562' ' ' HIS . . . . . . . . . . . . . 4.3 p80 -147.51 155.84 42.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 1.0 109.637 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 563' ' ' GLY . . . . . 0.461 ' N ' ' HZ2' ' A' ' 643' ' ' TRP . . . 168.03 -168.64 40.91 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.456 1.097 . . . . 1.0 111.012 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 564' ' ' TYR . . . . . 0.465 ' O ' ' SG ' ' A' ' 634' ' ' CYS . 0.3 OUTLIER -94.72 124.17 38.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 0.776 . . . . 1.0 111.11 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 565' ' ' MET . . . . . 0.537 ' O ' ' O ' ' A' ' 579' ' ' ARG . 5.4 mtm -143.92 151.44 39.8 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.516 1.135 . . . . 1.0 111.027 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.72 148.43 44.63 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.464 1.103 . . . . 1.0 109.929 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 567' ' ' LYS . . . . . 0.603 ' HA ' ' HA ' ' A' ' 632' ' ' LEU . 35.5 ttpt -103.61 156.1 18.04 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.561 1.163 . . . . 1.0 109.306 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 568' ' ' MET . . . . . 0.734 ' HA ' HD11 ' A' ' 573' ' ' LEU . 15.2 mtt -140.62 175.62 9.46 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.375 1.047 . . . . 1.0 111.11 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 569' ' ' GLY . . . . . 0.456 ' HA2' HG22 ' A' ' 631' ' ' ILE . . . -143.97 -69.62 0.02 OUTLIER Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.531 1.144 . . . . 1.0 110.981 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 570' ' ' ASN . . . . . 0.598 ' CB ' ' CD ' ' A' ' 571' ' ' PRO . 0.0 OUTLIER -116.03 -176.82 0.4 Allowed Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.543 0.79 . . . . 1.0 109.354 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 571' ' ' PRO . . . . . 0.598 ' CD ' ' CB ' ' A' ' 570' ' ' ASN . 18.4 Cg_endo -75.0 9.02 2.16 Favored 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.461 1.769 . . . . 1.0 110.964 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 572' ' ' PHE . . . . . 0.481 ' CZ ' ' HG2' ' A' ' 571' ' ' PRO . 2.5 m-85 -129.25 84.22 2.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.604 1.19 . . . . 1.0 111.038 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 573' ' ' LEU . . . . . 0.734 HD11 ' HA ' ' A' ' 568' ' ' MET . 0.2 OUTLIER -86.7 95.09 9.68 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 1.0 109.324 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 574' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -117.55 -8.45 10.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 1.0 110.384 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 575' ' ' GLN . . . . . 0.535 ' O ' ' CD2' ' A' ' 576' ' ' TRP . 15.6 pt20 -130.72 43.05 3.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.164 . . . . 1.0 110.334 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 576' ' ' TRP . . . . . 0.535 ' CD2' ' O ' ' A' ' 575' ' ' GLN . 65.5 m95 -155.34 156.82 36.13 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 107.951 -1.129 . . . . 1.0 107.951 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -157.56 -170.33 3.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 1.0 110.33 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 578' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -82.32 109.18 16.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.423 1.077 . . . . 1.0 110.262 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 579' ' ' ARG . . . . . 0.537 ' O ' ' O ' ' A' ' 565' ' ' MET . 13.6 mtp85 -118.39 163.63 16.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 1.0 110.32 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 580' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -87.65 120.73 29.26 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.14 . . . . 1.0 111.036 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 581' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -108.04 161.23 15.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.137 . . . . 1.0 110.974 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 582' ' ' TYR . . . . . 0.416 ' O ' ' HA ' ' A' ' 588' ' ' LEU . 14.8 m-85 -147.53 110.23 4.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.411 1.069 . . . . 1.0 110.985 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 583' ' ' LEU . . . . . 0.856 ' O ' HD23 ' A' ' 583' ' ' LEU . 0.5 OUTLIER -89.32 113.74 25.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 1.0 109.304 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 584' ' ' PHE . . . . . 0.693 ' CZ ' ' O ' ' A' ' 558' ' ' ASP . 0.2 OUTLIER -97.35 179.96 1.0 Allowed Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.524 1.14 . . . . 1.0 111.109 179.916 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 585' ' ' PRO . . . . . 0.951 ' HA ' HD11 ' A' ' 560' ' ' ILE . 18.3 Cg_endo -74.99 9.08 2.14 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.516 1.798 . . . . 1.0 111.025 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 586' ' ' ASN . . . . . 0.759 ' OD1' ' HB2' ' A' ' 654' ' ' ALA . 20.8 m-20 179.95 -41.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 1.0 109.366 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 587' ' ' ARG . . . . . 0.477 ' HA ' ' HA ' ' A' ' 602' ' ' THR . 0.0 OUTLIER -89.98 -172.93 3.69 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.506 1.129 . . . . 1.0 110.273 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 588' ' ' LEU . . . . . 0.9 HD12 ' N ' ' A' ' 589' ' ' GLU . 0.0 OUTLIER -173.88 129.38 0.4 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 1.0 109.252 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 589' ' ' GLU . . . . . 0.9 ' N ' HD12 ' A' ' 588' ' ' LEU . 4.4 mt-10 -112.36 144.37 41.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.445 1.09 . . . . 1.0 110.321 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 590' ' ' TRP . . . . . 0.507 ' CD1' ' O ' ' A' ' 599' ' ' SER . 0.2 OUTLIER -140.4 90.95 2.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.558 1.161 . . . . 1.0 107.972 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.53 -175.27 3.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.123 . . . . 1.0 110.303 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . 137.3 -140.92 11.75 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.472 1.107 . . . . 1.0 111.027 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 593' ' ' GLU . . . . . 0.445 ' O ' ' NH1' ' A' ' 579' ' ' ARG . 1.7 pt-20 -95.51 134.86 37.88 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.465 0.744 . . . . 1.0 110.29 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . 174.59 -147.87 9.41 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.577 1.173 . . . . 1.0 110.959 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 595' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -147.52 18.41 1.18 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 0.783 . . . . 1.0 110.288 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . -90.66 154.81 46.01 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.572 1.17 . . . . 1.0 109.302 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 597' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -90.13 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.561 1.822 . . . . 1.0 111.012 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 598' ' ' GLN . . . . . . . . . . . . . 9.3 mp0 -96.26 155.75 16.63 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.41 1.069 . . . . 1.0 110.258 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 599' ' ' SER . . . . . 0.507 ' O ' ' CD1' ' A' ' 590' ' ' TRP . 22.6 p -153.42 53.28 0.73 Allowed 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.478 1.111 . . . . 1.0 109.915 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 600' ' ' LEU . . . . . 0.633 ' O ' HD22 ' A' ' 601' ' ' LEU . 0.5 OUTLIER -125.02 135.7 53.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 1.0 109.328 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 601' ' ' LEU . . . . . 0.633 HD22 ' O ' ' A' ' 600' ' ' LEU . 0.3 OUTLIER -156.02 -179.76 8.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.433 1.083 . . . . 1.0 109.231 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 602' ' ' THR . . . . . 0.477 ' HA ' ' HA ' ' A' ' 587' ' ' ARG . 0.2 OUTLIER -113.8 -177.39 3.12 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.552 1.158 . . . . 1.0 110.424 179.93 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 603' ' ' MET . . . . . 0.705 ' SD ' HD23 ' A' ' 588' ' ' LEU . 0.0 OUTLIER -128.36 42.5 3.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 1.0 111.035 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 604' ' ' GLU . . . . . 0.88 ' HB3' ' HB1' ' A' ' 654' ' ' ALA . 12.5 pt-20 -124.3 57.26 1.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.421 1.076 . . . . 1.0 110.273 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 605' ' ' GLU . . . . . 0.475 ' HB2' HG23 ' A' ' 624' ' ' ILE . 1.5 pt-20 -156.76 -42.08 0.07 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.603 1.189 . . . . 1.0 110.232 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 606' ' ' ILE . . . . . 1.091 HG21 ' CD2' ' A' ' 651' ' ' TYR . 1.1 mp -34.56 135.89 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 1.0 109.281 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 607' ' ' GLN . . . . . 0.44 ' HG2' ' CB ' ' A' ' 625' ' ' ARG . 1.0 OUTLIER -90.89 -37.46 13.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 1.0 110.304 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -174.42 134.98 0.42 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.574 1.171 . . . . 1.0 110.001 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 609' ' ' VAL . . . . . 1.068 HG22 ' CD ' ' A' ' 644' ' ' LYS . 5.8 p -108.08 142.87 19.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.57 1.169 . . . . 1.0 109.343 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 610' ' ' GLU . . . . . 0.846 ' CG ' HD23 ' A' ' 621' ' ' LEU . 0.1 OUTLIER -162.71 -171.23 2.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 1.0 110.322 179.93 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 611' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -115.24 177.65 4.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.452 1.095 . . . . 1.0 110.305 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 612' ' ' THR . . . . . 0.673 ' O ' ' CB ' ' A' ' 618' ' ' LYS . 3.8 t -156.94 153.12 27.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.583 1.177 . . . . 1.0 110.455 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -116.25 174.24 6.16 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.415 1.072 . . . . 1.0 110.276 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 614' ' ' ILE . . . . . 0.834 HG23 ' O ' ' A' ' 614' ' ' ILE . 0.0 OUTLIER -152.13 41.13 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.113 . . . . 1.0 109.325 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 615' ' ' LYS . . . . . 0.432 ' HB2' ' O ' ' A' ' 614' ' ' ILE . 27.3 mmtt 82.75 -21.02 0.31 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.434 1.084 . . . . 1.0 109.284 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 616' ' ' GLU . . . . . 0.443 ' O ' ' CD ' ' A' ' 618' ' ' LYS . 1.1 tt0 -160.07 -54.52 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 1.0 110.304 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 617' ' ' ARG . . . . . 0.511 ' C ' ' CD ' ' A' ' 618' ' ' LYS . 1.4 ttt180 -85.35 152.0 23.59 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.399 1.062 . . . . 1.0 110.229 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 618' ' ' LYS . . . . . 0.673 ' CB ' ' O ' ' A' ' 612' ' ' THR . 0.0 OUTLIER -136.27 165.35 25.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.582 1.176 . . . . 1.0 109.293 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 619' ' ' CYS . . . . . 0.447 ' SG ' ' C ' ' A' ' 618' ' ' LYS . 6.6 m -151.58 151.96 32.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 1.0 108.263 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 620' ' ' LEU . . . . . 1.033 ' CD1' HD12 ' A' ' 640' ' ' LEU . 0.3 OUTLIER -85.34 122.54 29.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 1.0 109.288 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 621' ' ' LEU . . . . . 0.846 HD23 ' CG ' ' A' ' 610' ' ' GLU . 0.7 OUTLIER -84.32 158.2 21.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 1.0 109.288 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 622' ' ' LEU . . . . . 0.914 HD23 HG12 ' A' ' 606' ' ' ILE . 0.1 OUTLIER -155.5 77.65 0.99 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 1.0 109.342 -179.936 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 623' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.25 137.37 38.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 1.0 109.204 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 624' ' ' ILE . . . . . 0.549 HG22 ' H ' ' A' ' 626' ' ' GLY . 5.0 mt -102.45 149.48 6.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.567 1.167 . . . . 1.0 109.271 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 625' ' ' ARG . . . . . 0.44 ' CB ' ' HG2' ' A' ' 607' ' ' GLN . 13.9 ptt180 -77.96 3.5 14.49 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.46 1.1 . . . . 1.0 110.315 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 626' ' ' GLY . . . . . 0.549 ' H ' HG22 ' A' ' 624' ' ' ILE . . . -96.56 -19.98 25.95 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.547 1.154 . . . . 1.0 110.987 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 112.56 33.5 2.07 Favored Glycine 0 CA--C 1.529 0.959 0 N-CA-C 111.053 -0.819 . . . . 1.0 111.053 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 628' ' ' LYS . . . . . . . . . . . . . 2.7 mttt -128.69 133.22 48.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 0.762 . . . . 1.0 109.313 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -110.85 136.77 49.4 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.46 1.1 . . . . 1.0 110.279 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 630' ' ' PHE . . . . . 0.49 ' O ' ' N ' ' A' ' 622' ' ' LEU . 4.8 m-85 -131.67 141.62 49.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.586 1.179 . . . . 1.0 111.019 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 631' ' ' ILE . . . . . 0.653 HD12 ' HA ' ' A' ' 621' ' ' LEU . 0.6 OUTLIER -135.39 103.72 4.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 1.0 109.267 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 632' ' ' LEU . . . . . 0.84 HD21 HD13 ' A' ' 622' ' ' LEU . 0.1 OUTLIER -106.76 153.6 22.21 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.533 1.146 . . . . 1.0 109.264 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 633' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.73 152.48 41.32 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.574 1.171 . . . . 1.0 110.29 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 634' ' ' CYS . . . . . 0.651 ' HB2' HD23 ' A' ' 640' ' ' LEU . 2.0 t -134.65 178.56 6.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 1.0 108.253 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 635' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.03 -21.39 23.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 1.0 109.3 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 636' ' ' SER . . . . . 0.614 ' CB ' ' CG ' ' A' ' 639' ' ' GLU . 0.8 OUTLIER -86.98 145.32 26.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.559 1.162 . . . . 1.0 109.981 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 637' ' ' ASP . . . . . 0.603 ' N ' ' CD ' ' A' ' 638' ' ' PRO . 0.2 OUTLIER -85.17 -46.81 0.63 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 1.0 109.29 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 638' ' ' PRO . . . . . 0.603 ' CD ' ' N ' ' A' ' 637' ' ' ASP . 18.3 Cg_endo -74.98 -48.94 0.16 Allowed 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.43 1.753 . . . . 1.0 111.051 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 639' ' ' GLU . . . . . 0.614 ' CG ' ' CB ' ' A' ' 636' ' ' SER . 43.0 mm-40 -27.71 -81.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.421 1.076 . . . . 1.0 110.245 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 640' ' ' LEU . . . . . 1.033 HD12 ' CD1' ' A' ' 620' ' ' LEU . 0.2 OUTLIER -47.34 -45.5 24.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.15 . . . . 1.0 109.328 179.951 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 641' ' ' VAL . . . . . 0.601 HG12 ' N ' ' A' ' 642' ' ' GLN . 0.7 OUTLIER -47.59 -56.21 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.586 1.179 . . . . 1.0 109.293 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 642' ' ' GLN . . . . . 0.601 ' N ' HG12 ' A' ' 641' ' ' VAL . 1.1 mt-30 -65.74 -38.46 89.19 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.585 1.178 . . . . 1.0 110.315 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 643' ' ' TRP . . . . . 0.539 ' CZ3' ' CB ' ' A' ' 583' ' ' LEU . 14.7 m95 -56.74 -44.43 81.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 1.0 108.006 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 644' ' ' LYS . . . . . 1.068 ' CD ' HG22 ' A' ' 609' ' ' VAL . 4.7 ttpp -54.64 -57.42 11.52 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 1.0 109.338 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 645' ' ' LYS . . . . . 0.408 ' HB3' ' OE1' ' A' ' 646' ' ' GLU . 5.9 tmtt? -41.11 -53.02 3.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.441 1.088 . . . . 1.0 109.326 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 646' ' ' GLU . . . . . 0.684 ' HG2' HG22 ' A' ' 560' ' ' ILE . 0.7 OUTLIER -69.34 -34.83 75.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.417 1.073 . . . . 1.0 110.377 179.928 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 647' ' ' LEU . . . . . 0.967 HD22 ' OH ' ' A' ' 651' ' ' TYR . 33.7 mt -65.32 -63.78 1.02 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 1.0 109.303 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 648' ' ' ARG . . . . . 0.611 ' HG3' ' CG1' ' A' ' 609' ' ' VAL . 0.0 OUTLIER -38.18 -50.98 1.44 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.461 1.1 . . . . 1.0 110.347 -179.933 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 649' ' ' ASP . . . . . 0.494 ' O ' ' N ' ' A' ' 652' ' ' ARG . 13.8 t70 -68.0 -54.8 15.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 1.0 109.336 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 650' ' ' ALA . . . . . . . . . . . . . . . -39.44 -39.29 0.66 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 1.0 109.308 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 651' ' ' TYR . . . . . 1.091 ' CD2' HG21 ' A' ' 606' ' ' ILE . 4.6 m-30 -79.33 -38.67 34.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.426 1.079 . . . . 1.0 111.083 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 652' ' ' ARG . . . . . 0.564 ' HA ' ' HG2' ' A' ' 655' ' ' GLN . 0.8 OUTLIER -72.35 -40.83 67.08 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.537 1.148 . . . . 1.0 110.392 179.877 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 653' ' ' GLU . . . . . 0.48 ' N ' ' CG ' ' A' ' 652' ' ' ARG . 0.1 OUTLIER -66.66 -35.01 79.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 1.0 110.323 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 654' ' ' ALA . . . . . 0.88 ' HB1' ' HB3' ' A' ' 604' ' ' GLU . . . -78.25 -55.36 5.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.16 . . . . 1.0 109.422 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 655' ' ' GLN . . . . . 0.564 ' HG2' ' HA ' ' A' ' 652' ' ' ARG . 4.7 pt20 -48.68 -42.83 36.02 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.566 1.167 . . . . 1.0 110.211 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 656' ' ' GLN . . . . . 0.437 ' N ' ' HG3' ' A' ' 655' ' ' GLN . 0.0 OUTLIER -58.85 -13.66 6.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 1.0 110.418 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 657' ' ' LEU . . . . . 0.488 ' HG ' ' O ' ' A' ' 654' ' ' ALA . 13.2 mt -85.41 -28.1 25.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 1.0 109.3 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 658' ' ' VAL . . . . . 0.412 ' O ' HG13 ' A' ' 658' ' ' VAL . 0.7 OUTLIER -117.2 13.72 7.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.132 . . . . 1.0 109.314 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 659' ' ' GLN . . . . . 0.46 ' O ' HG12 ' A' ' 661' ' ' VAL . 0.4 OUTLIER -59.04 -59.28 5.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 1.0 110.291 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 660' ' ' ARG . . . . . . . . . . . . . 9.1 mtp180 -68.09 65.77 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.601 1.188 . . . . 1.0 110.291 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 661' ' ' VAL . . . . . 0.46 HG12 ' O ' ' A' ' 659' ' ' GLN . 4.3 p -111.16 124.94 31.58 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 1.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 662' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.9 55.74 3.99 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.456 1.767 . . . . 1.0 111.027 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 1.4 ptmm? 40.85 62.56 1.38 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 1.0 109.323 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 664' ' ' MET . . . . . 0.492 ' CG ' ' N ' ' A' ' 665' ' ' LYS . 1.4 ttm 60.17 -100.74 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 1.0 111.007 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 665' ' ' LYS . . . . . 0.492 ' N ' ' CG ' ' A' ' 664' ' ' MET . 2.8 ttpt 76.32 -70.27 0.14 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.444 1.09 . . . . 1.0 109.323 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 666' ' ' ASN . . . . . . . . . . . . . 31.2 m-20 40.41 41.98 1.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.398 1.061 . . . . 1.0 109.251 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.43 77.49 0.39 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 1.0 109.342 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 668' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 56.27 4.25 Favored 'Trans proline' 0 C--N 1.361 1.225 0 O-C-N 124.481 1.78 . . . . 1.0 111.035 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 52.74 93.53 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.562 1.164 . . . . 1.0 110.285 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.25 1.106 0 CA-C-O 117.036 -1.459 . . . . 1.0 109.979 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.953 0 N-CA-C 111.029 -0.829 . . . . 1.0 111.029 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 553' ' ' SER . . . . . 0.452 ' O ' ' NH2' ' A' ' 587' ' ' ARG . 91.9 p -179.86 160.84 0.93 Allowed 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.455 0.739 . . . . 1.0 109.937 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 554' ' ' HIS . . . . . . . . . . . . . 13.8 m-70 -114.7 171.95 7.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.564 1.165 . . . . 1.0 109.58 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 555' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -159.45 163.48 35.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.122 . . . . 1.0 110.988 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . 132.9 179.81 16.63 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.433 1.083 . . . . 1.0 110.966 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 33.6 tttt -154.04 -41.98 0.09 Allowed 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.503 0.766 . . . . 1.0 109.268 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 558' ' ' ASP . . . . . 0.455 ' O ' ' HG3' ' A' ' 585' ' ' PRO . 0.5 OUTLIER -129.62 102.56 6.41 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.509 1.13 . . . . 1.0 109.235 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 559' ' ' CYS . . . . . 0.425 ' SG ' ' O ' ' A' ' 583' ' ' LEU . 53.8 t -65.62 136.9 56.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 1.0 108.337 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 560' ' ' ILE . . . . . 0.922 HG22 ' CG ' ' A' ' 646' ' ' GLU . 55.2 mt -69.25 -60.11 2.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.582 1.177 . . . . 1.0 109.329 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 561' ' ' MET . . . . . 0.566 ' HB2' ' HG2' ' A' ' 646' ' ' GLU . 0.0 OUTLIER -149.23 161.35 42.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.434 1.084 . . . . 1.0 111.003 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 562' ' ' HIS . . . . . 0.408 ' HA ' ' CZ2' ' A' ' 643' ' ' TRP . 0.8 OUTLIER -160.23 151.48 19.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 1.0 109.592 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 563' ' ' GLY . . . . . . . . . . . . . . . 167.86 -164.15 37.73 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.478 1.111 . . . . 1.0 111.004 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 564' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -104.55 123.57 47.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 0.772 . . . . 1.0 111.021 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 565' ' ' MET . . . . . 0.573 ' HA ' ' SG ' ' A' ' 634' ' ' CYS . 10.9 ptm -151.17 142.67 23.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 1.0 111.011 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 566' ' ' SER . . . . . 0.543 ' OG ' ' CG ' ' A' ' 633' ' ' GLN . 1.0 OUTLIER -86.02 155.89 20.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.43 1.081 . . . . 1.0 109.999 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 567' ' ' LYS . . . . . 0.672 ' HD2' HD22 ' A' ' 632' ' ' LEU . 3.0 tttp -159.9 148.17 17.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.387 1.054 . . . . 1.0 109.334 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 568' ' ' MET . . . . . 0.432 ' O ' ' O ' ' A' ' 631' ' ' ILE . 0.0 OUTLIER -164.43 175.82 9.61 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.371 1.044 . . . . 1.0 110.94 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 569' ' ' GLY . . . . . 0.41 ' C ' ' CG ' ' A' ' 570' ' ' ASN . . . 161.42 110.55 0.26 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.527 1.142 . . . . 1.0 111.013 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 570' ' ' ASN . . . . . 0.577 ' CB ' ' CD ' ' A' ' 571' ' ' PRO . 0.0 OUTLIER -165.9 -178.19 0.69 Allowed Pre-proline 0 C--N 1.324 -0.537 0 O-C-N 124.514 0.773 . . . . 1.0 109.35 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 571' ' ' PRO . . . . . 0.577 ' CD ' ' CB ' ' A' ' 570' ' ' ASN . 18.6 Cg_endo -74.97 8.92 2.19 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.518 1.799 . . . . 1.0 110.976 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 572' ' ' PHE . . . . . 0.55 ' CE2' ' HG2' ' A' ' 571' ' ' PRO . 8.6 m-85 -137.62 86.46 2.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 1.0 111.034 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.64 84.4 7.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 1.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 574' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -150.39 -30.18 0.21 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.55 1.156 . . . . 1.0 110.347 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 575' ' ' GLN . . . . . 0.601 ' O ' ' CD1' ' A' ' 576' ' ' TRP . 18.4 pt20 -86.4 148.54 25.53 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.522 1.138 . . . . 1.0 110.346 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 576' ' ' TRP . . . . . 0.601 ' CD1' ' O ' ' A' ' 575' ' ' GLN . 12.5 m0 -145.19 115.76 7.65 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.554 1.159 . . . . 1.0 108.066 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -134.8 129.55 34.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.451 1.095 . . . . 1.0 110.35 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 578' ' ' ARG . . . . . 0.429 ' HG2' ' O ' ' A' ' 578' ' ' ARG . 0.0 OUTLIER -86.67 139.02 31.19 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.43 1.081 . . . . 1.0 110.349 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 579' ' ' ARG . . . . . 0.525 ' O ' ' O ' ' A' ' 565' ' ' MET . 0.6 OUTLIER -140.78 164.78 29.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 1.0 110.276 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 580' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -89.15 125.93 35.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.555 1.159 . . . . 1.0 111.044 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 581' ' ' PHE . . . . . 0.578 ' CE2' ' CB ' ' A' ' 590' ' ' TRP . 25.7 m-85 -120.33 163.76 17.34 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.449 1.093 . . . . 1.0 110.987 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 582' ' ' TYR . . . . . 0.619 ' CA ' ' HH2' ' A' ' 643' ' ' TRP . 14.4 m-85 -139.36 121.18 15.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 1.0 110.951 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 583' ' ' LEU . . . . . 0.852 HD23 ' CB ' ' A' ' 646' ' ' GLU . 7.7 tp -88.31 102.74 15.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.566 1.166 . . . . 1.0 109.252 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 584' ' ' PHE . . . . . 0.435 ' HB2' ' O ' ' A' ' 587' ' ' ARG . 0.3 OUTLIER -104.31 152.71 39.29 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 1.0 111.009 179.91 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 585' ' ' PRO . . . . . 0.644 ' O ' ' CB ' ' A' ' 586' ' ' ASN . 18.4 Cg_endo -75.04 66.83 6.04 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.386 1.729 . . . . 1.0 110.983 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 586' ' ' ASN . . . . . 0.769 ' CA ' ' HG2' ' A' ' 603' ' ' MET . 24.2 m-20 142.24 -40.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.085 . . . . 1.0 109.317 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 587' ' ' ARG . . . . . 0.549 ' HA ' ' HA ' ' A' ' 602' ' ' THR . 0.1 OUTLIER -122.53 -175.94 3.26 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.482 1.114 . . . . 1.0 110.261 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 588' ' ' LEU . . . . . 0.497 HD11 ' HD2' ' A' ' 581' ' ' PHE . 0.1 OUTLIER -167.11 123.81 1.18 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 1.0 109.294 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 589' ' ' GLU . . . . . 0.47 ' O ' HD12 ' A' ' 588' ' ' LEU . 1.7 mt-10 -93.9 153.05 18.44 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.54 1.15 . . . . 1.0 110.3 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 590' ' ' TRP . . . . . 0.578 ' CB ' ' CE2' ' A' ' 581' ' ' PHE . 33.5 p-90 -158.1 102.63 1.8 Allowed 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.937 -1.134 . . . . 1.0 107.937 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 6.7 mmt180 -139.99 -177.36 4.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.59 1.181 . . . . 1.0 110.204 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . 169.31 -137.03 4.31 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.549 1.156 . . . . 1.0 110.972 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -77.93 173.18 12.43 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 0.74 . . . . 1.0 110.359 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . 83.37 -125.74 7.17 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.485 1.115 . . . . 1.0 110.965 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 595' ' ' GLU . . . . . 0.423 ' O ' ' HB2' ' A' ' 596' ' ' ALA . 0.5 OUTLIER -169.77 161.34 9.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 0.748 . . . . 1.0 110.27 -179.945 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 596' ' ' ALA . . . . . 0.423 ' HB2' ' O ' ' A' ' 595' ' ' GLU . . . 179.14 156.99 0.65 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.117 . . . . 1.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 597' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -89.88 0.01 OUTLIER 'Trans proline' 0 C--N 1.362 1.249 0 O-C-N 124.471 1.774 . . . . 1.0 110.996 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 598' ' ' GLN . . . . . . . . . . . . . 5.2 mp0 -110.76 134.65 52.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 1.0 110.33 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 599' ' ' SER . . . . . 0.437 ' HB3' ' CE2' ' A' ' 590' ' ' TRP . 19.4 m -136.75 52.17 1.96 Allowed 'General case' 0 N--CA 1.451 -0.417 0 O-C-N 124.449 1.093 . . . . 1.0 109.988 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -140.53 116.07 10.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.393 1.058 . . . . 1.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 601' ' ' LEU . . . . . 0.429 ' O ' ' HA ' ' A' ' 587' ' ' ARG . 0.9 OUTLIER -113.84 -176.16 2.84 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.481 1.113 . . . . 1.0 109.36 179.938 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 602' ' ' THR . . . . . 0.581 ' HA ' ' O ' ' A' ' 586' ' ' ASN . 0.0 OUTLIER -104.63 -172.85 2.18 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.445 1.09 . . . . 1.0 110.395 -179.937 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 603' ' ' MET . . . . . 0.769 ' HG2' ' CA ' ' A' ' 586' ' ' ASN . 0.0 OUTLIER -129.31 30.11 5.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 1.0 110.976 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 604' ' ' GLU . . . . . 0.532 ' HB3' ' HB1' ' A' ' 654' ' ' ALA . 7.0 pt-20 -123.82 58.43 1.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 1.0 110.271 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 605' ' ' GLU . . . . . 0.495 ' HB2' HG23 ' A' ' 624' ' ' ILE . 3.3 pt-20 -157.76 -51.49 0.07 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.527 1.142 . . . . 1.0 110.321 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 606' ' ' ILE . . . . . 1.296 HG21 ' CD2' ' A' ' 651' ' ' TYR . 0.9 OUTLIER -35.36 135.01 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.57 1.169 . . . . 1.0 109.322 179.945 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 607' ' ' GLN . . . . . 0.551 ' HG2' ' CB ' ' A' ' 625' ' ' ARG . 0.0 OUTLIER -87.42 -37.21 17.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.424 1.078 . . . . 1.0 110.367 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 608' ' ' SER . . . . . 0.427 ' HB2' ' HD3' ' A' ' 623' ' ' LYS . 3.5 m -174.9 134.18 0.35 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 1.0 109.98 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 609' ' ' VAL . . . . . 1.09 HG22 ' CD ' ' A' ' 644' ' ' LYS . 3.3 p -104.12 127.99 57.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 1.0 109.363 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 610' ' ' GLU . . . . . 0.949 ' HG3' HD23 ' A' ' 621' ' ' LEU . 3.1 pt-20 -150.39 -170.27 3.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 1.0 110.317 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 611' ' ' GLU . . . . . 0.546 ' HA ' ' HA ' ' A' ' 620' ' ' LEU . 18.7 tt0 -140.39 142.39 35.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 1.0 110.32 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 612' ' ' THR . . . . . 0.781 HG23 ' HG3' ' A' ' 618' ' ' LYS . 0.0 OUTLIER -102.95 164.49 11.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 1.0 110.393 -179.919 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 60.5 mt-30 -129.89 160.86 32.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 1.0 110.337 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 614' ' ' ILE . . . . . 0.8 HG22 ' O ' ' A' ' 614' ' ' ILE . 0.1 OUTLIER -145.55 84.33 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.422 1.076 . . . . 1.0 109.379 179.934 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 615' ' ' LYS . . . . . 0.416 ' HB2' ' O ' ' A' ' 614' ' ' ILE . 2.8 mmmt 81.89 -33.18 0.1 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.456 1.097 . . . . 1.0 109.273 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 616' ' ' GLU . . . . . 0.44 ' H ' ' C ' ' A' ' 614' ' ' ILE . 3.5 tt0 -156.23 -48.41 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.596 1.185 . . . . 1.0 110.294 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -157.18 138.23 13.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.59 1.181 . . . . 1.0 110.27 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 618' ' ' LYS . . . . . 0.781 ' HG3' HG23 ' A' ' 612' ' ' THR . 11.4 tptt -116.33 -97.16 0.46 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.418 1.074 . . . . 1.0 109.323 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 619' ' ' CYS . . . . . 0.473 ' O ' ' CG ' ' A' ' 611' ' ' GLU . 52.9 m -157.29 -178.91 7.7 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.564 1.165 . . . . 1.0 108.326 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 620' ' ' LEU . . . . . 1.049 ' CD1' HD12 ' A' ' 640' ' ' LEU . 0.2 OUTLIER -96.39 141.19 30.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 1.0 109.314 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 621' ' ' LEU . . . . . 0.949 HD23 ' HG3' ' A' ' 610' ' ' GLU . 1.0 OUTLIER -105.28 162.89 13.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 1.0 109.376 179.94 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 622' ' ' LEU . . . . . 0.933 HD13 HD21 ' A' ' 632' ' ' LEU . 0.1 OUTLIER -160.57 78.09 0.62 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 1.0 109.298 -179.919 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 623' ' ' LYS . . . . . 0.427 ' HD3' ' HB2' ' A' ' 608' ' ' SER . 0.0 OUTLIER -76.38 141.03 41.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.393 1.058 . . . . 1.0 109.292 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 624' ' ' ILE . . . . . 0.928 HG22 ' H ' ' A' ' 626' ' ' GLY . 56.3 mt -106.24 145.64 13.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 1.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 625' ' ' ARG . . . . . 0.551 ' CB ' ' HG2' ' A' ' 607' ' ' GLN . 20.5 ptt180 -77.65 2.88 15.33 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.524 1.14 . . . . 1.0 110.252 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 626' ' ' GLY . . . . . 0.928 ' H ' HG22 ' A' ' 624' ' ' ILE . . . -93.6 -22.9 25.13 Favored Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.517 1.136 . . . . 1.0 110.942 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 114.2 41.42 0.9 Allowed Glycine 0 CA--C 1.529 0.956 0 N-CA-C 111.058 -0.817 . . . . 1.0 111.058 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 628' ' ' LYS . . . . . . . . . . . . . 4.5 mtmt -147.21 120.79 9.13 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.469 0.747 . . . . 1.0 109.257 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 629' ' ' GLN . . . . . 0.401 ' HA ' ' HA ' ' A' ' 623' ' ' LYS . 3.4 mp0 -99.54 148.51 24.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.578 1.174 . . . . 1.0 110.379 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 630' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -127.21 157.46 39.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 1.0 111.053 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 631' ' ' ILE . . . . . 0.651 HD13 ' O ' ' A' ' 620' ' ' LEU . 0.5 OUTLIER -144.35 103.72 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 1.0 109.264 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 632' ' ' LEU . . . . . 0.933 HD21 HD13 ' A' ' 622' ' ' LEU . 0.2 OUTLIER -116.89 166.2 12.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.155 . . . . 1.0 109.294 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 633' ' ' GLN . . . . . 0.543 ' CG ' ' OG ' ' A' ' 566' ' ' SER . 12.1 pt20 -146.42 174.15 11.65 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.432 1.082 . . . . 1.0 110.296 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 634' ' ' CYS . . . . . 0.742 ' HB2' HD23 ' A' ' 640' ' ' LEU . 0.5 OUTLIER -155.32 160.51 40.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 1.0 108.238 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 635' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.21 -14.38 33.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.41 1.069 . . . . 1.0 109.247 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 636' ' ' SER . . . . . 0.58 ' CB ' ' CG ' ' A' ' 639' ' ' GLU . 2.4 m -95.35 161.72 13.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 1.0 110.067 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 637' ' ' ASP . . . . . 0.554 ' N ' ' CD ' ' A' ' 638' ' ' PRO . 0.4 OUTLIER -92.26 -49.57 0.3 Allowed Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.46 1.1 . . . . 1.0 109.284 -179.941 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 638' ' ' PRO . . . . . 0.566 ' O ' ' C ' ' A' ' 639' ' ' GLU . 18.5 Cg_endo -74.99 -52.25 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.474 1.776 . . . . 1.0 111.029 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 639' ' ' GLU . . . . . 0.58 ' CG ' ' CB ' ' A' ' 636' ' ' SER . 20.3 mm-40 -23.66 -80.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 1.0 110.306 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 640' ' ' LEU . . . . . 1.049 HD12 ' CD1' ' A' ' 620' ' ' LEU . 0.2 OUTLIER -52.34 -47.57 65.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 1.0 109.243 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 641' ' ' VAL . . . . . 0.615 HG12 ' N ' ' A' ' 642' ' ' GLN . 0.8 OUTLIER -44.22 -57.52 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.164 . . . . 1.0 109.234 -179.943 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 642' ' ' GLN . . . . . 0.615 ' N ' HG12 ' A' ' 641' ' ' VAL . 0.1 OUTLIER -63.12 -40.95 99.08 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.403 1.064 . . . . 1.0 110.302 -179.94 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 643' ' ' TRP . . . . . 0.798 ' CZ3' ' HB2' ' A' ' 583' ' ' LEU . 24.1 m95 -54.62 -42.27 70.98 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 107.95 -1.13 . . . . 1.0 107.95 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 644' ' ' LYS . . . . . 1.09 ' CD ' HG22 ' A' ' 609' ' ' VAL . 0.0 OUTLIER -62.56 -55.94 22.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 1.0 109.273 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 11.3 tmtt? -44.12 -53.05 6.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.556 1.16 . . . . 1.0 109.278 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 646' ' ' GLU . . . . . 0.922 ' CG ' HG22 ' A' ' 560' ' ' ILE . 0.3 OUTLIER -68.38 -32.58 72.76 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.521 1.138 . . . . 1.0 110.294 -179.892 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 647' ' ' LEU . . . . . 0.75 HD12 ' C ' ' A' ' 643' ' ' TRP . 1.7 mt -68.15 -61.77 1.7 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.503 1.127 . . . . 1.0 109.245 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 648' ' ' ARG . . . . . 0.472 ' HB3' ' CZ ' ' A' ' 648' ' ' ARG . 1.2 ttp-105 -39.28 -55.13 1.75 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.475 1.109 . . . . 1.0 110.234 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 649' ' ' ASP . . . . . 0.415 ' O ' ' N ' ' A' ' 653' ' ' GLU . 30.0 t0 -61.3 -49.66 76.14 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.484 1.115 . . . . 1.0 109.3 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 650' ' ' ALA . . . . . 0.464 ' O ' ' SD ' ' A' ' 603' ' ' MET . . . -46.45 -50.44 16.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.162 . . . . 1.0 109.267 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 651' ' ' TYR . . . . . 1.296 ' CD2' HG21 ' A' ' 606' ' ' ILE . 19.9 m-30 -71.81 -36.74 70.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.416 1.073 . . . . 1.0 111.027 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 652' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 655' ' ' GLN . 4.9 mmm180 -65.97 -66.34 0.56 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 1.0 110.288 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 653' ' ' GLU . . . . . 0.566 ' C ' HD12 ' A' ' 657' ' ' LEU . 5.8 mt-10 -40.44 -55.01 2.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.434 1.084 . . . . 1.0 110.258 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 654' ' ' ALA . . . . . 0.532 ' HB1' ' HB3' ' A' ' 604' ' ' GLU . . . -49.56 -41.65 42.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 1.0 109.311 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 655' ' ' GLN . . . . . 0.721 ' HA ' HG12 ' A' ' 658' ' ' VAL . 72.0 mt-30 -76.04 -61.63 1.87 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 1.0 110.274 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 656' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -53.64 -23.12 10.21 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.516 1.135 . . . . 1.0 110.251 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 657' ' ' LEU . . . . . 0.566 HD12 ' C ' ' A' ' 653' ' ' GLU . 18.4 mt -87.66 -19.47 27.65 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.503 1.127 . . . . 1.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 658' ' ' VAL . . . . . 0.721 HG12 ' HA ' ' A' ' 655' ' ' GLN . 2.7 p -116.17 15.92 7.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.534 1.146 . . . . 1.0 109.329 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 659' ' ' GLN . . . . . 0.473 ' N ' ' O ' ' A' ' 655' ' ' GLN . 0.0 OUTLIER -85.37 46.86 1.34 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 1.0 110.318 179.94 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 660' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.87 15.72 5.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 1.0 110.301 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 661' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -91.64 161.82 33.07 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 1.0 109.307 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 662' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 -179.17 4.7 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.521 1.801 . . . . 1.0 111.093 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 15.4 ttmm -65.52 93.97 0.17 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.462 1.101 . . . . 1.0 109.281 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 664' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 61.7 157.45 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 1.0 110.946 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.24 92.72 6.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 1.0 109.336 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 666' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -83.3 58.06 4.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 1.0 109.311 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -168.25 108.22 0.55 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.596 1.185 . . . . 1.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 668' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.05 -30.7 6.81 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.512 1.796 . . . . 1.0 111.056 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 175.6 166.48 0.36 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.564 1.165 . . . . 1.0 110.233 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 7.4 t . . . . . 0 C--O 1.251 1.144 0 CA-C-O 116.988 -1.482 . . . . 1.0 110.0 179.967 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.957 0 N-CA-C 111.033 -0.827 . . . . 1.0 111.033 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 553' ' ' SER . . . . . . . . . . . . . 1.6 m 64.1 140.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 0.758 . . . . 1.0 109.985 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 554' ' ' HIS . . . . . . . . . . . . . 7.8 t60 -151.55 63.05 0.87 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 1.0 109.546 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 555' ' ' MET . . . . . . . . . . . . . 7.2 mtt -127.5 81.69 2.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 1.0 111.033 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . 55.41 171.82 0.09 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.482 1.114 . . . . 1.0 110.993 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 17.5 tttt -150.4 63.21 0.95 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.486 0.757 . . . . 1.0 109.332 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 558' ' ' ASP . . . . . 0.517 ' O ' ' HG3' ' A' ' 585' ' ' PRO . 69.0 m-20 -154.77 109.23 2.98 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.109 . . . . 1.0 109.353 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 559' ' ' CYS . . . . . 0.676 ' SG ' ' CD1' ' A' ' 584' ' ' PHE . 0.5 OUTLIER -69.69 143.55 53.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.432 1.083 . . . . 1.0 108.35 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 560' ' ' ILE . . . . . 0.803 HG22 ' HG2' ' A' ' 646' ' ' GLU . 19.3 mt -86.16 -56.8 4.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.546 1.153 . . . . 1.0 109.241 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 561' ' ' MET . . . . . 0.459 ' SD ' ' CD1' ' A' ' 643' ' ' TRP . 0.0 OUTLIER -144.77 138.17 26.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 1.0 110.992 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 562' ' ' HIS . . . . . . . . . . . . . 2.4 p80 -137.2 147.0 45.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 1.0 109.522 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 563' ' ' GLY . . . . . 0.468 ' N ' ' HZ2' ' A' ' 643' ' ' TRP . . . 174.59 -162.64 32.83 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.533 1.146 . . . . 1.0 110.991 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 564' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -103.71 124.23 48.48 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.537 0.786 . . . . 1.0 111.051 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 565' ' ' MET . . . . . 0.531 ' O ' ' O ' ' A' ' 579' ' ' ARG . 11.6 mtm -128.41 -171.27 2.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 1.0 111.021 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 566' ' ' SER . . . . . 0.584 ' OG ' ' CG ' ' A' ' 633' ' ' GLN . 0.9 OUTLIER -149.31 134.78 18.47 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.497 1.123 . . . . 1.0 110.028 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 567' ' ' LYS . . . . . 0.613 ' HE2' ' CD2' ' A' ' 630' ' ' PHE . 9.4 ttmt -128.72 159.7 34.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 1.0 109.281 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 568' ' ' MET . . . . . 0.433 ' N ' ' HG2' ' A' ' 567' ' ' LYS . 0.0 OUTLIER 178.76 170.74 0.84 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 1.0 111.012 179.882 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 569' ' ' GLY . . . . . 0.411 ' C ' ' CG ' ' A' ' 570' ' ' ASN . . . 159.11 118.16 0.51 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.485 1.116 . . . . 1.0 111.019 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 570' ' ' ASN . . . . . 0.569 ' CB ' ' CD ' ' A' ' 571' ' ' PRO . 0.0 OUTLIER -166.12 -178.56 0.73 Allowed Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.459 0.74 . . . . 1.0 109.308 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 571' ' ' PRO . . . . . 0.569 ' CD ' ' CB ' ' A' ' 570' ' ' ASN . 18.2 Cg_endo -75.01 8.29 2.48 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.531 1.806 . . . . 1.0 110.994 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 572' ' ' PHE . . . . . 0.562 ' CE2' ' HG2' ' A' ' 571' ' ' PRO . 21.5 m-85 -140.41 86.84 2.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 1.0 111.005 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.08 84.85 7.45 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.516 1.135 . . . . 1.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 574' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -149.96 -8.48 0.3 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.6 1.187 . . . . 1.0 110.369 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 575' ' ' GLN . . . . . 0.613 ' O ' ' CD1' ' A' ' 576' ' ' TRP . 18.5 pt20 -117.25 164.1 15.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 1.0 110.289 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 576' ' ' TRP . . . . . 0.613 ' CD1' ' O ' ' A' ' 575' ' ' GLN . 2.1 m-90 -146.44 140.66 26.44 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 107.94 -1.133 . . . . 1.0 107.94 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 577' ' ' GLN . . . . . 0.449 ' OE1' ' NH1' ' A' ' 579' ' ' ARG . 0.0 OUTLIER -127.11 120.44 28.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 1.0 110.319 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 578' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -92.26 119.23 31.66 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.529 1.143 . . . . 1.0 110.268 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 579' ' ' ARG . . . . . 0.639 ' HE ' ' N ' ' A' ' 592' ' ' GLY . 11.4 mmm-85 -134.38 167.1 21.36 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.436 1.085 . . . . 1.0 110.312 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 580' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -85.97 130.93 34.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.45 1.094 . . . . 1.0 110.986 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 581' ' ' PHE . . . . . 0.511 ' O ' ' CD1' ' A' ' 582' ' ' TYR . 1.4 m-85 -114.4 172.79 6.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.349 1.03 . . . . 1.0 110.977 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 582' ' ' TYR . . . . . 0.598 ' O ' ' HA ' ' A' ' 588' ' ' LEU . 5.3 m-85 -157.72 103.72 1.92 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.512 1.133 . . . . 1.0 110.933 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 583' ' ' LEU . . . . . 0.971 HD21 ' HB3' ' A' ' 646' ' ' GLU . 1.4 tt -86.11 110.26 19.42 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.515 1.134 . . . . 1.0 109.348 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 584' ' ' PHE . . . . . 0.676 ' CD1' ' SG ' ' A' ' 559' ' ' CYS . 1.7 m-85 -102.14 174.28 2.98 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 1.0 111.002 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 585' ' ' PRO . . . . . 0.653 ' HA ' HD11 ' A' ' 560' ' ' ILE . 18.0 Cg_endo -75.09 2.06 7.1 Favored 'Trans proline' 0 C--N 1.361 1.232 0 O-C-N 124.398 1.736 . . . . 1.0 110.983 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 586' ' ' ASN . . . . . 0.721 ' HA ' ' CG ' ' A' ' 603' ' ' MET . 68.3 m-80 -165.16 -41.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 1.0 109.31 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 587' ' ' ARG . . . . . 0.574 ' HA ' ' HA ' ' A' ' 602' ' ' THR . 0.1 OUTLIER -87.26 -174.81 5.03 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.494 1.122 . . . . 1.0 110.247 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 588' ' ' LEU . . . . . 0.598 ' HA ' ' O ' ' A' ' 582' ' ' TYR . 0.2 OUTLIER 177.79 106.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.406 1.066 . . . . 1.0 109.343 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 589' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -100.43 148.34 24.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 1.0 110.329 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 590' ' ' TRP . . . . . 0.521 ' CE2' ' HB3' ' A' ' 599' ' ' SER . 1.6 p-90 -145.82 88.86 1.85 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 1.0 107.961 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.54 171.11 12.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 1.0 110.366 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 592' ' ' GLY . . . . . 0.639 ' N ' ' HE ' ' A' ' 579' ' ' ARG . . . -95.33 -138.41 9.59 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.527 1.142 . . . . 1.0 110.97 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 593' ' ' GLU . . . . . 0.471 ' O ' ' C ' ' A' ' 594' ' ' GLY . 0.0 OUTLIER -83.37 -174.08 5.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 0.778 . . . . 1.0 110.318 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 594' ' ' GLY . . . . . 0.471 ' C ' ' O ' ' A' ' 593' ' ' GLU . . . -32.24 130.35 0.25 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.503 1.127 . . . . 1.0 111.04 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 595' ' ' GLU . . . . . 0.53 ' O ' ' HB2' ' A' ' 596' ' ' ALA . 0.1 OUTLIER 70.79 142.7 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 0.766 . . . . 1.0 110.22 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 596' ' ' ALA . . . . . 0.53 ' HB2' ' O ' ' A' ' 595' ' ' GLU . . . 174.37 164.1 0.34 Allowed Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.511 1.132 . . . . 1.0 109.284 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 597' ' ' PRO . . . . . 0.499 ' HD2' ' HB1' ' A' ' 596' ' ' ALA . 18.4 Cg_endo -75.06 -172.08 1.16 Allowed 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.539 1.81 . . . . 1.0 110.997 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 598' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -89.78 114.67 26.41 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.553 1.158 . . . . 1.0 110.306 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 599' ' ' SER . . . . . 0.521 ' HB3' ' CE2' ' A' ' 590' ' ' TRP . 8.9 m -149.41 72.11 1.14 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.427 1.079 . . . . 1.0 109.984 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -139.98 116.81 10.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.565 1.166 . . . . 1.0 109.378 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -129.74 -169.11 2.06 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.512 1.133 . . . . 1.0 109.273 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 602' ' ' THR . . . . . 0.586 HG22 ' O ' ' A' ' 586' ' ' ASN . 0.0 OUTLIER -112.01 -162.59 0.8 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 1.0 110.456 179.925 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 603' ' ' MET . . . . . 0.721 ' CG ' ' HA ' ' A' ' 586' ' ' ASN . 0.0 OUTLIER -124.55 39.05 4.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 1.0 110.961 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 604' ' ' GLU . . . . . 0.442 ' HB3' ' HB1' ' A' ' 654' ' ' ALA . 6.4 pt-20 -125.84 57.95 1.35 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.51 1.131 . . . . 1.0 110.262 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 605' ' ' GLU . . . . . 0.519 ' O ' ' C ' ' A' ' 606' ' ' ILE . 3.4 pt-20 -158.91 -52.77 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 1.0 110.313 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 606' ' ' ILE . . . . . 1.216 HG21 ' CD2' ' A' ' 651' ' ' TYR . 1.0 OUTLIER -31.64 137.09 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 1.0 109.332 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 607' ' ' GLN . . . . . 0.58 ' HG2' ' CB ' ' A' ' 625' ' ' ARG . 0.0 OUTLIER -91.35 -36.32 13.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.43 1.082 . . . . 1.0 110.414 179.932 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 608' ' ' SER . . . . . 0.415 ' HB2' ' HD3' ' A' ' 623' ' ' LYS . 3.1 m -173.51 135.18 0.53 Allowed 'General case' 0 C--N 1.327 -0.383 0 O-C-N 124.45 1.093 . . . . 1.0 109.934 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 609' ' ' VAL . . . . . 0.849 HG22 ' CD ' ' A' ' 644' ' ' LYS . 6.7 p -104.86 127.42 59.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 1.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 610' ' ' GLU . . . . . 0.82 ' CG ' HD23 ' A' ' 621' ' ' LEU . 0.3 OUTLIER -150.77 175.43 12.0 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.394 1.059 . . . . 1.0 110.382 179.923 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 611' ' ' GLU . . . . . 0.429 ' HA ' ' H ' ' A' ' 621' ' ' LEU . 23.0 tt0 -137.98 138.26 38.74 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.495 1.122 . . . . 1.0 110.285 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 612' ' ' THR . . . . . 0.843 HG23 ' HG3' ' A' ' 618' ' ' LYS . 0.1 OUTLIER -96.1 162.45 13.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.388 1.055 . . . . 1.0 110.382 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 613' ' ' GLN . . . . . 0.493 ' O ' HD12 ' A' ' 614' ' ' ILE . 2.2 mp0 -130.1 153.86 48.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 1.0 110.297 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 614' ' ' ILE . . . . . 0.761 HG22 ' O ' ' A' ' 614' ' ' ILE . 0.5 OUTLIER -142.01 85.71 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.55 1.156 . . . . 1.0 109.269 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 615' ' ' LYS . . . . . 0.422 ' CB ' ' O ' ' A' ' 614' ' ' ILE . 10.4 ttpt 82.9 -35.06 0.08 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.542 1.151 . . . . 1.0 109.259 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 616' ' ' GLU . . . . . 0.425 ' H ' ' C ' ' A' ' 614' ' ' ILE . 2.7 tt0 -156.48 -48.0 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 1.0 110.324 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -156.67 143.15 18.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.093 . . . . 1.0 110.327 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 618' ' ' LYS . . . . . 0.843 ' HG3' HG23 ' A' ' 612' ' ' THR . 9.5 tptt -119.96 -93.91 0.51 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.581 1.175 . . . . 1.0 109.354 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 619' ' ' CYS . . . . . 0.462 ' SG ' ' N ' ' A' ' 620' ' ' LEU . 42.0 t -159.26 161.75 36.01 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.521 1.138 . . . . 1.0 108.282 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 620' ' ' LEU . . . . . 1.093 ' CD1' HD12 ' A' ' 640' ' ' LEU . 0.3 OUTLIER -84.22 130.09 34.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.393 1.058 . . . . 1.0 109.317 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 621' ' ' LEU . . . . . 0.82 HD23 ' CG ' ' A' ' 610' ' ' GLU . 0.8 OUTLIER -92.86 157.07 16.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.459 1.099 . . . . 1.0 109.389 179.89 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 622' ' ' LEU . . . . . 0.903 HD12 HD21 ' A' ' 632' ' ' LEU . 0.3 OUTLIER -155.93 86.78 1.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 1.0 109.368 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 623' ' ' LYS . . . . . 0.415 ' HD3' ' HB2' ' A' ' 608' ' ' SER . 0.0 OUTLIER -87.91 138.87 31.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 1.0 109.322 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 624' ' ' ILE . . . . . 0.924 HG22 ' H ' ' A' ' 626' ' ' GLY . 79.1 mt -105.01 145.38 13.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.445 1.091 . . . . 1.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 625' ' ' ARG . . . . . 0.58 ' CB ' ' HG2' ' A' ' 607' ' ' GLN . 4.9 ptm180 -77.36 2.52 15.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 1.0 110.306 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 626' ' ' GLY . . . . . 0.924 ' H ' HG22 ' A' ' 624' ' ' ILE . . . -91.45 -16.59 52.42 Favored Glycine 0 CA--C 1.532 1.13 0 O-C-N 124.537 1.148 . . . . 1.0 110.975 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 106.51 42.13 1.64 Allowed Glycine 0 CA--C 1.53 1.012 0 N-CA-C 110.935 -0.866 . . . . 1.0 110.935 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 628' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -149.8 122.27 8.51 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.557 0.798 . . . . 1.0 109.325 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -101.87 147.55 26.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.573 1.171 . . . . 1.0 110.335 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 630' ' ' PHE . . . . . 0.613 ' CD2' ' HE2' ' A' ' 567' ' ' LYS . 12.1 m-85 -135.34 149.73 49.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.583 1.177 . . . . 1.0 111.009 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 631' ' ' ILE . . . . . 0.565 ' O ' ' CG2' ' A' ' 631' ' ' ILE . 0.1 OUTLIER -132.28 106.27 10.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.5 1.125 . . . . 1.0 109.309 179.952 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 632' ' ' LEU . . . . . 0.903 HD21 HD12 ' A' ' 622' ' ' LEU . 0.3 OUTLIER -114.13 143.69 44.38 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.441 1.088 . . . . 1.0 109.295 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 633' ' ' GLN . . . . . 0.584 ' CG ' ' OG ' ' A' ' 566' ' ' SER . 17.6 pt20 -122.85 178.52 5.0 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.46 1.1 . . . . 1.0 110.322 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 634' ' ' CYS . . . . . 0.551 ' HB3' HD23 ' A' ' 640' ' ' LEU . 23.9 p -152.6 165.33 35.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 1.0 108.289 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 635' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -99.05 -10.69 22.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.559 1.162 . . . . 1.0 109.274 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 636' ' ' SER . . . . . 0.52 ' CB ' ' HG3' ' A' ' 639' ' ' GLU . 0.4 OUTLIER -95.16 179.58 5.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.565 1.166 . . . . 1.0 110.026 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 637' ' ' ASP . . . . . 0.596 ' H ' ' HD2' ' A' ' 638' ' ' PRO . 0.4 OUTLIER -106.12 -57.13 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 1.0 109.251 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 638' ' ' PRO . . . . . 0.596 ' HD2' ' H ' ' A' ' 637' ' ' ASP . 18.4 Cg_endo -74.96 -40.83 0.79 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.562 1.822 . . . . 1.0 111.049 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 639' ' ' GLU . . . . . 0.55 ' C ' ' O ' ' A' ' 638' ' ' PRO . 10.8 mt-10 -25.79 -83.06 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.53 1.143 . . . . 1.0 110.326 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 640' ' ' LEU . . . . . 1.093 HD12 ' CD1' ' A' ' 620' ' ' LEU . 0.2 OUTLIER -48.41 -48.61 37.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 1.0 109.291 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 641' ' ' VAL . . . . . 0.536 HG12 ' N ' ' A' ' 642' ' ' GLN . 0.7 OUTLIER -43.08 -52.9 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 1.0 109.263 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 642' ' ' GLN . . . . . 0.536 ' N ' HG12 ' A' ' 641' ' ' VAL . 0.0 OUTLIER -68.17 -40.07 82.4 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.556 1.16 . . . . 1.0 110.33 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 643' ' ' TRP . . . . . 0.648 ' CZ3' ' CB ' ' A' ' 583' ' ' LEU . 45.7 m95 -58.47 -41.58 85.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.574 1.171 . . . . 1.0 108.018 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 644' ' ' LYS . . . . . 0.849 ' CD ' HG22 ' A' ' 609' ' ' VAL . 0.1 OUTLIER -62.22 -56.58 17.25 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 1.0 109.306 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 645' ' ' LYS . . . . . 0.442 ' CD ' ' OE1' ' A' ' 646' ' ' GLU . 2.6 tmtt? -41.63 -55.47 2.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 1.0 109.328 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 646' ' ' GLU . . . . . 0.971 ' HB3' HD21 ' A' ' 583' ' ' LEU . 0.3 OUTLIER -67.87 -34.61 77.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.571 1.169 . . . . 1.0 110.332 179.914 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 647' ' ' LEU . . . . . 0.888 HD22 ' CZ ' ' A' ' 651' ' ' TYR . 6.8 mt -63.93 -63.68 1.09 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.507 1.129 . . . . 1.0 109.324 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 648' ' ' ARG . . . . . 0.526 ' HG3' ' CG1' ' A' ' 609' ' ' VAL . 6.3 ttm180 -38.94 -52.8 1.78 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 1.0 110.304 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 649' ' ' ASP . . . . . 0.411 ' O ' ' HB2' ' A' ' 653' ' ' GLU . 24.4 t70 -62.97 -40.18 96.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 1.0 109.258 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 650' ' ' ALA . . . . . 0.618 ' HB1' ' SD ' ' A' ' 603' ' ' MET . . . -54.23 -49.16 70.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 1.0 109.255 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 651' ' ' TYR . . . . . 1.216 ' CD2' HG21 ' A' ' 606' ' ' ILE . 3.6 m-30 -75.5 -39.56 58.37 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.524 1.14 . . . . 1.0 111.002 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 652' ' ' ARG . . . . . 0.513 ' O ' ' HB2' ' A' ' 655' ' ' GLN . 0.0 OUTLIER -62.52 -61.28 2.54 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.597 1.186 . . . . 1.0 110.37 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 653' ' ' GLU . . . . . 0.6 ' O ' HD13 ' A' ' 657' ' ' LEU . 28.6 mt-10 -46.55 -57.25 4.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 1.0 110.269 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 654' ' ' ALA . . . . . 0.442 ' HB1' ' HB3' ' A' ' 604' ' ' GLU . . . -44.98 -37.38 3.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.569 1.168 . . . . 1.0 109.218 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 655' ' ' GLN . . . . . 0.637 ' HA ' HG12 ' A' ' 658' ' ' VAL . 57.7 mt-30 -72.1 -67.89 0.51 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.578 1.174 . . . . 1.0 110.27 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 656' ' ' GLN . . . . . 0.572 ' CG ' ' HA ' ' A' ' 653' ' ' GLU . 5.6 pt20 -51.62 -21.19 2.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 1.0 110.237 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 657' ' ' LEU . . . . . 0.6 HD13 ' O ' ' A' ' 653' ' ' GLU . 9.4 mp -87.16 -25.95 23.83 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.43 1.081 . . . . 1.0 109.367 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 658' ' ' VAL . . . . . 0.637 HG12 ' HA ' ' A' ' 655' ' ' GLN . 2.6 p -108.79 14.48 8.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.554 1.159 . . . . 1.0 109.329 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 659' ' ' GLN . . . . . 0.429 ' N ' ' O ' ' A' ' 655' ' ' GLN . 1.3 mt-30 -85.92 46.78 1.36 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.499 1.124 . . . . 1.0 110.313 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 660' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.74 14.88 7.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 1.0 110.26 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 661' ' ' VAL . . . . . . . . . . . . . 11.1 p -48.39 124.42 11.55 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 1.0 109.295 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 662' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 56.84 4.33 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.48 1.779 . . . . 1.0 111.012 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 42.88 62.83 1.65 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 1.0 109.344 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 664' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 38.43 83.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.419 1.074 . . . . 1.0 110.976 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 7.0 ttmt -100.78 -46.91 5.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 1.0 109.231 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 666' ' ' ASN . . . . . 0.421 ' O ' ' OG ' ' A' ' 670' ' ' SER . 1.7 m120 -65.01 -26.54 68.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 1.0 109.252 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . 0.409 ' HA ' ' HD3' ' A' ' 668' ' ' PRO . 0.0 OUTLIER 65.43 139.66 0.05 OUTLIER Pre-proline 0 C--N 1.323 -0.546 0 O-C-N 124.51 1.131 . . . . 1.0 109.33 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 668' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 667' ' ' LYS . 18.1 Cg_endo -75.05 -38.35 1.6 Allowed 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.561 1.822 . . . . 1.0 110.978 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 1.2 tpt85 -88.87 -56.31 3.34 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.414 1.072 . . . . 1.0 110.287 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 670' ' ' SER . . . . . 0.421 ' OG ' ' O ' ' A' ' 666' ' ' ASN . 67.0 m . . . . . 0 C--O 1.25 1.117 0 CA-C-O 117.004 -1.474 . . . . 1.0 110.015 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.06 0 N-CA-C 111.01 -0.836 . . . . 1.0 111.01 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 553' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.44 163.79 31.03 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.55 0.794 . . . . 1.0 110.038 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 554' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -103.17 174.79 5.71 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 1.0 109.573 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 555' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -113.97 -167.86 1.27 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.39 1.056 . . . . 1.0 111.005 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . -52.93 -171.54 0.03 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.55 1.156 . . . . 1.0 110.995 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 5.9 tttp -141.15 69.46 1.34 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 0.766 . . . . 1.0 109.308 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 558' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -155.19 110.3 3.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.566 1.166 . . . . 1.0 109.328 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 559' ' ' CYS . . . . . . . . . . . . . 40.1 t -69.35 144.48 53.46 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.502 1.126 . . . . 1.0 108.306 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 560' ' ' ILE . . . . . 0.638 HD11 ' HA ' ' A' ' 585' ' ' PRO . 12.1 mt -84.04 -62.18 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.425 1.078 . . . . 1.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 561' ' ' MET . . . . . 0.49 ' SD ' ' NE1' ' A' ' 643' ' ' TRP . 0.0 OUTLIER -131.12 135.96 47.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.551 1.157 . . . . 1.0 110.951 -179.905 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 562' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -135.74 142.91 45.06 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.498 1.124 . . . . 1.0 109.523 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 563' ' ' GLY . . . . . 0.516 ' O ' ' CD1' ' A' ' 580' ' ' TYR . . . 167.53 -161.9 35.69 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.492 1.12 . . . . 1.0 111.05 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 564' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -93.37 127.03 38.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.457 0.74 . . . . 1.0 111.002 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 565' ' ' MET . . . . . 0.583 ' HE1' ' CE3' ' A' ' 643' ' ' TRP . 0.0 OUTLIER -137.57 124.15 20.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.533 1.146 . . . . 1.0 110.969 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 566' ' ' SER . . . . . 0.474 ' O ' ' N ' ' A' ' 633' ' ' GLN . 0.5 OUTLIER -100.79 100.12 10.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 1.0 110.008 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 567' ' ' LYS . . . . . 0.498 ' CG ' ' N ' ' A' ' 568' ' ' MET . 0.0 OUTLIER -136.96 165.15 26.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 1.0 109.277 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 568' ' ' MET . . . . . 0.498 ' N ' ' CG ' ' A' ' 567' ' ' LYS . 0.0 OUTLIER -171.16 168.28 6.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 1.0 111.002 179.933 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 569' ' ' GLY . . . . . 0.419 ' C ' ' CG ' ' A' ' 570' ' ' ASN . . . -156.03 119.5 0.92 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.528 1.143 . . . . 1.0 110.991 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 570' ' ' ASN . . . . . 0.571 ' CB ' ' CD ' ' A' ' 571' ' ' PRO . 0.0 OUTLIER -166.06 -178.51 0.72 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.504 0.767 . . . . 1.0 109.336 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 571' ' ' PRO . . . . . 0.571 ' CD ' ' CB ' ' A' ' 570' ' ' ASN . 18.8 Cg_endo -74.93 21.96 0.42 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.402 1.738 . . . . 1.0 111.056 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 572' ' ' PHE . . . . . 0.504 ' H ' ' C ' ' A' ' 570' ' ' ASN . 16.0 m-85 -143.96 88.25 1.96 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.398 1.061 . . . . 1.0 110.948 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -84.86 84.62 7.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 1.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 574' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -161.61 -36.19 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.165 . . . . 1.0 110.433 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 575' ' ' GLN . . . . . 0.571 ' O ' ' CD1' ' A' ' 576' ' ' TRP . 29.4 pt20 -87.35 163.81 16.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.103 . . . . 1.0 110.221 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 576' ' ' TRP . . . . . 0.571 ' CD1' ' O ' ' A' ' 575' ' ' GLN . 3.2 m-90 -153.63 125.17 7.61 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 107.938 -1.134 . . . . 1.0 107.938 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 577' ' ' GLN . . . . . 0.458 ' O ' ' HA ' ' A' ' 566' ' ' SER . 3.9 tt0 -100.78 140.45 35.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.438 1.086 . . . . 1.0 110.333 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 578' ' ' ARG . . . . . . . . . . . . . 5.5 mtt180 -96.05 104.43 16.38 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 1.0 110.26 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 579' ' ' ARG . . . . . 0.497 ' O ' ' O ' ' A' ' 565' ' ' MET . 1.1 mtt180 -134.31 160.56 37.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 1.0 110.296 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 580' ' ' TYR . . . . . 0.516 ' CD1' ' O ' ' A' ' 563' ' ' GLY . 0.8 OUTLIER -89.57 125.74 35.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 1.0 111.078 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 581' ' ' PHE . . . . . 0.573 ' CD2' ' HB3' ' A' ' 590' ' ' TRP . 16.8 m-85 -114.13 171.17 7.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.408 1.067 . . . . 1.0 110.919 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 582' ' ' TYR . . . . . 0.476 ' O ' ' HA ' ' A' ' 588' ' ' LEU . 41.1 m-85 -143.83 118.96 10.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 1.0 111.06 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 583' ' ' LEU . . . . . 0.779 ' HB2' ' CZ3' ' A' ' 643' ' ' TRP . 6.3 tp -88.84 109.82 20.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 1.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 584' ' ' PHE . . . . . 0.484 ' CD2' ' HD2' ' A' ' 585' ' ' PRO . 0.6 OUTLIER -100.24 174.76 2.77 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.443 1.089 . . . . 1.0 111.019 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 585' ' ' PRO . . . . . 0.638 ' HA ' HD11 ' A' ' 560' ' ' ILE . 18.1 Cg_endo -75.07 9.97 1.88 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.486 1.782 . . . . 1.0 110.968 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 586' ' ' ASN . . . . . 0.729 ' O ' HG22 ' A' ' 602' ' ' THR . 6.9 m-20 179.17 -38.99 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 1.0 109.314 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 587' ' ' ARG . . . . . 0.561 ' HA ' ' HA ' ' A' ' 602' ' ' THR . 0.5 OUTLIER -87.52 -170.49 3.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 1.0 110.278 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 588' ' ' LEU . . . . . 0.593 ' C ' HD12 ' A' ' 588' ' ' LEU . 0.1 OUTLIER -175.99 112.97 0.12 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.43 1.081 . . . . 1.0 109.232 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 589' ' ' GLU . . . . . 0.739 ' CG ' HD12 ' A' ' 600' ' ' LEU . 12.2 mt-10 -102.57 147.38 26.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.429 1.081 . . . . 1.0 110.221 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 590' ' ' TRP . . . . . 0.573 ' HB3' ' CD2' ' A' ' 581' ' ' PHE . 1.2 p-90 -153.51 119.17 5.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 1.0 108.064 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 591' ' ' ARG . . . . . 0.491 ' NH1' ' O ' ' A' ' 597' ' ' PRO . 3.1 mmt180 -140.11 -174.27 3.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 1.0 110.234 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . -176.74 173.79 46.55 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.5 1.125 . . . . 1.0 111.017 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.02 142.78 54.51 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.583 0.814 . . . . 1.0 110.337 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . 123.24 -135.8 10.15 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.525 1.141 . . . . 1.0 111.02 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 595' ' ' GLU . . . . . 0.502 ' O ' ' HB2' ' A' ' 596' ' ' ALA . 0.5 OUTLIER -137.83 139.48 39.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 0.729 . . . . 1.0 110.232 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 596' ' ' ALA . . . . . 0.502 ' HB2' ' O ' ' A' ' 595' ' ' GLU . . . 175.62 160.62 0.41 Allowed Pre-proline 0 C--N 1.326 -0.419 0 O-C-N 124.551 1.157 . . . . 1.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 597' ' ' PRO . . . . . 0.491 ' O ' ' NH1' ' A' ' 591' ' ' ARG . 18.3 Cg_endo -74.96 -173.36 1.53 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.394 1.734 . . . . 1.0 111.03 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 598' ' ' GLN . . . . . 0.443 ' HA ' ' CZ ' ' A' ' 591' ' ' ARG . 11.2 pt20 -84.74 131.24 34.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 1.0 110.315 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 599' ' ' SER . . . . . 0.525 ' OG ' ' CZ2' ' A' ' 590' ' ' TRP . 0.1 OUTLIER -124.38 100.22 6.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 1.0 109.985 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 600' ' ' LEU . . . . . 0.739 HD12 ' CG ' ' A' ' 589' ' ' GLU . 0.2 OUTLIER -136.66 82.82 1.96 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.612 1.195 . . . . 1.0 109.3 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -84.3 -172.17 4.02 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.476 1.11 . . . . 1.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 602' ' ' THR . . . . . 0.729 HG22 ' O ' ' A' ' 586' ' ' ASN . 0.1 OUTLIER -118.93 -170.85 1.99 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 1.0 110.463 179.933 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 603' ' ' MET . . . . . 0.803 ' SD ' ' HB1' ' A' ' 650' ' ' ALA . 0.2 OUTLIER -125.96 37.36 4.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 1.0 110.961 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 604' ' ' GLU . . . . . 0.572 ' HB3' ' HB1' ' A' ' 654' ' ' ALA . 8.1 pt-20 -124.59 59.64 1.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.568 1.168 . . . . 1.0 110.312 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 605' ' ' GLU . . . . . 0.459 ' O ' ' CG ' ' A' ' 625' ' ' ARG . 2.5 pt-20 -158.9 -48.9 0.06 Allowed 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.499 1.125 . . . . 1.0 110.37 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 606' ' ' ILE . . . . . 1.291 HG21 ' CD2' ' A' ' 651' ' ' TYR . 0.9 OUTLIER -39.7 140.6 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.564 1.165 . . . . 1.0 109.323 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 607' ' ' GLN . . . . . 0.601 ' HG2' ' CB ' ' A' ' 625' ' ' ARG . 0.5 OUTLIER -91.01 -38.79 12.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 1.0 110.346 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 608' ' ' SER . . . . . 0.431 ' HB2' ' HD3' ' A' ' 623' ' ' LYS . 1.1 m -175.1 132.96 0.31 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 1.0 109.969 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 609' ' ' VAL . . . . . 0.967 HG22 ' CD ' ' A' ' 644' ' ' LYS . 6.3 p -104.47 139.7 24.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.486 1.116 . . . . 1.0 109.349 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 610' ' ' GLU . . . . . 0.931 ' CD ' HD23 ' A' ' 621' ' ' LEU . 0.7 OUTLIER -159.43 -171.87 3.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.115 . . . . 1.0 110.236 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 611' ' ' GLU . . . . . 0.648 ' HA ' ' HA ' ' A' ' 620' ' ' LEU . 25.2 tt0 -138.75 143.73 39.14 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.488 1.118 . . . . 1.0 110.283 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 612' ' ' THR . . . . . 0.832 HG23 ' HG3' ' A' ' 618' ' ' LYS . 0.0 OUTLIER -107.31 165.26 11.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 1.0 110.364 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -129.58 159.17 37.18 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.394 1.058 . . . . 1.0 110.314 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 614' ' ' ILE . . . . . 0.788 HG22 ' O ' ' A' ' 614' ' ' ILE . 0.1 OUTLIER -145.97 84.19 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 1.0 109.288 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 615' ' ' LYS . . . . . 0.418 ' HB2' ' O ' ' A' ' 614' ' ' ILE . 35.5 mmtt 81.8 -33.59 0.1 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.498 1.124 . . . . 1.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 616' ' ' GLU . . . . . 0.444 ' H ' ' C ' ' A' ' 614' ' ' ILE . 2.3 tt0 -156.0 -48.63 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.159 . . . . 1.0 110.311 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -157.5 137.74 12.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 1.0 110.276 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 618' ' ' LYS . . . . . 0.832 ' HG3' HG23 ' A' ' 612' ' ' THR . 0.4 OUTLIER -115.09 -95.98 0.46 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 1.0 109.266 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 619' ' ' CYS . . . . . 0.501 ' O ' ' CG ' ' A' ' 611' ' ' GLU . 17.2 m -158.39 -175.97 5.63 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.547 1.154 . . . . 1.0 108.289 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 620' ' ' LEU . . . . . 1.084 ' CD1' HD12 ' A' ' 640' ' ' LEU . 0.2 OUTLIER -101.61 130.12 47.87 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.323 1.015 . . . . 1.0 109.248 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 621' ' ' LEU . . . . . 0.931 HD23 ' CD ' ' A' ' 610' ' ' GLU . 2.8 tp -86.13 161.0 19.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.095 . . . . 1.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 622' ' ' LEU . . . . . 1.016 HD12 HD21 ' A' ' 632' ' ' LEU . 0.9 OUTLIER -158.98 83.05 0.79 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 1.0 109.28 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 623' ' ' LYS . . . . . 0.431 ' HD3' ' HB2' ' A' ' 608' ' ' SER . 0.0 OUTLIER -85.78 140.11 30.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 1.0 109.242 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 624' ' ' ILE . . . . . 0.984 HG22 ' H ' ' A' ' 626' ' ' GLY . 92.1 mt -105.53 145.13 14.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.088 . . . . 1.0 109.343 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 625' ' ' ARG . . . . . 0.601 ' CB ' ' HG2' ' A' ' 607' ' ' GLN . 3.1 ptm180 -78.37 3.02 16.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 1.0 110.263 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 626' ' ' GLY . . . . . 0.984 ' H ' HG22 ' A' ' 624' ' ' ILE . . . -90.23 -13.43 60.27 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.534 1.146 . . . . 1.0 111.027 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 106.69 43.21 1.46 Allowed Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.999 -0.84 . . . . 1.0 110.999 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 628' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -147.45 164.37 33.57 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 0.788 . . . . 1.0 109.247 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 63.5 mt-30 -135.0 147.44 49.7 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.554 1.159 . . . . 1.0 110.34 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 630' ' ' PHE . . . . . 0.491 ' CD2' ' NZ ' ' A' ' 567' ' ' LYS . 1.3 m-85 -136.04 161.94 34.29 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.546 1.154 . . . . 1.0 110.964 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 631' ' ' ILE . . . . . . . . . . . . . 2.2 mm -134.01 140.03 47.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 O-C-N 124.612 1.195 . . . . 1.0 109.344 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 632' ' ' LEU . . . . . 1.016 HD21 HD12 ' A' ' 622' ' ' LEU . 0.4 OUTLIER -124.29 157.38 35.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 1.0 109.313 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 633' ' ' GLN . . . . . 0.474 ' N ' ' O ' ' A' ' 566' ' ' SER . 30.3 tp60 -155.82 140.17 16.7 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 1.0 110.303 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 634' ' ' CYS . . . . . 0.69 ' HB2' HD23 ' A' ' 640' ' ' LEU . 0.1 OUTLIER -149.35 169.25 21.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 1.0 108.213 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 635' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -94.66 -18.67 21.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.568 1.167 . . . . 1.0 109.283 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 636' ' ' SER . . . . . 0.575 ' CB ' ' CG ' ' A' ' 639' ' ' GLU . 0.6 OUTLIER -87.74 139.97 29.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.602 1.189 . . . . 1.0 110.018 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 637' ' ' ASP . . . . . 0.63 ' N ' ' CD ' ' A' ' 638' ' ' PRO . 0.2 OUTLIER -79.94 -44.55 1.5 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.15 . . . . 1.0 109.179 -179.918 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 638' ' ' PRO . . . . . 0.63 ' CD ' ' N ' ' A' ' 637' ' ' ASP . 18.4 Cg_endo -74.99 -52.35 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.392 1.733 . . . . 1.0 111.044 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 639' ' ' GLU . . . . . 0.575 ' CG ' ' CB ' ' A' ' 636' ' ' SER . 32.9 mm-40 -26.02 -76.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 1.0 110.232 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 640' ' ' LEU . . . . . 1.084 HD12 ' CD1' ' A' ' 620' ' ' LEU . 0.3 OUTLIER -53.4 -48.33 68.77 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.41 1.069 . . . . 1.0 109.283 -179.897 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 641' ' ' VAL . . . . . 0.599 HG12 ' N ' ' A' ' 642' ' ' GLN . 0.7 OUTLIER -45.39 -56.67 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 124.426 1.079 . . . . 1.0 109.296 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 642' ' ' GLN . . . . . 0.599 ' N ' HG12 ' A' ' 641' ' ' VAL . 0.0 OUTLIER -64.34 -40.23 95.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 1.0 110.302 -179.921 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 643' ' ' TRP . . . . . 0.779 ' CZ3' ' HB2' ' A' ' 583' ' ' LEU . 18.7 m95 -56.33 -48.03 77.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 1.0 108.029 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 644' ' ' LYS . . . . . 0.967 ' CD ' HG22 ' A' ' 609' ' ' VAL . 0.0 OUTLIER -57.72 -57.68 11.68 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.478 1.111 . . . . 1.0 109.299 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 645' ' ' LYS . . . . . 0.404 ' CD ' ' OE1' ' A' ' 646' ' ' GLU . 0.0 OUTLIER -41.38 -54.88 2.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.653 1.221 . . . . 1.0 109.344 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 646' ' ' GLU . . . . . 0.599 ' CB ' HD23 ' A' ' 583' ' ' LEU . 0.1 OUTLIER -70.35 -30.13 66.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 1.0 110.322 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 647' ' ' LEU . . . . . 0.641 ' HG ' HD11 ' A' ' 583' ' ' LEU . 0.7 OUTLIER -70.0 -62.93 1.19 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.543 1.152 . . . . 1.0 109.316 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 648' ' ' ARG . . . . . 0.555 ' N ' ' O ' ' A' ' 644' ' ' LYS . 4.9 ttt85 -39.12 -54.6 1.73 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 1.0 110.243 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 649' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -61.52 -47.89 83.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 1.0 109.362 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 650' ' ' ALA . . . . . 0.803 ' HB1' ' SD ' ' A' ' 603' ' ' MET . . . -46.97 -47.24 21.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 1.0 109.354 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 651' ' ' TYR . . . . . 1.291 ' CD2' HG21 ' A' ' 606' ' ' ILE . 22.2 m-30 -76.42 -39.04 54.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.441 1.088 . . . . 1.0 110.985 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 652' ' ' ARG . . . . . 0.497 ' O ' ' HB2' ' A' ' 655' ' ' GLN . 2.8 mtt180 -62.97 -61.11 2.62 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.578 1.174 . . . . 1.0 110.306 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 653' ' ' GLU . . . . . 0.631 ' O ' HD13 ' A' ' 657' ' ' LEU . 6.3 mt-10 -47.68 -57.67 5.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.572 1.17 . . . . 1.0 110.324 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 654' ' ' ALA . . . . . 0.572 ' HB1' ' HB3' ' A' ' 604' ' ' GLU . . . -44.45 -37.59 3.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.426 1.079 . . . . 1.0 109.311 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 655' ' ' GLN . . . . . 0.541 ' HA ' HG12 ' A' ' 658' ' ' VAL . 52.1 mt-30 -71.6 -67.59 0.51 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.434 1.084 . . . . 1.0 110.297 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 656' ' ' GLN . . . . . 0.583 ' CG ' ' HA ' ' A' ' 653' ' ' GLU . 4.3 pt20 -52.07 -19.73 2.07 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 1.0 110.28 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 657' ' ' LEU . . . . . 0.631 HD13 ' O ' ' A' ' 653' ' ' GLU . 9.7 mp -86.49 -26.76 24.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.408 1.068 . . . . 1.0 109.325 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 658' ' ' VAL . . . . . 0.742 ' O ' HG13 ' A' ' 661' ' ' VAL . 4.4 p -109.99 12.94 8.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 1.0 109.373 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 659' ' ' GLN . . . . . 0.457 ' O ' HG22 ' A' ' 661' ' ' VAL . 0.0 OUTLIER -65.69 -53.05 46.32 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.437 1.085 . . . . 1.0 110.387 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 660' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.6 66.51 0.13 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.468 1.105 . . . . 1.0 110.339 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 661' ' ' VAL . . . . . 0.742 HG13 ' O ' ' A' ' 658' ' ' VAL . 2.3 m -77.02 160.56 75.97 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 1.0 109.311 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 662' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -178.64 4.31 Favored 'Trans proline' 0 C--N 1.359 1.089 0 O-C-N 124.486 1.782 . . . . 1.0 110.942 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.7 -62.13 1.6 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.509 1.131 . . . . 1.0 109.329 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 664' ' ' MET . . . . . . . . . . . . . 1.1 ttp -159.69 82.7 0.74 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 1.0 110.946 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.87 62.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 1.0 109.355 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 666' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -97.12 -51.99 4.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 1.0 109.317 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . 0.418 ' HA ' ' HD3' ' A' ' 668' ' ' PRO . 0.0 OUTLIER -119.42 132.45 24.0 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 1.0 109.365 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 668' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 667' ' ' LYS . 18.4 Cg_endo -74.92 -37.31 2.14 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.478 1.778 . . . . 1.0 110.986 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 65.73 161.14 0.14 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.504 1.128 . . . . 1.0 110.328 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 31.2 p . . . . . 0 C--O 1.251 1.147 0 CA-C-O 117.021 -1.466 . . . . 1.0 110.047 179.928 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.07 0 N-CA-C 110.97 -0.852 . . . . 1.0 110.97 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 553' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -178.76 152.28 0.6 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 0.741 . . . . 1.0 110.0 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 554' ' ' HIS . . . . . . . . . . . . . 2.9 p-80 -175.87 110.66 0.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.55 1.156 . . . . 1.0 109.57 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 555' ' ' MET . . . . . 0.548 ' HG3' ' CZ ' ' A' ' 587' ' ' ARG . 0.0 OUTLIER -159.14 142.03 14.31 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.474 1.108 . . . . 1.0 110.989 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . -108.6 177.63 20.7 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.483 1.115 . . . . 1.0 110.974 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.83 48.93 0.79 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 0.776 . . . . 1.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 558' ' ' ASP . . . . . 0.426 ' O ' ' HG3' ' A' ' 585' ' ' PRO . 1.6 t70 -154.99 99.97 2.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.574 1.171 . . . . 1.0 109.216 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 559' ' ' CYS . . . . . . . . . . . . . 36.5 t -69.38 139.95 54.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.601 1.188 . . . . 1.0 108.297 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 560' ' ' ILE . . . . . 0.922 HD11 ' HA ' ' A' ' 585' ' ' PRO . 10.6 mt -85.75 -61.11 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.607 1.192 . . . . 1.0 109.242 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 561' ' ' MET . . . . . 0.452 ' SD ' ' CD1' ' A' ' 643' ' ' TRP . 0.0 OUTLIER -139.65 137.01 34.91 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.598 1.186 . . . . 1.0 110.989 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 562' ' ' HIS . . . . . 0.478 ' HB2' ' CE1' ' A' ' 582' ' ' TYR . 9.6 p-80 -140.65 162.03 36.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 1.0 109.551 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 563' ' ' GLY . . . . . 0.54 ' HA2' ' CZ ' ' A' ' 580' ' ' TYR . . . 146.97 -159.78 28.1 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.427 1.08 . . . . 1.0 111.104 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 564' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -85.3 126.51 33.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 0.779 . . . . 1.0 111.08 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 565' ' ' MET . . . . . 0.641 ' O ' ' O ' ' A' ' 579' ' ' ARG . 0.0 OUTLIER -140.88 122.12 14.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 1.0 111.025 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 566' ' ' SER . . . . . 0.403 ' HB2' ' HA ' ' A' ' 578' ' ' ARG . 0.9 OUTLIER -85.26 130.67 34.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 1.0 110.03 -179.949 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 567' ' ' LYS . . . . . 0.554 ' HE2' ' CZ ' ' A' ' 581' ' ' PHE . 7.3 ttpt -146.55 157.33 43.71 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 1.0 109.326 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 568' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 174.62 167.33 0.26 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 1.0 111.013 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 569' ' ' GLY . . . . . . . . . . . . . . . -178.34 123.1 0.85 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.482 1.114 . . . . 1.0 110.931 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 570' ' ' ASN . . . . . 0.579 ' CB ' ' CD ' ' A' ' 571' ' ' PRO . 0.0 OUTLIER -165.2 -178.06 0.71 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.511 0.771 . . . . 1.0 109.34 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 571' ' ' PRO . . . . . 0.579 ' CD ' ' CB ' ' A' ' 570' ' ' ASN . 18.2 Cg_endo -75.01 22.85 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.547 1.814 . . . . 1.0 111.053 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 572' ' ' PHE . . . . . 0.502 ' H ' ' C ' ' A' ' 570' ' ' ASN . 28.2 m-85 -143.92 85.11 1.8 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.607 1.192 . . . . 1.0 110.981 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -87.87 86.75 7.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 1.0 109.252 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 574' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -159.96 -21.95 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 1.0 110.353 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 575' ' ' GLN . . . . . 0.594 ' O ' ' CD1' ' A' ' 576' ' ' TRP . 14.8 pt20 -99.51 178.98 4.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 1.0 110.266 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 576' ' ' TRP . . . . . 0.594 ' CD1' ' O ' ' A' ' 575' ' ' GLN . 27.3 m0 -145.96 136.33 23.96 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.011 -1.107 . . . . 1.0 108.011 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.21 114.82 24.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.414 1.071 . . . . 1.0 110.334 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 578' ' ' ARG . . . . . 0.417 ' NH1' ' HB3' ' A' ' 576' ' ' TRP . 0.0 OUTLIER -93.96 117.69 30.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 1.0 110.322 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 579' ' ' ARG . . . . . 0.808 ' NH1' ' HB3' ' A' ' 596' ' ' ALA . 16.1 mtp180 -141.77 165.64 26.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.341 1.025 . . . . 1.0 110.255 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 580' ' ' TYR . . . . . 0.54 ' CZ ' ' HA2' ' A' ' 563' ' ' GLY . 1.0 OUTLIER -96.45 126.03 41.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.409 1.068 . . . . 1.0 111.035 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 581' ' ' PHE . . . . . 0.554 ' CZ ' ' HE2' ' A' ' 567' ' ' LYS . 10.8 m-85 -118.64 176.39 5.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.15 . . . . 1.0 110.985 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 582' ' ' TYR . . . . . 0.478 ' CE1' ' HB2' ' A' ' 562' ' ' HIS . 0.4 OUTLIER -150.56 107.89 3.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 1.0 111.039 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 583' ' ' LEU . . . . . 0.872 ' O ' HD23 ' A' ' 583' ' ' LEU . 0.4 OUTLIER -87.88 113.7 23.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 1.0 109.282 -179.928 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 584' ' ' PHE . . . . . 0.671 ' CD2' ' HD2' ' A' ' 585' ' ' PRO . 0.1 OUTLIER -94.98 -177.02 0.61 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.425 1.078 . . . . 1.0 111.031 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 585' ' ' PRO . . . . . 0.922 ' HA ' HD11 ' A' ' 560' ' ' ILE . 18.2 Cg_endo -74.95 14.55 0.83 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.509 1.794 . . . . 1.0 111.077 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 586' ' ' ASN . . . . . 1.043 ' O ' ' HG3' ' A' ' 603' ' ' MET . 19.2 m-20 171.95 -44.97 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.442 1.089 . . . . 1.0 109.361 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 587' ' ' ARG . . . . . 0.628 ' O ' ' HB2' ' A' ' 584' ' ' PHE . 0.0 OUTLIER -93.41 -173.19 3.14 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.483 1.114 . . . . 1.0 110.295 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 588' ' ' LEU . . . . . 0.62 HD12 ' N ' ' A' ' 589' ' ' GLU . 0.1 OUTLIER -166.99 142.5 4.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 1.0 109.303 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 589' ' ' GLU . . . . . 0.62 ' N ' HD12 ' A' ' 588' ' ' LEU . 33.5 tt0 -124.23 133.67 53.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 1.0 110.329 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 590' ' ' TRP . . . . . 0.553 ' CE3' ' HB2' ' A' ' 598' ' ' GLN . 2.9 p-90 -80.75 147.27 30.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 1.0 108.028 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 591' ' ' ARG . . . . . 0.481 ' N ' ' O ' ' A' ' 580' ' ' TYR . 0.1 OUTLIER -144.73 154.69 43.01 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.523 1.139 . . . . 1.0 110.303 -179.894 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . 144.22 171.05 13.98 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.536 1.147 . . . . 1.0 110.973 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 593' ' ' GLU . . . . . 0.47 ' O ' ' NH2' ' A' ' 579' ' ' ARG . 0.6 OUTLIER -88.23 175.39 7.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.563 0.802 . . . . 1.0 110.336 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . 65.3 -122.47 23.39 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.493 1.12 . . . . 1.0 110.987 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 595' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -170.4 163.72 8.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.555 0.797 . . . . 1.0 110.303 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 596' ' ' ALA . . . . . 0.808 ' HB3' ' NH1' ' A' ' 579' ' ' ARG . . . -177.27 168.55 1.16 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.435 1.085 . . . . 1.0 109.303 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 597' ' ' PRO . . . . . 0.614 ' HD2' ' HB1' ' A' ' 596' ' ' ALA . 18.3 Cg_endo -74.99 82.49 1.99 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.536 1.808 . . . . 1.0 111.025 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 598' ' ' GLN . . . . . 0.553 ' HB2' ' CE3' ' A' ' 590' ' ' TRP . 4.8 mt-30 -145.51 164.61 31.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 1.0 110.281 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 599' ' ' SER . . . . . 0.529 ' O ' ' CD1' ' A' ' 590' ' ' TRP . 6.0 m -155.51 -146.38 0.18 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.48 1.112 . . . . 1.0 109.923 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 600' ' ' LEU . . . . . 0.495 ' HA ' ' O ' ' A' ' 588' ' ' LEU . 0.9 OUTLIER -130.84 80.67 1.96 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 1.0 109.268 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 4.1 mt -82.41 -171.13 3.29 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.128 . . . . 1.0 109.219 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 602' ' ' THR . . . . . 0.472 HG22 ' O ' ' A' ' 586' ' ' ASN . 0.2 OUTLIER -117.89 -147.93 0.42 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 1.0 110.461 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 603' ' ' MET . . . . . 1.043 ' HG3' ' O ' ' A' ' 586' ' ' ASN . 0.0 OUTLIER -135.99 41.7 2.65 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.545 1.153 . . . . 1.0 110.999 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 604' ' ' GLU . . . . . 0.406 ' O ' ' HG3' ' A' ' 604' ' ' GLU . 14.2 pt-20 -124.8 55.84 1.33 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.542 1.151 . . . . 1.0 110.382 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 605' ' ' GLU . . . . . 0.613 ' HB2' HG23 ' A' ' 624' ' ' ILE . 3.2 pt-20 -158.22 -55.62 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 1.0 110.29 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 606' ' ' ILE . . . . . 1.167 HG21 ' CD2' ' A' ' 651' ' ' TYR . 1.3 mp -35.82 130.38 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.426 1.079 . . . . 1.0 109.309 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 607' ' ' GLN . . . . . 0.551 ' CG ' ' CB ' ' A' ' 625' ' ' ARG . 0.0 OUTLIER -87.64 -36.07 17.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 1.0 110.391 179.91 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 2.7 m -173.29 139.27 0.77 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.563 1.164 . . . . 1.0 110.023 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 609' ' ' VAL . . . . . 0.915 HG22 ' CD ' ' A' ' 644' ' ' LYS . 2.7 p -108.75 135.55 47.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.454 1.096 . . . . 1.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 610' ' ' GLU . . . . . 0.795 ' HG3' HD23 ' A' ' 621' ' ' LEU . 0.5 OUTLIER -152.54 -170.17 3.56 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.48 1.112 . . . . 1.0 110.301 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 611' ' ' GLU . . . . . 0.505 ' HA ' ' HA ' ' A' ' 620' ' ' LEU . 22.2 tt0 -141.01 144.67 35.15 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.498 1.123 . . . . 1.0 110.291 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 612' ' ' THR . . . . . 0.838 HG23 ' HG3' ' A' ' 618' ' ' LYS . 0.0 OUTLIER -108.21 165.44 11.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 1.0 110.394 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 7.6 mp0 -128.32 160.22 32.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 1.0 110.323 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 614' ' ' ILE . . . . . 0.795 HG22 ' O ' ' A' ' 614' ' ' ILE . 0.1 OUTLIER -144.57 81.37 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.574 1.172 . . . . 1.0 109.24 -179.921 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 615' ' ' LYS . . . . . 0.449 ' HB2' ' O ' ' A' ' 614' ' ' ILE . 7.1 mmtt 80.76 -30.23 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 1.0 109.374 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 616' ' ' GLU . . . . . 0.46 ' H ' ' C ' ' A' ' 614' ' ' ILE . 1.0 OUTLIER -157.12 -48.83 0.07 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.502 1.126 . . . . 1.0 110.257 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 617' ' ' ARG . . . . . 0.446 ' NH2' ' OD1' ' A' ' 637' ' ' ASP . 0.0 OUTLIER -157.97 136.76 11.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.115 . . . . 1.0 110.335 179.945 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 618' ' ' LYS . . . . . 0.838 ' HG3' HG23 ' A' ' 612' ' ' THR . 11.0 tptt -113.72 -98.96 0.43 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.577 1.173 . . . . 1.0 109.325 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 619' ' ' CYS . . . . . 0.481 ' SG ' ' HB2' ' A' ' 633' ' ' GLN . 96.3 m -156.04 -176.78 6.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.443 1.089 . . . . 1.0 108.227 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 620' ' ' LEU . . . . . 1.07 ' CD1' HD12 ' A' ' 640' ' ' LEU . 0.3 OUTLIER -97.24 135.47 39.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.152 . . . . 1.0 109.306 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 621' ' ' LEU . . . . . 0.808 HD12 ' H ' ' A' ' 622' ' ' LEU . 2.3 tp -93.98 160.17 14.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.408 1.067 . . . . 1.0 109.17 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 622' ' ' LEU . . . . . 1.042 HD13 HD21 ' A' ' 632' ' ' LEU . 0.0 OUTLIER -158.03 79.92 0.84 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.396 1.06 . . . . 1.0 109.277 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 623' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.82 138.07 37.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 1.0 109.212 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 624' ' ' ILE . . . . . 0.983 HG22 ' H ' ' A' ' 626' ' ' GLY . 45.3 mt -104.22 144.17 14.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 1.0 109.312 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 625' ' ' ARG . . . . . 0.551 ' CB ' ' CG ' ' A' ' 607' ' ' GLN . 4.1 ptm180 -79.07 3.56 17.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 1.0 110.221 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 626' ' ' GLY . . . . . 0.983 ' H ' HG22 ' A' ' 624' ' ' ILE . . . -88.98 -19.54 50.55 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.457 1.098 . . . . 1.0 111.039 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 115.02 38.62 1.02 Allowed Glycine 0 CA--C 1.53 0.993 0 N-CA-C 111.024 -0.831 . . . . 1.0 111.024 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 628' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -142.94 170.9 14.83 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 0.772 . . . . 1.0 109.25 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -142.89 136.48 28.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 1.0 110.322 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 630' ' ' PHE . . . . . 0.448 ' O ' ' N ' ' A' ' 622' ' ' LEU . 0.4 OUTLIER -122.49 148.37 45.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.147 . . . . 1.0 110.992 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 631' ' ' ILE . . . . . 0.504 HG22 ' O ' ' A' ' 631' ' ' ILE . 0.0 OUTLIER -134.8 111.02 13.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 1.0 109.363 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 632' ' ' LEU . . . . . 1.042 HD21 HD13 ' A' ' 622' ' ' LEU . 0.2 OUTLIER -121.41 157.96 29.37 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.495 1.122 . . . . 1.0 109.316 -179.945 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 633' ' ' GLN . . . . . 0.532 ' HG3' ' N ' ' A' ' 634' ' ' CYS . 25.3 tp60 -149.47 162.11 40.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 1.0 110.302 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 634' ' ' CYS . . . . . 0.532 ' N ' ' HG3' ' A' ' 633' ' ' GLN . 0.8 OUTLIER -143.04 144.34 32.24 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 1.0 108.316 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 635' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.49 -21.22 66.61 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.541 1.151 . . . . 1.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 636' ' ' SER . . . . . 0.519 ' HB2' ' CB ' ' A' ' 639' ' ' GLU . 4.1 m -89.62 160.09 16.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.091 . . . . 1.0 110.024 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 637' ' ' ASP . . . . . 0.626 ' N ' ' CD ' ' A' ' 638' ' ' PRO . 0.2 OUTLIER -89.54 -44.93 0.42 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 1.0 109.298 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 638' ' ' PRO . . . . . 0.626 ' CD ' ' N ' ' A' ' 637' ' ' ASP . 18.4 Cg_endo -74.98 -56.23 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.428 1.752 . . . . 1.0 111.022 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 639' ' ' GLU . . . . . 0.595 ' C ' ' O ' ' A' ' 638' ' ' PRO . 4.7 tt0 -20.7 -82.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.596 1.185 . . . . 1.0 110.342 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 640' ' ' LEU . . . . . 1.07 HD12 ' CD1' ' A' ' 620' ' ' LEU . 0.1 OUTLIER -49.74 -48.49 50.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.156 . . . . 1.0 109.275 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 641' ' ' VAL . . . . . 0.589 HG12 ' N ' ' A' ' 642' ' ' GLN . 0.8 OUTLIER -45.19 -55.59 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 1.0 109.345 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 642' ' ' GLN . . . . . 0.589 ' N ' HG12 ' A' ' 641' ' ' VAL . 0.0 OUTLIER -63.79 -40.41 96.59 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.486 1.117 . . . . 1.0 110.282 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 643' ' ' TRP . . . . . 0.544 ' CZ3' ' CB ' ' A' ' 583' ' ' LEU . 34.8 m95 -55.76 -44.28 77.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 1.0 107.934 -179.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 644' ' ' LYS . . . . . 0.915 ' CD ' HG22 ' A' ' 609' ' ' VAL . 12.5 ttpt -61.28 -60.91 3.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.563 1.164 . . . . 1.0 109.355 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 645' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 644' ' ' LYS . 0.0 OUTLIER -38.38 -53.46 1.51 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 1.0 109.312 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 646' ' ' GLU . . . . . 0.554 ' HG2' HG22 ' A' ' 560' ' ' ILE . 0.4 OUTLIER -72.46 -30.53 64.64 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.426 1.079 . . . . 1.0 110.238 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 647' ' ' LEU . . . . . 0.93 HD22 ' OH ' ' A' ' 651' ' ' TYR . 11.4 mt -70.52 -60.16 2.42 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.459 1.099 . . . . 1.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 648' ' ' ARG . . . . . 0.569 ' N ' ' O ' ' A' ' 644' ' ' LYS . 11.1 ttm180 -40.81 -55.06 2.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 1.0 110.355 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 649' ' ' ASP . . . . . 0.415 ' OD1' ' CD ' ' A' ' 653' ' ' GLU . 33.7 t0 -57.71 -46.48 84.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.46 1.1 . . . . 1.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 650' ' ' ALA . . . . . 0.519 ' O ' ' SD ' ' A' ' 603' ' ' MET . . . -48.89 -50.36 35.36 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.512 1.133 . . . . 1.0 109.234 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 651' ' ' TYR . . . . . 1.167 ' CD2' HG21 ' A' ' 606' ' ' ILE . 2.7 m-30 -72.36 -37.21 68.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 1.0 110.954 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 652' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 655' ' ' GLN . 17.3 mtt180 -64.02 -64.99 0.74 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.417 1.073 . . . . 1.0 110.255 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 653' ' ' GLU . . . . . 0.529 ' O ' ' N ' ' A' ' 657' ' ' LEU . 0.1 OUTLIER -41.16 -55.45 2.63 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.456 1.098 . . . . 1.0 110.284 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 654' ' ' ALA . . . . . 0.943 ' HB2' ' SD ' ' A' ' 603' ' ' MET . . . -47.82 -39.88 19.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 1.0 109.255 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 655' ' ' GLN . . . . . 0.494 ' HA ' HG12 ' A' ' 658' ' ' VAL . 91.2 mt-30 -70.36 -69.52 0.35 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.496 1.122 . . . . 1.0 110.249 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 656' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -52.81 -20.63 3.39 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.541 1.15 . . . . 1.0 110.301 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 657' ' ' LEU . . . . . 0.529 ' N ' ' O ' ' A' ' 653' ' ' GLU . 39.5 mt -88.14 -22.02 24.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 1.0 109.346 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 658' ' ' VAL . . . . . 0.494 HG12 ' HA ' ' A' ' 655' ' ' GLN . 0.6 OUTLIER -115.78 15.49 7.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.407 1.067 . . . . 1.0 109.384 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 659' ' ' GLN . . . . . 0.479 ' N ' ' O ' ' A' ' 655' ' ' GLN . 0.0 OUTLIER -75.43 -59.18 2.86 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.44 1.087 . . . . 1.0 110.322 179.949 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 660' ' ' ARG . . . . . . . . . . . . . 68.4 mtt180 -67.81 65.75 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 1.0 110.337 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 661' ' ' VAL . . . . . 0.437 ' N ' ' O ' ' A' ' 659' ' ' GLN . 68.0 t -71.51 127.64 90.88 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 1.0 109.358 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 662' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 661' ' ' VAL . 18.1 Cg_endo -75.0 111.46 3.33 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.501 1.79 . . . . 1.0 110.983 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 15.0 tttt -82.24 -61.63 1.85 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.158 . . . . 1.0 109.348 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 664' ' ' MET . . . . . . . . . . . . . 27.0 mmt -71.9 -9.74 58.77 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 1.0 110.977 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 665' ' ' LYS . . . . . 0.465 ' HD2' ' CG ' ' A' ' 668' ' ' PRO . 2.2 mmtm 67.73 83.09 0.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 1.0 109.238 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 666' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -90.93 62.86 5.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 1.0 109.316 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . 0.603 ' CB ' ' HD3' ' A' ' 668' ' ' PRO . 0.0 OUTLIER -158.0 -64.95 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.15 . . . . 1.0 109.262 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 668' ' ' PRO . . . . . 0.603 ' HD3' ' CB ' ' A' ' 667' ' ' LYS . 18.1 Cg_endo -74.99 41.41 0.74 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.503 1.791 . . . . 1.0 110.993 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . 0.454 ' H ' ' C ' ' A' ' 667' ' ' LYS . 0.6 OUTLIER -69.19 125.72 27.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 1.0 110.295 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 33.4 t . . . . . 0 C--O 1.25 1.105 0 CA-C-O 117.06 -1.447 . . . . 1.0 109.992 179.959 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 110.982 -0.847 . . . . 1.0 110.982 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 553' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.67 -58.56 1.82 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.416 0.715 . . . . 1.0 109.999 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 554' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -171.39 62.89 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 1.0 109.6 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 555' ' ' MET . . . . . . . . . . . . . 10.1 mtt -157.2 144.92 18.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 1.0 110.98 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . -101.77 -177.9 28.19 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.495 1.122 . . . . 1.0 111.001 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.95 71.04 1.39 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.472 0.748 . . . . 1.0 109.259 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 558' ' ' ASP . . . . . 0.496 ' O ' ' HD3' ' A' ' 585' ' ' PRO . 14.0 t0 -154.67 107.08 2.76 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.115 . . . . 1.0 109.281 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 559' ' ' CYS . . . . . 0.487 ' SG ' ' CD2' ' A' ' 582' ' ' TYR . 42.4 t -69.12 145.7 53.14 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.491 1.119 . . . . 1.0 108.245 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 560' ' ' ILE . . . . . 0.748 HD11 ' HA ' ' A' ' 585' ' ' PRO . 10.7 mt -92.5 -58.03 3.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 1.0 109.309 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 561' ' ' MET . . . . . 0.55 ' CG ' ' OE1' ' A' ' 646' ' ' GLU . 0.0 OUTLIER -117.29 142.61 46.86 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.503 1.127 . . . . 1.0 110.992 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 562' ' ' HIS . . . . . . . . . . . . . 13.7 p-80 -146.02 163.13 36.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 1.0 109.581 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 563' ' ' GLY . . . . . 0.435 ' O ' ' CD1' ' A' ' 580' ' ' TYR . . . 128.7 -159.5 22.11 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.493 1.121 . . . . 1.0 110.981 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 564' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -91.34 127.69 36.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 0.792 . . . . 1.0 110.966 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 565' ' ' MET . . . . . 0.612 ' O ' ' O ' ' A' ' 579' ' ' ARG . 0.0 OUTLIER -143.29 125.86 15.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 1.0 111.083 179.939 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 566' ' ' SER . . . . . 0.537 ' OG ' ' O ' ' A' ' 633' ' ' GLN . 0.1 OUTLIER -100.3 142.99 31.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.123 . . . . 1.0 110.012 -179.944 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 567' ' ' LYS . . . . . 0.52 ' HG2' ' O ' ' A' ' 631' ' ' ILE . 0.6 OUTLIER -160.86 164.13 31.53 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.377 1.048 . . . . 1.0 109.242 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 568' ' ' MET . . . . . 0.504 ' N ' ' CD ' ' A' ' 567' ' ' LYS . 0.0 OUTLIER 174.11 172.0 0.2 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.437 1.086 . . . . 1.0 110.955 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 569' ' ' GLY . . . . . . . . . . . . . . . -175.09 133.06 2.33 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.496 1.123 . . . . 1.0 110.958 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 570' ' ' ASN . . . . . 0.541 ' CB ' ' CD ' ' A' ' 571' ' ' PRO . 1.2 m-20 -168.97 -179.67 0.72 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.565 0.803 . . . . 1.0 109.276 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 571' ' ' PRO . . . . . 0.561 ' O ' ' CD1' ' A' ' 572' ' ' PHE . 18.5 Cg_endo -74.87 4.71 4.43 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.412 1.743 . . . . 1.0 111.07 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 572' ' ' PHE . . . . . 0.561 ' CD1' ' O ' ' A' ' 571' ' ' PRO . 11.0 m-85 -152.43 78.2 1.21 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 1.0 111.063 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 573' ' ' LEU . . . . . 0.484 ' HA ' HD12 ' A' ' 573' ' ' LEU . 2.8 tp -81.58 88.16 6.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 1.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 574' ' ' THR . . . . . 0.518 ' O ' ' CG2' ' A' ' 574' ' ' THR . 0.3 OUTLIER -136.95 10.02 3.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 1.0 110.385 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 575' ' ' GLN . . . . . 0.59 ' O ' ' CD1' ' A' ' 576' ' ' TRP . 28.7 pt20 -120.99 -179.25 3.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 1.0 110.296 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 576' ' ' TRP . . . . . 0.59 ' CD1' ' O ' ' A' ' 575' ' ' GLN . 12.6 m0 -156.51 125.69 6.08 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.514 1.134 . . . . 1.0 107.979 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 577' ' ' GLN . . . . . 0.423 ' O ' ' HB2' ' A' ' 566' ' ' SER . 19.0 pt20 -128.47 118.25 22.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 1.0 110.242 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 578' ' ' ARG . . . . . 0.467 ' HA ' ' HB2' ' A' ' 566' ' ' SER . 0.0 OUTLIER -85.3 120.44 26.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 1.0 110.341 179.916 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 579' ' ' ARG . . . . . 0.612 ' O ' ' O ' ' A' ' 565' ' ' MET . 0.7 OUTLIER -136.26 161.94 34.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.393 1.058 . . . . 1.0 110.35 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 580' ' ' TYR . . . . . 0.435 ' CD1' ' O ' ' A' ' 563' ' ' GLY . 0.3 OUTLIER -88.71 131.78 34.87 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.471 1.107 . . . . 1.0 111.065 179.94 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 581' ' ' PHE . . . . . 0.506 ' CG ' ' HB3' ' A' ' 590' ' ' TRP . 2.5 m-85 -124.09 160.09 28.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.425 1.078 . . . . 1.0 111.019 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 582' ' ' TYR . . . . . 0.487 ' CD2' ' SG ' ' A' ' 559' ' ' CYS . 0.1 OUTLIER -138.97 115.45 10.52 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.614 1.196 . . . . 1.0 110.993 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 583' ' ' LEU . . . . . 0.756 ' HB2' ' CZ3' ' A' ' 643' ' ' TRP . 7.9 tp -88.93 110.38 21.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 1.0 109.262 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 584' ' ' PHE . . . . . 0.617 ' HB2' ' C ' ' A' ' 587' ' ' ARG . 6.7 m-85 -96.43 171.7 5.93 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.439 1.087 . . . . 1.0 110.959 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 585' ' ' PRO . . . . . 0.748 ' HA ' HD11 ' A' ' 560' ' ' ILE . 18.3 Cg_endo -75.02 7.32 2.92 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.509 1.794 . . . . 1.0 111.016 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 586' ' ' ASN . . . . . 0.709 ' HA ' ' CG ' ' A' ' 603' ' ' MET . 37.2 m-20 -174.29 -38.45 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 1.0 109.349 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 587' ' ' ARG . . . . . 0.62 ' HA ' ' HA ' ' A' ' 602' ' ' THR . 0.8 OUTLIER -91.07 -162.64 0.93 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 1.0 110.236 -179.942 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 588' ' ' LEU . . . . . 0.565 HD12 ' C ' ' A' ' 588' ' ' LEU . 0.1 OUTLIER 171.45 112.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 1.0 109.321 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 589' ' ' GLU . . . . . 0.545 ' HB2' HD12 ' A' ' 600' ' ' LEU . 30.5 tt0 -123.31 149.57 44.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 1.0 110.222 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 590' ' ' TRP . . . . . 0.506 ' HB3' ' CG ' ' A' ' 581' ' ' PHE . 0.4 OUTLIER -133.94 147.46 51.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 1.0 108.037 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.78 176.54 7.19 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 1.0 110.269 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . 168.69 -123.26 1.08 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.492 1.12 . . . . 1.0 111.097 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -61.24 175.47 0.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 0.769 . . . . 1.0 110.289 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . -111.17 -170.28 19.11 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.455 1.097 . . . . 1.0 111.042 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 595' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 62.94 15.53 8.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.441 0.73 . . . . 1.0 110.312 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . -123.21 159.47 54.33 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.483 1.114 . . . . 1.0 109.302 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 597' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 179.75 5.77 Favored 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.471 1.774 . . . . 1.0 111.063 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 598' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -87.55 154.1 20.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 1.0 110.277 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 599' ' ' SER . . . . . 0.41 ' CB ' ' CE2' ' A' ' 590' ' ' TRP . 16.4 m -136.61 98.4 3.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 1.0 109.996 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 600' ' ' LEU . . . . . 0.545 HD12 ' HB2' ' A' ' 589' ' ' GLU . 8.7 tt -134.61 102.58 5.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.437 1.085 . . . . 1.0 109.31 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -107.16 -172.89 2.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.592 1.182 . . . . 1.0 109.239 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 602' ' ' THR . . . . . 0.62 ' HA ' ' HA ' ' A' ' 587' ' ' ARG . 0.0 OUTLIER -116.28 -166.33 1.14 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.416 1.072 . . . . 1.0 110.444 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 603' ' ' MET . . . . . 0.709 ' CG ' ' HA ' ' A' ' 586' ' ' ASN . 0.1 OUTLIER -127.0 38.54 4.08 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.543 1.152 . . . . 1.0 111.043 -179.934 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 604' ' ' GLU . . . . . 0.595 ' HB3' ' HB1' ' A' ' 654' ' ' ALA . 9.7 pt-20 -126.72 59.56 1.37 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.425 1.078 . . . . 1.0 110.348 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 605' ' ' GLU . . . . . 0.477 ' O ' ' C ' ' A' ' 606' ' ' ILE . 3.5 pt-20 -159.01 -57.17 0.07 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.144 . . . . 1.0 110.306 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 606' ' ' ILE . . . . . 1.227 HG21 ' CD2' ' A' ' 651' ' ' TYR . 1.2 mp -34.58 136.49 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 1.0 109.317 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 607' ' ' GLN . . . . . 0.518 ' HG3' ' HA ' ' A' ' 625' ' ' ARG . 0.0 OUTLIER -88.84 -37.94 14.98 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.57 1.169 . . . . 1.0 110.296 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 1.9 m -175.1 134.81 0.34 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 1.0 110.063 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 609' ' ' VAL . . . . . 0.969 HG22 ' CD ' ' A' ' 644' ' ' LYS . 3.9 p -107.6 141.68 22.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.097 . . . . 1.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 610' ' ' GLU . . . . . 0.822 ' HG3' HD23 ' A' ' 621' ' ' LEU . 0.3 OUTLIER -157.77 -167.29 2.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 1.0 110.297 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 611' ' ' GLU . . . . . 0.647 ' HA ' ' HA ' ' A' ' 620' ' ' LEU . 28.6 tt0 -138.28 147.12 43.28 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.489 1.118 . . . . 1.0 110.294 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 612' ' ' THR . . . . . 0.713 HG23 ' HG3' ' A' ' 618' ' ' LYS . 0.0 OUTLIER -112.27 163.09 14.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.415 1.072 . . . . 1.0 110.419 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 5.9 mp0 -127.42 163.79 23.27 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 1.0 110.322 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 614' ' ' ILE . . . . . 0.8 HG22 ' O ' ' A' ' 614' ' ' ILE . 0.2 OUTLIER -147.53 82.97 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 1.0 109.325 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 615' ' ' LYS . . . . . 0.425 ' HB2' ' O ' ' A' ' 614' ' ' ILE . 13.7 mttt 81.32 -31.36 0.11 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.437 1.086 . . . . 1.0 109.297 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 616' ' ' GLU . . . . . 0.46 ' H ' ' C ' ' A' ' 614' ' ' ILE . 0.7 OUTLIER -156.86 -49.6 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 1.0 110.366 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 37.7 ttm-85 -157.83 138.15 12.68 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.588 1.18 . . . . 1.0 110.387 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 618' ' ' LYS . . . . . 0.767 ' HG2' HD12 ' A' ' 614' ' ' ILE . 0.0 OUTLIER -117.49 -98.64 0.45 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 1.0 109.299 -179.948 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 619' ' ' CYS . . . . . 0.484 ' O ' ' CG ' ' A' ' 611' ' ' GLU . 1.6 m -157.12 -170.22 3.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 1.0 108.198 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 620' ' ' LEU . . . . . 1.13 HD13 HD12 ' A' ' 640' ' ' LEU . 0.1 OUTLIER -99.67 154.47 18.27 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.521 1.138 . . . . 1.0 109.359 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 621' ' ' LEU . . . . . 0.822 HD23 ' HG3' ' A' ' 610' ' ' GLU . 0.6 OUTLIER -112.26 159.08 18.97 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.498 1.124 . . . . 1.0 109.357 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 622' ' ' LEU . . . . . 0.93 ' CD1' HD11 ' A' ' 632' ' ' LEU . 6.6 mt -153.83 87.25 1.21 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.561 1.163 . . . . 1.0 109.366 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 623' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.26 135.07 33.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 1.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 624' ' ' ILE . . . . . 0.967 HG22 ' H ' ' A' ' 626' ' ' GLY . 65.2 mt -103.24 143.88 14.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.097 . . . . 1.0 109.272 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 625' ' ' ARG . . . . . 0.518 ' HA ' ' HG3' ' A' ' 607' ' ' GLN . 0.0 OUTLIER -78.89 3.45 16.92 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.5 1.125 . . . . 1.0 110.317 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 626' ' ' GLY . . . . . 0.967 ' H ' HG22 ' A' ' 624' ' ' ILE . . . -91.55 -27.58 17.07 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.563 1.164 . . . . 1.0 110.957 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 123.24 46.5 0.27 Allowed Glycine 0 CA--C 1.529 0.94 0 N-CA-C 111.003 -0.839 . . . . 1.0 111.003 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 628' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.64 169.57 18.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 0.755 . . . . 1.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 11.5 mp0 -145.34 142.83 29.75 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.532 1.145 . . . . 1.0 110.319 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 630' ' ' PHE . . . . . 0.505 ' CG ' ' HE2' ' A' ' 567' ' ' LYS . 0.8 OUTLIER -131.74 164.31 26.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 1.0 111.044 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 631' ' ' ILE . . . . . 0.52 ' O ' ' HG2' ' A' ' 567' ' ' LYS . 0.3 OUTLIER -143.74 111.05 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 1.0 109.32 -179.926 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 632' ' ' LEU . . . . . 0.93 HD11 ' CD1' ' A' ' 622' ' ' LEU . 0.7 OUTLIER -85.81 163.14 18.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.565 1.166 . . . . 1.0 109.256 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 633' ' ' GLN . . . . . 0.537 ' O ' ' OG ' ' A' ' 566' ' ' SER . 2.5 tm0? -156.31 120.6 4.49 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.451 1.094 . . . . 1.0 110.344 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 634' ' ' CYS . . . . . 0.919 ' HB3' HD23 ' A' ' 640' ' ' LEU . 2.7 p -127.0 154.18 44.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 1.0 108.283 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 635' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.72 -10.46 53.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 1.0 109.356 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 636' ' ' SER . . . . . 0.54 ' HB2' ' HB2' ' A' ' 639' ' ' GLU . 17.1 m -96.32 -174.56 3.1 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.546 1.154 . . . . 1.0 110.036 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 637' ' ' ASP . . . . . 0.726 ' H ' ' HD2' ' A' ' 638' ' ' PRO . 0.4 OUTLIER -110.76 -49.61 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.16 . . . . 1.0 109.341 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 638' ' ' PRO . . . . . 0.726 ' HD2' ' H ' ' A' ' 637' ' ' ASP . 18.3 Cg_endo -74.98 -50.34 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.557 1.819 . . . . 1.0 111.009 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 639' ' ' GLU . . . . . 0.58 ' C ' ' O ' ' A' ' 638' ' ' PRO . 38.6 mm-40 -21.93 -81.09 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.576 1.172 . . . . 1.0 110.332 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 640' ' ' LEU . . . . . 1.13 HD12 HD13 ' A' ' 620' ' ' LEU . 0.1 OUTLIER -52.89 -47.86 67.6 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 1.0 109.269 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 641' ' ' VAL . . . . . 0.568 HG12 ' N ' ' A' ' 642' ' ' GLN . 0.5 OUTLIER -43.98 -55.53 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.592 1.182 . . . . 1.0 109.347 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 642' ' ' GLN . . . . . 0.568 ' N ' HG12 ' A' ' 641' ' ' VAL . 0.0 OUTLIER -65.72 -39.57 91.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.602 1.189 . . . . 1.0 110.293 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 643' ' ' TRP . . . . . 0.756 ' CZ3' ' HB2' ' A' ' 583' ' ' LEU . 22.6 m95 -56.03 -43.14 77.53 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.968 -1.123 . . . . 1.0 107.968 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 644' ' ' LYS . . . . . 0.969 ' CD ' HG22 ' A' ' 609' ' ' VAL . 0.1 OUTLIER -62.8 -61.03 2.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 1.0 109.315 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 645' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 644' ' ' LYS . 7.4 tmtt? -38.17 -51.13 1.44 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.426 1.079 . . . . 1.0 109.337 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 646' ' ' GLU . . . . . 0.661 ' OE1' HG22 ' A' ' 560' ' ' ILE . 22.3 mt-10 -73.05 -34.21 66.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 1.0 110.342 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 647' ' ' LEU . . . . . 0.573 ' HG ' HD11 ' A' ' 583' ' ' LEU . 0.5 OUTLIER -67.54 -60.39 2.6 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.553 1.158 . . . . 1.0 109.337 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 648' ' ' ARG . . . . . 0.533 ' N ' ' O ' ' A' ' 644' ' ' LYS . 0.3 OUTLIER -40.83 -55.13 2.53 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.539 1.15 . . . . 1.0 110.277 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 649' ' ' ASP . . . . . 0.423 ' O ' ' N ' ' A' ' 653' ' ' GLU . 37.5 t0 -63.13 -46.55 86.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 1.0 109.354 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 650' ' ' ALA . . . . . 0.482 ' HB1' ' SD ' ' A' ' 603' ' ' MET . . . -47.6 -46.71 28.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.086 . . . . 1.0 109.204 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 651' ' ' TYR . . . . . 1.227 ' CD2' HG21 ' A' ' 606' ' ' ILE . 21.5 m-30 -75.61 -41.73 53.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.122 . . . . 1.0 111.037 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 652' ' ' ARG . . . . . 0.52 ' O ' ' HB2' ' A' ' 655' ' ' GLN . 0.2 OUTLIER -61.13 -62.13 2.06 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.545 1.153 . . . . 1.0 110.285 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 653' ' ' GLU . . . . . 0.615 ' O ' HD13 ' A' ' 657' ' ' LEU . 2.3 mt-10 -45.42 -56.81 4.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.614 1.196 . . . . 1.0 110.217 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 654' ' ' ALA . . . . . 0.595 ' HB1' ' HB3' ' A' ' 604' ' ' GLU . . . -46.17 -35.35 5.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.572 1.17 . . . . 1.0 109.315 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 655' ' ' GLN . . . . . 0.569 ' HA ' HG12 ' A' ' 658' ' ' VAL . 57.6 mt-30 -74.76 -67.5 0.63 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.501 1.125 . . . . 1.0 110.267 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 656' ' ' GLN . . . . . 0.532 ' CG ' ' HA ' ' A' ' 653' ' ' GLU . 2.4 pt20 -52.17 -20.05 2.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 1.0 110.257 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 657' ' ' LEU . . . . . 0.615 HD13 ' O ' ' A' ' 653' ' ' GLU . 10.8 mp -86.94 -25.95 24.11 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.503 1.127 . . . . 1.0 109.272 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 658' ' ' VAL . . . . . 0.718 ' O ' HG13 ' A' ' 661' ' ' VAL . 4.0 p -110.16 13.45 8.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 1.0 109.372 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 659' ' ' GLN . . . . . 0.574 ' O ' HG22 ' A' ' 661' ' ' VAL . 0.2 OUTLIER -65.63 -58.37 5.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.571 1.169 . . . . 1.0 110.286 -179.922 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 660' ' ' ARG . . . . . . . . . . . . . 1.7 ttt-85 -72.62 65.82 0.69 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.631 1.207 . . . . 1.0 110.314 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 661' ' ' VAL . . . . . 0.718 HG13 ' O ' ' A' ' 658' ' ' VAL . 0.1 OUTLIER -85.1 163.45 45.59 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 1.0 109.269 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 662' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -174.83 2.08 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.566 1.824 . . . . 1.0 111.031 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.66 124.89 23.09 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.479 1.112 . . . . 1.0 109.266 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 664' ' ' MET . . . . . 0.405 ' CE ' ' HA ' ' A' ' 664' ' ' MET . 0.0 OUTLIER 66.46 114.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 1.0 110.941 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 665' ' ' LYS . . . . . 0.478 ' O ' ' CB ' ' A' ' 666' ' ' ASN . 5.7 pttt -93.57 88.01 5.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 1.0 109.26 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 666' ' ' ASN . . . . . 0.478 ' CB ' ' O ' ' A' ' 665' ' ' LYS . 34.2 t30 80.25 -49.52 0.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 1.0 109.348 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.56 143.5 0.6 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 1.0 109.423 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 668' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -38.94 1.37 Allowed 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.53 1.805 . . . . 1.0 110.967 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 6.9 ttt-85 177.27 162.12 0.48 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 1.0 110.302 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.085 0 CA-C-O 117.074 -1.441 . . . . 1.0 110.006 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.048 0 N-CA-C 110.948 -0.861 . . . . 1.0 110.948 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 553' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -172.29 161.12 5.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.589 0.817 . . . . 1.0 110.046 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 554' ' ' HIS . . . . . . . . . . . . . 12.5 m170 -118.45 137.06 53.42 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.55 1.156 . . . . 1.0 109.656 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 555' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -125.44 105.29 8.95 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.454 1.096 . . . . 1.0 110.962 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . 58.31 -152.01 30.42 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.388 1.055 . . . . 1.0 110.977 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 75.8 tttt -122.94 -105.11 0.37 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 0.784 . . . . 1.0 109.269 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 558' ' ' ASP . . . . . 0.647 ' O ' ' CE2' ' A' ' 584' ' ' PHE . 0.3 OUTLIER -151.09 22.3 0.76 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.559 1.162 . . . . 1.0 109.346 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 559' ' ' CYS . . . . . 0.469 ' HA ' ' HD3' ' A' ' 585' ' ' PRO . 2.0 t -169.52 131.13 1.12 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.455 1.097 . . . . 1.0 108.238 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 560' ' ' ILE . . . . . 0.829 HD11 ' HA ' ' A' ' 585' ' ' PRO . 6.4 mt -100.51 -55.93 5.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.599 1.187 . . . . 1.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 561' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -150.51 150.6 31.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 1.0 111.026 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 562' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -150.9 156.87 42.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.115 . . . . 1.0 109.632 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 563' ' ' GLY . . . . . . . . . . . . . . . 165.34 -167.35 38.83 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.564 1.165 . . . . 1.0 111.017 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 564' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -98.26 121.39 40.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 0.785 . . . . 1.0 110.953 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 565' ' ' MET . . . . . 0.627 ' HA ' ' SG ' ' A' ' 634' ' ' CYS . 3.2 mtm -125.05 -156.15 0.71 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 1.0 110.979 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -154.35 133.35 12.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 1.0 110.044 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 567' ' ' LYS . . . . . 0.474 ' HE2' ' CD1' ' A' ' 630' ' ' PHE . 6.7 ttmt -132.57 148.37 52.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.421 1.076 . . . . 1.0 109.246 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 568' ' ' MET . . . . . 0.456 ' N ' ' HG2' ' A' ' 567' ' ' LYS . 0.0 OUTLIER -164.41 168.93 17.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 1.0 111.022 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 569' ' ' GLY . . . . . 0.416 ' C ' ' CG ' ' A' ' 570' ' ' ASN . . . 160.83 114.11 0.33 Allowed Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.444 1.09 . . . . 1.0 111.063 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 570' ' ' ASN . . . . . 0.585 ' CB ' ' CD ' ' A' ' 571' ' ' PRO . 0.0 OUTLIER -165.73 -177.01 0.56 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.485 0.756 . . . . 1.0 109.334 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 571' ' ' PRO . . . . . 0.585 ' CD ' ' CB ' ' A' ' 570' ' ' ASN . 18.1 Cg_endo -75.05 6.68 3.27 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.468 1.773 . . . . 1.0 110.966 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 572' ' ' PHE . . . . . 0.564 ' CE2' ' HG2' ' A' ' 571' ' ' PRO . 11.9 m-85 -138.19 85.79 2.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 1.0 110.967 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.09 79.83 9.38 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.486 1.116 . . . . 1.0 109.26 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 574' ' ' THR . . . . . 0.456 HG23 ' O ' ' A' ' 574' ' ' THR . 0.4 OUTLIER -147.52 2.28 0.73 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.565 1.166 . . . . 1.0 110.431 -179.953 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 575' ' ' GLN . . . . . 0.586 ' O ' ' CD1' ' A' ' 576' ' ' TRP . 26.5 pt20 -126.56 168.32 14.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 1.0 110.291 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 576' ' ' TRP . . . . . 0.586 ' CD1' ' O ' ' A' ' 575' ' ' GLN . 1.9 m-90 -145.77 124.42 12.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 1.0 108.09 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 577' ' ' GLN . . . . . 0.482 ' NE2' HH22 ' A' ' 579' ' ' ARG . 5.7 mt-30 -107.76 120.19 41.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 1.0 110.346 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 578' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.76 109.41 20.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 1.0 110.328 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 579' ' ' ARG . . . . . 0.482 HH22 ' NE2' ' A' ' 577' ' ' GLN . 1.7 mtt-85 -126.52 165.1 19.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 1.0 110.283 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 580' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -87.86 125.86 34.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 1.0 111.034 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 581' ' ' PHE . . . . . 0.596 ' CE1' ' CB ' ' A' ' 590' ' ' TRP . 0.2 OUTLIER -113.12 160.3 18.35 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.454 1.096 . . . . 1.0 111.045 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 582' ' ' TYR . . . . . 0.545 ' O ' ' HA ' ' A' ' 588' ' ' LEU . 1.7 m-85 -146.74 107.6 4.15 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.564 1.165 . . . . 1.0 110.905 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 583' ' ' LEU . . . . . 0.818 ' O ' HD23 ' A' ' 583' ' ' LEU . 0.7 OUTLIER -89.99 112.06 23.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.532 1.145 . . . . 1.0 109.341 179.874 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 584' ' ' PHE . . . . . 0.647 ' CE2' ' O ' ' A' ' 558' ' ' ASP . 0.8 OUTLIER -101.59 176.0 2.07 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 1.0 110.971 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 585' ' ' PRO . . . . . 0.829 ' HA ' HD11 ' A' ' 560' ' ' ILE . 18.3 Cg_endo -74.93 3.09 5.88 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.508 1.794 . . . . 1.0 111.031 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 586' ' ' ASN . . . . . 0.644 ' HA ' ' CG ' ' A' ' 603' ' ' MET . 56.8 m-80 -168.96 -42.2 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.443 1.089 . . . . 1.0 109.239 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 587' ' ' ARG . . . . . 0.489 ' O ' ' CB ' ' A' ' 588' ' ' LEU . 1.3 mtp85 -88.39 -171.67 3.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 1.0 110.26 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 588' ' ' LEU . . . . . 0.998 HD12 ' N ' ' A' ' 589' ' ' GLU . 0.1 OUTLIER 165.04 133.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 1.0 109.219 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 589' ' ' GLU . . . . . 0.998 ' N ' HD12 ' A' ' 588' ' ' LEU . 6.6 pt-20 -131.98 169.52 16.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 1.0 110.327 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 590' ' ' TRP . . . . . 0.596 ' CB ' ' CE1' ' A' ' 581' ' ' PHE . 17.3 p-90 -153.13 93.71 1.76 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 1.0 108.013 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 9.3 mmt180 -152.81 -93.0 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.563 1.164 . . . . 1.0 110.326 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . -175.62 -178.84 45.76 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.406 1.066 . . . . 1.0 111.008 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 593' ' ' GLU . . . . . 0.422 ' CD ' ' O ' ' A' ' 593' ' ' GLU . 0.0 OUTLIER -89.73 158.13 17.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 0.785 . . . . 1.0 110.269 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . 75.26 142.44 0.94 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.428 1.08 . . . . 1.0 111.009 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 595' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 77.47 176.65 0.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 0.742 . . . . 1.0 110.252 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . -84.23 156.6 63.05 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.094 . . . . 1.0 109.281 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 597' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 171.97 17.28 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.557 1.82 . . . . 1.0 111.022 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 598' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -144.09 -53.27 0.33 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 1.0 110.279 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 599' ' ' SER . . . . . . . . . . . . . 2.8 m -105.29 90.92 3.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 1.0 110.022 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 600' ' ' LEU . . . . . 0.542 ' O ' HD12 ' A' ' 601' ' ' LEU . 1.2 pp -136.61 138.58 41.33 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.538 1.149 . . . . 1.0 109.346 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 601' ' ' LEU . . . . . 0.542 HD12 ' O ' ' A' ' 600' ' ' LEU . 1.6 mp -140.56 -167.59 2.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.577 1.173 . . . . 1.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 602' ' ' THR . . . . . 0.513 HG22 ' O ' ' A' ' 586' ' ' ASN . 0.0 OUTLIER -118.23 -169.71 1.75 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 1.0 110.387 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 603' ' ' MET . . . . . 0.834 ' SD ' ' HB1' ' A' ' 650' ' ' ALA . 0.3 OUTLIER -113.96 39.74 2.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 1.0 110.984 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 604' ' ' GLU . . . . . 0.568 ' HB3' ' HB1' ' A' ' 654' ' ' ALA . 12.5 pt-20 -124.95 54.52 1.41 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.402 1.064 . . . . 1.0 110.323 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 605' ' ' GLU . . . . . 0.486 ' O ' ' C ' ' A' ' 606' ' ' ILE . 2.9 pt-20 -157.93 -50.47 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 1.0 110.308 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 606' ' ' ILE . . . . . 1.37 HG21 ' CD2' ' A' ' 651' ' ' TYR . 0.9 OUTLIER -33.49 133.69 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.558 1.161 . . . . 1.0 109.372 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 607' ' ' GLN . . . . . 0.632 ' HG2' ' CB ' ' A' ' 625' ' ' ARG . 0.5 OUTLIER -90.69 -37.7 13.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 1.0 110.312 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 4.7 m -172.45 128.07 0.54 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.437 1.085 . . . . 1.0 109.977 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 609' ' ' VAL . . . . . 0.792 HG22 ' CD ' ' A' ' 644' ' ' LYS . 7.6 p -93.71 130.53 42.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 1.0 109.326 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 610' ' ' GLU . . . . . 0.845 ' CD ' HD23 ' A' ' 621' ' ' LEU . 0.9 OUTLIER -150.45 -176.14 5.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 1.0 110.261 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 611' ' ' GLU . . . . . 0.506 ' HA ' ' HA ' ' A' ' 620' ' ' LEU . 14.5 tt0 -143.2 133.95 25.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 1.0 110.356 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 612' ' ' THR . . . . . 0.738 HG23 ' HG3' ' A' ' 618' ' ' LYS . 0.0 OUTLIER -90.16 161.61 15.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.564 1.165 . . . . 1.0 110.35 -179.937 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 8.0 mp0 -128.36 155.35 44.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 1.0 110.324 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 614' ' ' ILE . . . . . 0.788 HG22 ' O ' ' A' ' 614' ' ' ILE . 0.2 OUTLIER -142.51 83.59 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.559 1.162 . . . . 1.0 109.331 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 615' ' ' LYS . . . . . 0.43 ' HB2' ' O ' ' A' ' 614' ' ' ILE . 9.8 mmtt 83.24 -32.45 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 1.0 109.263 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 616' ' ' GLU . . . . . 0.433 ' H ' ' C ' ' A' ' 614' ' ' ILE . 1.0 OUTLIER -156.97 -50.25 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 1.0 110.358 -179.929 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 1.8 ttt85 -157.71 138.43 13.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.564 1.165 . . . . 1.0 110.245 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 618' ' ' LYS . . . . . 0.777 ' HB2' HD12 ' A' ' 614' ' ' ILE . 7.5 tptt -115.24 -95.69 0.46 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.4 1.063 . . . . 1.0 109.347 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 619' ' ' CYS . . . . . 0.463 ' HB2' HD12 ' A' ' 631' ' ' ILE . 85.9 m -154.01 173.66 15.7 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.496 1.122 . . . . 1.0 108.268 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 620' ' ' LEU . . . . . 0.996 HD13 ' CD1' ' A' ' 640' ' ' LEU . 0.3 OUTLIER -93.11 132.1 37.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 1.0 109.266 -179.952 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 621' ' ' LEU . . . . . 0.845 HD23 ' CD ' ' A' ' 610' ' ' GLU . 1.3 tp -95.61 161.39 14.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 1.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 622' ' ' LEU . . . . . 1.169 HD21 ' OH ' ' A' ' 651' ' ' TYR . 0.0 OUTLIER -148.23 75.68 1.34 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 1.0 109.302 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 623' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.15 141.62 57.32 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.533 1.146 . . . . 1.0 109.315 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 624' ' ' ILE . . . . . 0.67 HG22 ' H ' ' A' ' 626' ' ' GLY . 11.6 mt -113.7 148.2 16.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.107 . . . . 1.0 109.313 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 625' ' ' ARG . . . . . 0.632 ' CB ' ' HG2' ' A' ' 607' ' ' GLN . 9.1 ptp180 -77.68 3.57 13.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.574 1.171 . . . . 1.0 110.376 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 626' ' ' GLY . . . . . 0.67 ' H ' HG22 ' A' ' 624' ' ' ILE . . . -95.92 -5.45 59.74 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.521 1.138 . . . . 1.0 111.02 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 93.51 35.69 6.13 Favored Glycine 0 CA--C 1.531 1.046 0 N-CA-C 110.987 -0.845 . . . . 1.0 110.987 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 628' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.42 121.6 16.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 0.789 . . . . 1.0 109.324 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 15.7 mp0 -98.96 144.98 27.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 1.0 110.355 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 630' ' ' PHE . . . . . 0.644 ' O ' HD12 ' A' ' 621' ' ' LEU . 0.8 OUTLIER -127.62 144.5 51.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 1.0 110.989 -179.887 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 631' ' ' ILE . . . . . 0.616 HD13 ' O ' ' A' ' 620' ' ' LEU . 0.3 OUTLIER -128.96 107.27 15.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.347 1.03 . . . . 1.0 109.292 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 632' ' ' LEU . . . . . 0.756 HD21 ' CD1' ' A' ' 622' ' ' LEU . 0.4 OUTLIER -121.76 166.75 13.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 1.0 109.267 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 633' ' ' GLN . . . . . 0.45 ' HG3' ' SG ' ' A' ' 619' ' ' CYS . 2.2 tm0? -151.09 -178.48 6.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.427 1.079 . . . . 1.0 110.351 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 634' ' ' CYS . . . . . 0.627 ' SG ' ' HA ' ' A' ' 565' ' ' MET . 0.5 OUTLIER -154.39 163.54 40.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 1.0 108.365 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 635' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -85.13 -23.04 28.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 1.0 109.312 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 636' ' ' SER . . . . . 0.504 ' CB ' ' HG3' ' A' ' 639' ' ' GLU . 0.5 OUTLIER -91.33 150.08 21.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.438 1.086 . . . . 1.0 110.037 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 637' ' ' ASP . . . . . 0.595 ' N ' ' CD ' ' A' ' 638' ' ' PRO . 0.7 OUTLIER -81.08 -47.0 1.14 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 1.0 109.282 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 638' ' ' PRO . . . . . 0.595 ' CD ' ' N ' ' A' ' 637' ' ' ASP . 18.1 Cg_endo -74.96 -51.99 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.522 1.801 . . . . 1.0 111.053 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 639' ' ' GLU . . . . . 0.558 ' C ' ' O ' ' A' ' 638' ' ' PRO . 20.5 mt-10 -25.89 -82.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.565 1.166 . . . . 1.0 110.325 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 640' ' ' LEU . . . . . 0.996 ' CD1' HD13 ' A' ' 620' ' ' LEU . 0.2 OUTLIER -46.39 -47.58 18.76 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.466 1.104 . . . . 1.0 109.324 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 641' ' ' VAL . . . . . 0.566 HG12 ' N ' ' A' ' 642' ' ' GLN . 0.7 OUTLIER -46.67 -54.62 2.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 1.0 109.279 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 642' ' ' GLN . . . . . 0.566 ' N ' HG12 ' A' ' 641' ' ' VAL . 0.0 OUTLIER -64.34 -39.19 93.4 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.545 1.153 . . . . 1.0 110.273 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 643' ' ' TRP . . . . . 0.622 ' CZ3' ' CB ' ' A' ' 583' ' ' LEU . 24.2 m95 -55.04 -45.87 75.26 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.002 -1.11 . . . . 1.0 108.002 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 644' ' ' LYS . . . . . 0.792 ' CD ' HG22 ' A' ' 609' ' ' VAL . 0.1 OUTLIER -55.27 -58.35 8.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.625 1.203 . . . . 1.0 109.427 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 645' ' ' LYS . . . . . 0.401 ' HB3' ' OE1' ' A' ' 646' ' ' GLU . 2.5 tmtm? -41.42 -54.68 3.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.438 1.087 . . . . 1.0 109.236 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 646' ' ' GLU . . . . . 0.754 ' HG2' HG22 ' A' ' 560' ' ' ILE . 0.8 OUTLIER -66.8 -33.6 75.98 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.456 1.098 . . . . 1.0 110.318 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 647' ' ' LEU . . . . . 0.934 HD22 ' OH ' ' A' ' 651' ' ' TYR . 23.2 mt -65.03 -62.35 1.6 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 1.0 109.276 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 648' ' ' ARG . . . . . 0.459 ' HG3' ' CG1' ' A' ' 609' ' ' VAL . 2.6 ttp180 -38.55 -59.77 0.88 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 1.0 110.289 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 649' ' ' ASP . . . . . 0.456 ' O ' ' N ' ' A' ' 653' ' ' GLU . 42.4 t0 -57.3 -44.53 84.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 1.0 109.332 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 650' ' ' ALA . . . . . 0.834 ' HB1' ' SD ' ' A' ' 603' ' ' MET . . . -51.77 -54.11 32.23 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.126 . . . . 1.0 109.207 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 651' ' ' TYR . . . . . 1.37 ' CD2' HG21 ' A' ' 606' ' ' ILE . 4.1 m-30 -67.09 -23.03 65.81 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.468 1.105 . . . . 1.0 110.976 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 652' ' ' ARG . . . . . 0.559 ' O ' ' HG2' ' A' ' 655' ' ' GLN . 15.2 mtp-105 -82.28 -71.5 0.48 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.46 1.1 . . . . 1.0 110.339 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 653' ' ' GLU . . . . . 0.461 ' O ' ' HG ' ' A' ' 657' ' ' LEU . 0.1 OUTLIER -37.22 -31.59 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.553 1.158 . . . . 1.0 110.27 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 654' ' ' ALA . . . . . 0.578 ' HB3' ' O ' ' A' ' 603' ' ' MET . . . -77.36 -51.77 10.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.11 . . . . 1.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 655' ' ' GLN . . . . . 0.559 ' HG2' ' O ' ' A' ' 652' ' ' ARG . 1.5 pt20 -51.62 -36.23 45.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 1.0 110.297 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 656' ' ' GLN . . . . . 0.486 ' N ' ' HG3' ' A' ' 655' ' ' GLN . 1.2 tp60 -65.62 -14.31 60.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 1.0 110.28 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 657' ' ' LEU . . . . . 0.496 ' CD1' ' HA ' ' A' ' 654' ' ' ALA . 7.3 mt -86.3 -34.83 20.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 1.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 658' ' ' VAL . . . . . 0.473 HG13 ' O ' ' A' ' 658' ' ' VAL . 0.8 OUTLIER -110.84 17.58 7.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.568 1.167 . . . . 1.0 109.324 -179.947 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 659' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' A' ' 655' ' ' GLN . 0.0 OUTLIER -64.39 -59.3 4.52 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.533 1.146 . . . . 1.0 110.246 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 660' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -67.92 65.66 0.09 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.569 1.168 . . . . 1.0 110.286 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 661' ' ' VAL . . . . . 0.545 ' O ' HG13 ' A' ' 661' ' ' VAL . 12.6 p -125.28 107.15 27.51 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 1.0 109.31 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 662' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 -178.92 4.48 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.508 1.794 . . . . 1.0 110.964 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 1.8 ttpm? -80.16 -65.24 1.03 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.528 1.142 . . . . 1.0 109.317 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 664' ' ' MET . . . . . . . . . . . . . 4.2 ttp -128.24 82.2 2.07 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.595 1.185 . . . . 1.0 110.998 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -156.35 177.69 11.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.089 . . . . 1.0 109.335 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 666' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 48.43 66.16 1.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.352 1.033 . . . . 1.0 109.342 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 9.7 mmtt 66.77 101.8 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 1.0 109.267 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 668' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -35.66 3.01 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.537 1.809 . . . . 1.0 110.968 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.21 162.23 32.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 1.0 110.24 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.062 0 CA-C-O 117.018 -1.468 . . . . 1.0 110.01 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 111.042 -0.823 . . . . 1.0 111.042 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 553' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -124.44 106.68 10.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 0.743 . . . . 1.0 110.02 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 554' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -157.46 164.9 36.95 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.601 1.188 . . . . 1.0 109.574 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 555' ' ' MET . . . . . . . . . . . . . 1.9 ptt? -97.54 147.02 24.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.573 1.17 . . . . 1.0 111.035 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . -75.5 -176.76 39.95 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.523 1.139 . . . . 1.0 111.039 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -144.27 62.81 1.33 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.597 0.822 . . . . 1.0 109.347 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 558' ' ' ASP . . . . . 0.508 ' O ' ' HD3' ' A' ' 585' ' ' PRO . 1.2 m-20 -155.1 107.1 2.67 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.435 1.084 . . . . 1.0 109.296 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 559' ' ' CYS . . . . . . . . . . . . . 47.6 t -69.23 142.32 54.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 1.0 108.224 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 560' ' ' ILE . . . . . 0.779 HD11 ' HA ' ' A' ' 585' ' ' PRO . 53.2 mt -84.29 -59.0 3.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 1.0 109.34 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 561' ' ' MET . . . . . 0.435 ' SD ' ' OE2' ' A' ' 646' ' ' GLU . 0.0 OUTLIER -143.84 129.22 18.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 1.0 110.983 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 562' ' ' HIS . . . . . 0.514 ' HA ' ' CZ2' ' A' ' 643' ' ' TRP . 0.2 OUTLIER -130.03 156.45 44.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 1.0 109.561 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 563' ' ' GLY . . . . . 0.566 ' CA ' ' CE1' ' A' ' 580' ' ' TYR . . . 166.82 -172.0 41.84 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.497 1.123 . . . . 1.0 111.054 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 564' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -100.25 122.21 42.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 0.775 . . . . 1.0 111.043 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 565' ' ' MET . . . . . 0.576 ' SD ' ' CD2' ' A' ' 643' ' ' TRP . 2.5 ptt? -153.21 140.37 19.42 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.519 1.137 . . . . 1.0 110.993 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 566' ' ' SER . . . . . 0.493 ' HB2' ' HA ' ' A' ' 578' ' ' ARG . 0.3 OUTLIER -93.16 153.77 18.45 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 1.0 110.001 179.945 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 567' ' ' LYS . . . . . 0.521 ' HD3' ' CD1' ' A' ' 630' ' ' PHE . 4.1 tmmm? -161.87 158.52 25.57 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.504 1.127 . . . . 1.0 109.373 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 568' ' ' MET . . . . . 0.425 ' N ' ' HD2' ' A' ' 567' ' ' LYS . 0.0 OUTLIER 167.41 167.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.593 1.183 . . . . 1.0 110.989 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 569' ' ' GLY . . . . . 0.451 ' O ' ' ND2' ' A' ' 570' ' ' ASN . . . -177.66 129.07 1.38 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.513 1.133 . . . . 1.0 110.969 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 570' ' ' ASN . . . . . 0.589 ' CB ' ' CD ' ' A' ' 571' ' ' PRO . 0.0 OUTLIER -165.91 -177.33 0.59 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.538 0.787 . . . . 1.0 109.263 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 571' ' ' PRO . . . . . 0.589 ' CD ' ' CB ' ' A' ' 570' ' ' ASN . 18.3 Cg_endo -75.01 2.4 6.67 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.454 1.765 . . . . 1.0 111.048 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 572' ' ' PHE . . . . . 0.571 ' CE2' ' HG2' ' A' ' 571' ' ' PRO . 3.5 m-85 -139.97 83.24 1.91 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.446 1.091 . . . . 1.0 110.899 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 573' ' ' LEU . . . . . 0.451 HD12 ' HA ' ' A' ' 573' ' ' LEU . 2.9 tp -86.04 81.29 8.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.534 1.146 . . . . 1.0 109.286 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 574' ' ' THR . . . . . 0.574 ' O ' HG23 ' A' ' 574' ' ' THR . 0.4 OUTLIER -138.33 11.4 2.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 1.0 110.325 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 575' ' ' GLN . . . . . 0.577 ' O ' ' CD1' ' A' ' 576' ' ' TRP . 14.4 pt20 -126.58 167.0 16.25 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.425 1.078 . . . . 1.0 110.329 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 576' ' ' TRP . . . . . 0.577 ' CD1' ' O ' ' A' ' 575' ' ' GLN . 4.9 m-90 -155.5 120.93 4.93 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.994 -1.113 . . . . 1.0 107.994 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 577' ' ' GLN . . . . . 0.422 ' O ' ' HB2' ' A' ' 566' ' ' SER . 63.1 mt-30 -134.78 121.69 21.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 1.0 110.28 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 578' ' ' ARG . . . . . 0.493 ' HA ' ' HB2' ' A' ' 566' ' ' SER . 0.0 OUTLIER -86.31 139.99 30.49 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.473 1.108 . . . . 1.0 110.214 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 579' ' ' ARG . . . . . 0.572 ' HB2' ' CE1' ' A' ' 581' ' ' PHE . 59.9 mtp180 -146.07 154.72 42.16 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.462 1.101 . . . . 1.0 110.277 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 580' ' ' TYR . . . . . 0.566 ' CE1' ' CA ' ' A' ' 563' ' ' GLY . 0.5 OUTLIER -97.98 118.44 34.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.433 1.083 . . . . 1.0 110.992 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 581' ' ' PHE . . . . . 0.674 ' CD1' ' HA ' ' A' ' 590' ' ' TRP . 12.9 m-30 -115.08 172.95 6.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.604 1.19 . . . . 1.0 110.929 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 582' ' ' TYR . . . . . 0.472 ' CA ' ' HH2' ' A' ' 643' ' ' TRP . 21.9 m-85 -136.03 124.02 22.82 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 1.0 110.999 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 583' ' ' LEU . . . . . 0.732 HD11 ' HG ' ' A' ' 647' ' ' LEU . 7.7 tp -88.45 111.82 22.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 1.0 109.305 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 584' ' ' PHE . . . . . 0.523 ' HB2' ' C ' ' A' ' 587' ' ' ARG . 7.1 m-85 -100.91 171.86 5.04 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.548 1.155 . . . . 1.0 110.979 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 585' ' ' PRO . . . . . 0.779 ' HA ' HD11 ' A' ' 560' ' ' ILE . 18.1 Cg_endo -75.09 15.36 0.76 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.555 1.818 . . . . 1.0 110.981 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 586' ' ' ASN . . . . . 0.704 ' HA ' ' CG ' ' A' ' 603' ' ' MET . 0.7 OUTLIER 176.39 -40.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 1.0 109.3 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 587' ' ' ARG . . . . . 0.62 ' HA ' ' HA ' ' A' ' 602' ' ' THR . 0.0 OUTLIER -86.38 -167.54 1.91 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 1.0 110.271 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 588' ' ' LEU . . . . . 0.576 HD12 ' C ' ' A' ' 588' ' ' LEU . 0.1 OUTLIER 179.0 106.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 1.0 109.307 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 589' ' ' GLU . . . . . 0.43 ' O ' ' HA ' ' A' ' 581' ' ' PHE . 0.0 OUTLIER -93.43 111.79 23.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.579 1.174 . . . . 1.0 110.285 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 590' ' ' TRP . . . . . 0.674 ' HA ' ' CD1' ' A' ' 581' ' ' PHE . 1.3 p-90 -112.04 99.67 8.26 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 107.984 -1.117 . . . . 1.0 107.984 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 1.9 mmt180 -132.19 169.63 16.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 1.0 110.282 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . 155.13 -140.19 7.2 Favored Glycine 0 CA--C 1.528 0.88 0 O-C-N 124.58 1.175 . . . . 1.0 111.02 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -78.09 170.52 16.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.396 0.703 . . . . 1.0 110.222 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . 84.34 -142.69 20.57 Favored Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.534 1.146 . . . . 1.0 110.97 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 595' ' ' GLU . . . . . 0.451 ' O ' ' HB2' ' A' ' 596' ' ' ALA . 0.5 OUTLIER -175.5 161.34 2.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 0.759 . . . . 1.0 110.325 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 596' ' ' ALA . . . . . 0.451 ' HB2' ' O ' ' A' ' 595' ' ' GLU . . . 178.38 158.55 0.61 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.431 1.082 . . . . 1.0 109.313 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 597' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.1 -22.04 15.06 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.54 1.811 . . . . 1.0 111.004 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 598' ' ' GLN . . . . . 0.53 ' HB3' ' CZ2' ' A' ' 590' ' ' TRP . 0.0 OUTLIER -101.58 149.38 24.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 1.0 110.332 179.924 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 599' ' ' SER . . . . . 0.518 ' O ' ' CD1' ' A' ' 590' ' ' TRP . 16.2 t -155.38 -45.06 0.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 1.0 109.985 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 600' ' ' LEU . . . . . 0.921 ' O ' HD13 ' A' ' 600' ' ' LEU . 0.0 OUTLIER -89.43 145.22 25.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 1.0 109.301 -179.932 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 601' ' ' LEU . . . . . 0.744 ' N ' HD22 ' A' ' 600' ' ' LEU . 44.3 tp -164.98 163.66 20.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.568 1.168 . . . . 1.0 109.244 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 602' ' ' THR . . . . . 0.62 ' HA ' ' HA ' ' A' ' 587' ' ' ARG . 0.0 OUTLIER -114.84 -166.18 1.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 1.0 110.49 179.94 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 603' ' ' MET . . . . . 0.785 ' SD ' ' HB1' ' A' ' 650' ' ' ALA . 0.2 OUTLIER -125.38 38.72 4.12 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.445 1.091 . . . . 1.0 111.025 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 604' ' ' GLU . . . . . 0.587 ' HB3' ' HB1' ' A' ' 654' ' ' ALA . 10.7 pt-20 -126.16 58.82 1.34 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.45 1.094 . . . . 1.0 110.31 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 605' ' ' GLU . . . . . 0.566 ' OE2' HD11 ' A' ' 601' ' ' LEU . 3.1 pt-20 -157.68 -52.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 1.0 110.238 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 606' ' ' ILE . . . . . 1.313 HG21 ' CD2' ' A' ' 651' ' ' TYR . 0.9 OUTLIER -36.66 134.1 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.478 1.111 . . . . 1.0 109.321 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 607' ' ' GLN . . . . . 0.643 ' HG2' ' CB ' ' A' ' 625' ' ' ARG . 0.1 OUTLIER -83.74 -41.25 17.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.091 . . . . 1.0 110.243 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 608' ' ' SER . . . . . 0.462 ' O ' ' CD ' ' A' ' 623' ' ' LYS . 3.4 m -176.63 132.72 0.21 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.432 1.083 . . . . 1.0 110.064 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 609' ' ' VAL . . . . . 0.786 HG22 ' CD ' ' A' ' 644' ' ' LYS . 9.6 p -98.05 150.44 4.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 1.0 109.302 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 610' ' ' GLU . . . . . 1.013 ' HB2' HD23 ' A' ' 621' ' ' LEU . 0.6 OUTLIER -162.41 -168.53 1.87 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.372 1.045 . . . . 1.0 110.404 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 611' ' ' GLU . . . . . 0.549 ' HA ' ' HA ' ' A' ' 620' ' ' LEU . 32.2 tt0 -145.09 148.72 33.97 Favored 'General case' 0 C--N 1.322 -0.6 0 O-C-N 124.643 1.215 . . . . 1.0 110.346 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 612' ' ' THR . . . . . 0.877 HG23 ' HG3' ' A' ' 618' ' ' LYS . 0.1 OUTLIER -115.82 166.31 12.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 1.0 110.337 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 613' ' ' GLN . . . . . 0.469 ' N ' ' HB3' ' A' ' 618' ' ' LYS . 10.9 mt-30 -134.09 156.55 48.06 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.47 1.106 . . . . 1.0 110.301 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 614' ' ' ILE . . . . . 0.749 HG22 ' O ' ' A' ' 614' ' ' ILE . 0.0 OUTLIER -140.29 85.29 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 1.0 109.296 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 615' ' ' LYS . . . . . 0.402 ' HB2' ' O ' ' A' ' 614' ' ' ILE . 11.4 mmtm 81.29 -35.71 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 1.0 109.295 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 616' ' ' GLU . . . . . 0.442 ' H ' ' C ' ' A' ' 614' ' ' ILE . 2.5 tt0 -156.12 -44.31 0.08 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.493 1.121 . . . . 1.0 110.277 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 2.7 ttm180 -154.7 136.15 14.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.101 . . . . 1.0 110.317 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 618' ' ' LYS . . . . . 0.877 ' HG3' HG23 ' A' ' 612' ' ' THR . 5.8 tptt -117.42 -95.33 0.48 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 1.0 109.299 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 619' ' ' CYS . . . . . 0.474 ' O ' ' CG ' ' A' ' 611' ' ' GLU . 6.9 m -158.96 -170.7 3.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.527 1.142 . . . . 1.0 108.335 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 620' ' ' LEU . . . . . 1.065 ' CD1' HD12 ' A' ' 640' ' ' LEU . 0.1 OUTLIER -104.26 143.32 33.12 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.464 1.102 . . . . 1.0 109.268 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 621' ' ' LEU . . . . . 1.013 HD23 ' HB2' ' A' ' 610' ' ' GLU . 5.7 tp -94.43 159.49 15.08 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.526 1.142 . . . . 1.0 109.261 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 622' ' ' LEU . . . . . 0.883 HD21 ' HE2' ' A' ' 651' ' ' TYR . 0.8 OUTLIER -162.96 85.66 0.53 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.556 1.16 . . . . 1.0 109.226 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 623' ' ' LYS . . . . . 0.462 ' CD ' ' O ' ' A' ' 608' ' ' SER . 0.0 OUTLIER -90.93 138.24 31.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 1.0 109.334 179.915 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 624' ' ' ILE . . . . . 0.963 HG22 ' H ' ' A' ' 626' ' ' GLY . 71.4 mt -103.94 143.38 15.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 1.0 109.334 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 625' ' ' ARG . . . . . 0.643 ' CB ' ' HG2' ' A' ' 607' ' ' GLN . 2.9 ptm180 -79.41 3.64 17.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.432 1.083 . . . . 1.0 110.254 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 626' ' ' GLY . . . . . 0.963 ' H ' HG22 ' A' ' 624' ' ' ILE . . . -88.12 -20.42 49.54 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.553 1.158 . . . . 1.0 111.008 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 116.14 41.14 0.78 Allowed Glycine 0 CA--C 1.529 0.935 0 N-CA-C 110.991 -0.844 . . . . 1.0 110.991 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 628' ' ' LYS . . . . . . . . . . . . . 1.2 mtmm -143.97 170.16 16.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 0.731 . . . . 1.0 109.263 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.61 135.11 26.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 1.0 110.339 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 630' ' ' PHE . . . . . 0.521 ' CD1' ' HD3' ' A' ' 567' ' ' LYS . 0.4 OUTLIER -125.07 166.91 15.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.15 . . . . 1.0 110.908 -179.954 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 631' ' ' ILE . . . . . 0.47 HG22 ' O ' ' A' ' 631' ' ' ILE . 0.2 OUTLIER -145.8 112.11 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.537 1.148 . . . . 1.0 109.294 179.872 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 632' ' ' LEU . . . . . 0.69 HD11 ' CD1' ' A' ' 622' ' ' LEU . 0.8 OUTLIER -83.28 152.77 24.99 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.095 . . . . 1.0 109.333 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 633' ' ' GLN . . . . . 0.472 ' HB2' ' SG ' ' A' ' 619' ' ' CYS . 3.0 tm0? -153.13 103.42 2.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 1.0 110.335 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 634' ' ' CYS . . . . . 0.588 ' HB2' HD23 ' A' ' 640' ' ' LEU . 8.7 t -116.51 164.06 15.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 1.0 108.221 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 635' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -88.1 -14.96 37.5 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.477 1.11 . . . . 1.0 109.299 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 636' ' ' SER . . . . . 0.472 ' CB ' ' HB2' ' A' ' 639' ' ' GLU . 0.4 OUTLIER -92.52 146.92 23.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 1.0 110.084 179.927 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 637' ' ' ASP . . . . . 0.622 ' N ' ' CD ' ' A' ' 638' ' ' PRO . 3.2 t0 -84.23 -45.12 0.75 Allowed Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.452 1.095 . . . . 1.0 109.255 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 638' ' ' PRO . . . . . 0.622 ' CD ' ' N ' ' A' ' 637' ' ' ASP . 18.6 Cg_endo -75.0 -52.76 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.517 1.799 . . . . 1.0 110.996 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 639' ' ' GLU . . . . . 0.55 ' C ' ' O ' ' A' ' 638' ' ' PRO . 23.2 mm-40 -25.54 -80.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.531 1.144 . . . . 1.0 110.249 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 640' ' ' LEU . . . . . 1.065 HD12 ' CD1' ' A' ' 620' ' ' LEU . 0.2 OUTLIER -50.47 -46.35 56.83 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.461 1.101 . . . . 1.0 109.285 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 641' ' ' VAL . . . . . 0.638 HG12 ' N ' ' A' ' 642' ' ' GLN . 0.9 OUTLIER -45.84 -59.17 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 1.0 109.304 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 642' ' ' GLN . . . . . 0.638 ' N ' HG12 ' A' ' 641' ' ' VAL . 0.1 OUTLIER -62.6 -39.98 95.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.433 1.083 . . . . 1.0 110.249 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 643' ' ' TRP . . . . . 0.835 ' C ' HD12 ' A' ' 647' ' ' LEU . 22.6 m95 -54.46 -46.88 73.41 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.982 -1.118 . . . . 1.0 107.982 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 644' ' ' LYS . . . . . 0.786 ' CD ' HG22 ' A' ' 609' ' ' VAL . 0.1 OUTLIER -57.4 -61.04 2.77 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.521 1.138 . . . . 1.0 109.363 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 645' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 644' ' ' LYS . 10.0 tmtt? -38.58 -57.89 1.11 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.58 1.175 . . . . 1.0 109.354 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 646' ' ' GLU . . . . . 0.711 ' CB ' HD23 ' A' ' 583' ' ' LEU . 0.7 OUTLIER -66.12 -35.49 80.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.561 1.163 . . . . 1.0 110.282 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 647' ' ' LEU . . . . . 0.835 HD12 ' C ' ' A' ' 643' ' ' TRP . 0.4 OUTLIER -66.03 -64.25 0.9 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 1.0 109.353 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 648' ' ' ARG . . . . . 0.552 ' N ' ' O ' ' A' ' 644' ' ' LYS . 0.2 OUTLIER -35.88 -57.87 0.66 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 1.0 110.311 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 649' ' ' ASP . . . . . 0.44 ' O ' ' N ' ' A' ' 653' ' ' GLU . 47.2 t0 -60.01 -43.23 95.37 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.555 1.16 . . . . 1.0 109.328 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 650' ' ' ALA . . . . . 0.785 ' HB1' ' SD ' ' A' ' 603' ' ' MET . . . -52.41 -51.2 60.32 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.536 1.148 . . . . 1.0 109.322 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 651' ' ' TYR . . . . . 1.313 ' CD2' HG21 ' A' ' 606' ' ' ILE . 21.3 m-30 -70.55 -28.63 65.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 1.0 110.976 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 652' ' ' ARG . . . . . 0.62 ' O ' ' HG2' ' A' ' 655' ' ' GLN . 4.4 mmm180 -75.99 -63.18 1.37 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.424 1.078 . . . . 1.0 110.352 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 653' ' ' GLU . . . . . 0.461 ' O ' ' HG ' ' A' ' 657' ' ' LEU . 3.6 tp10 -45.64 -30.65 1.6 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 1.0 110.302 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 654' ' ' ALA . . . . . 0.587 ' HB1' ' HB3' ' A' ' 604' ' ' GLU . . . -80.12 -53.78 6.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 1.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 655' ' ' GLN . . . . . 0.62 ' HG2' ' O ' ' A' ' 652' ' ' ARG . 6.3 pt20 -48.71 -42.17 34.13 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.468 1.105 . . . . 1.0 110.259 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 656' ' ' GLN . . . . . 0.551 ' NE2' HD23 ' A' ' 657' ' ' LEU . 0.0 OUTLIER -59.09 -16.07 17.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 1.0 110.363 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 657' ' ' LEU . . . . . 0.551 HD23 ' NE2' ' A' ' 656' ' ' GLN . 7.7 mt -86.17 -30.83 22.16 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.396 1.06 . . . . 1.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 658' ' ' VAL . . . . . 0.476 ' O ' HG13 ' A' ' 658' ' ' VAL . 0.3 OUTLIER -109.72 13.73 8.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 1.0 109.277 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 659' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' A' ' 661' ' ' VAL . 0.0 OUTLIER -61.56 -59.27 5.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.392 1.057 . . . . 1.0 110.306 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 660' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -68.29 65.81 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 1.0 110.263 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 661' ' ' VAL . . . . . 0.474 ' CG2' ' HD2' ' A' ' 662' ' ' PRO . 13.0 p -119.09 140.62 29.05 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 1.0 109.324 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 662' ' ' PRO . . . . . 0.474 ' HD2' ' CG2' ' A' ' 661' ' ' VAL . 18.7 Cg_endo -74.9 176.25 10.13 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.452 1.764 . . . . 1.0 111.08 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 6.8 ttpt -66.76 -77.75 0.07 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.564 1.165 . . . . 1.0 109.296 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 664' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -122.61 -25.64 4.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 1.0 111.034 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 665' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 666' ' ' ASN . 8.0 ttmm 177.21 127.68 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 1.0 109.258 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 666' ' ' ASN . . . . . 0.407 ' C ' ' O ' ' A' ' 665' ' ' LYS . 2.6 t30 39.71 56.12 2.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 1.0 109.337 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 5.4 ttmt -153.2 68.34 6.54 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 1.0 109.311 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 668' ' ' PRO . . . . . 0.437 ' HA ' ' HA ' ' A' ' 662' ' ' PRO . 18.1 Cg_endo -74.99 55.27 3.89 Favored 'Trans proline' 0 C--N 1.361 1.228 0 O-C-N 124.53 1.805 . . . . 1.0 110.979 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 6.1 ttp180 65.14 128.04 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 1.0 110.324 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 83.4 p . . . . . 0 C--O 1.249 1.068 0 CA-C-O 117.004 -1.474 . . . . 1.0 109.949 -179.975 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 111.023 -0.831 . . . . 1.0 111.023 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 553' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 178.07 78.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 0.746 . . . . 1.0 109.949 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 554' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -164.13 84.37 0.44 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 1.0 109.66 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 555' ' ' MET . . . . . . . . . . . . . 4.7 ptt? -156.55 145.77 20.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.618 1.199 . . . . 1.0 110.962 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . -97.78 -177.59 33.73 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.601 1.188 . . . . 1.0 111.015 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 557' ' ' LYS . . . . . 0.414 ' C ' ' HG2' ' A' ' 585' ' ' PRO . 0.0 OUTLIER -113.59 -20.14 11.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.446 0.733 . . . . 1.0 109.343 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 558' ' ' ASP . . . . . 0.674 ' O ' ' CZ ' ' A' ' 584' ' ' PHE . 23.2 p-10 -139.69 17.64 2.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 1.0 109.304 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 559' ' ' CYS . . . . . 0.591 ' CA ' ' HD3' ' A' ' 585' ' ' PRO . 4.7 t -170.44 124.31 0.7 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.625 1.203 . . . . 1.0 108.318 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 560' ' ' ILE . . . . . 0.625 HD11 ' HA ' ' A' ' 585' ' ' PRO . 39.2 mt -97.49 -64.62 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.148 . . . . 1.0 109.322 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 561' ' ' MET . . . . . 0.498 ' HB2' ' HG2' ' A' ' 646' ' ' GLU . 0.0 OUTLIER -152.94 138.88 18.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.584 1.178 . . . . 1.0 110.983 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 562' ' ' HIS . . . . . . . . . . . . . 4.6 p80 -128.32 153.64 46.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 1.0 109.572 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 563' ' ' GLY . . . . . . . . . . . . . . . 171.39 -176.5 44.63 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.452 1.095 . . . . 1.0 111.057 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 564' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -103.68 121.72 43.55 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.511 0.771 . . . . 1.0 111.004 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 565' ' ' MET . . . . . 0.618 ' SD ' ' CE2' ' A' ' 643' ' ' TRP . 2.6 ptm -150.95 152.68 33.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 1.0 111.04 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 566' ' ' SER . . . . . 0.476 ' OG ' ' O ' ' A' ' 633' ' ' GLN . 0.3 OUTLIER -102.52 136.69 41.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 1.0 109.972 -179.933 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 567' ' ' LYS . . . . . 0.643 ' HE2' ' CE1' ' A' ' 630' ' ' PHE . 0.1 OUTLIER -160.13 148.45 16.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.423 1.077 . . . . 1.0 109.357 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 568' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -162.72 167.43 23.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 1.0 110.949 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 569' ' ' GLY . . . . . 0.417 ' C ' ' CG ' ' A' ' 570' ' ' ASN . . . -165.33 119.07 0.84 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.541 1.151 . . . . 1.0 110.976 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 570' ' ' ASN . . . . . 0.581 ' CB ' ' CD ' ' A' ' 571' ' ' PRO . 0.0 OUTLIER -166.3 -178.06 0.66 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.464 0.744 . . . . 1.0 109.253 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 571' ' ' PRO . . . . . 0.581 ' CD ' ' CB ' ' A' ' 570' ' ' ASN . 18.3 Cg_endo -74.94 2.6 6.42 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.447 1.762 . . . . 1.0 110.997 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 572' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -136.57 87.15 2.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 1.0 111.021 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 1.3 tp -82.17 75.13 9.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.099 . . . . 1.0 109.277 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 574' ' ' THR . . . . . 0.638 ' O ' HG23 ' A' ' 574' ' ' THR . 0.6 OUTLIER -154.05 20.67 0.51 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.565 1.166 . . . . 1.0 110.34 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -134.0 95.15 3.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 1.0 110.188 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 576' ' ' TRP . . . . . . . . . . . . . 2.5 m0 -94.59 132.55 39.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 1.0 108.035 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 577' ' ' GLN . . . . . 0.42 ' O ' ' HB2' ' A' ' 566' ' ' SER . 0.2 OUTLIER -143.26 130.27 20.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 1.0 110.338 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 578' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -82.65 119.25 24.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.405 1.065 . . . . 1.0 110.306 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 579' ' ' ARG . . . . . 0.493 ' O ' ' O ' ' A' ' 565' ' ' MET . 10.3 mtm180 -131.73 161.65 32.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 1.0 110.344 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 580' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -89.58 123.63 33.82 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.533 1.146 . . . . 1.0 111.082 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 581' ' ' PHE . . . . . 0.614 ' CD2' HD11 ' A' ' 588' ' ' LEU . 2.6 m-85 -117.5 159.94 22.03 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.547 1.154 . . . . 1.0 111.044 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 582' ' ' TYR . . . . . 0.413 ' N ' ' O ' ' A' ' 589' ' ' GLU . 82.4 m-85 -139.15 122.64 17.27 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.507 1.129 . . . . 1.0 111.068 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 583' ' ' LEU . . . . . 0.855 HD23 ' HB3' ' A' ' 646' ' ' GLU . 6.1 tp -90.01 102.97 15.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 1.0 109.35 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 584' ' ' PHE . . . . . 0.674 ' CZ ' ' O ' ' A' ' 558' ' ' ASP . 0.2 OUTLIER -103.81 147.43 34.25 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.45 1.094 . . . . 1.0 110.981 -179.94 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 585' ' ' PRO . . . . . 0.625 ' HA ' HD11 ' A' ' 560' ' ' ILE . 18.2 Cg_endo -75.07 64.48 6.11 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.459 1.768 . . . . 1.0 110.931 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 586' ' ' ASN . . . . . 0.739 ' O ' HG22 ' A' ' 602' ' ' THR . 7.9 m-20 151.2 -31.04 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.445 1.091 . . . . 1.0 109.341 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 587' ' ' ARG . . . . . 0.543 ' HA ' ' HA ' ' A' ' 602' ' ' THR . 0.0 OUTLIER -142.6 -175.03 4.31 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.134 . . . . 1.0 110.411 179.937 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 588' ' ' LEU . . . . . 0.614 HD11 ' CD2' ' A' ' 581' ' ' PHE . 0.1 OUTLIER -158.9 123.92 4.2 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.46 1.1 . . . . 1.0 109.351 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 589' ' ' GLU . . . . . 0.423 ' N ' HD12 ' A' ' 588' ' ' LEU . 2.3 mt-10 -98.56 135.02 40.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.427 1.079 . . . . 1.0 110.308 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 590' ' ' TRP . . . . . 0.549 ' CD1' ' O ' ' A' ' 599' ' ' SER . 0.0 OUTLIER -140.36 99.15 3.58 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 107.941 -1.133 . . . . 1.0 107.941 -179.912 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 591' ' ' ARG . . . . . 0.414 ' HD3' ' HA ' ' A' ' 597' ' ' PRO . 0.0 OUTLIER -115.46 177.08 4.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 1.0 110.295 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . 144.93 -157.57 27.35 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.468 1.105 . . . . 1.0 110.991 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -79.45 161.27 26.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.451 0.736 . . . . 1.0 110.31 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . 59.91 145.34 0.01 OUTLIER Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.564 1.165 . . . . 1.0 110.967 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 595' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 75.63 174.76 0.23 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 0.785 . . . . 1.0 110.307 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . -82.24 158.39 66.8 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.394 1.059 . . . . 1.0 109.343 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 597' ' ' PRO . . . . . 0.414 ' HA ' ' HD3' ' A' ' 591' ' ' ARG . 18.2 Cg_endo -75.0 -14.23 21.19 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.459 1.768 . . . . 1.0 111.04 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 598' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.67 87.86 7.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.403 1.064 . . . . 1.0 110.308 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 599' ' ' SER . . . . . 0.549 ' O ' ' CD1' ' A' ' 590' ' ' TRP . 9.5 m -143.52 78.98 1.62 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.407 1.067 . . . . 1.0 110.001 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 1.9 pp -141.15 119.95 12.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 1.0 109.326 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -113.47 -170.85 1.77 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.104 . . . . 1.0 109.255 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 602' ' ' THR . . . . . 0.739 HG22 ' O ' ' A' ' 586' ' ' ASN . 0.2 OUTLIER -104.86 -157.58 0.62 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 1.0 110.348 -179.932 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 603' ' ' MET . . . . . 0.528 ' SD ' ' HA ' ' A' ' 586' ' ' ASN . 0.7 OUTLIER -126.52 20.59 7.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.14 . . . . 1.0 110.932 -179.946 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 604' ' ' GLU . . . . . 0.478 ' HB3' ' HB1' ' A' ' 654' ' ' ALA . 9.2 pt-20 -121.58 66.13 0.89 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 1.0 110.323 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 605' ' ' GLU . . . . . 0.409 ' HB2' HG23 ' A' ' 624' ' ' ILE . 3.2 pt-20 -158.6 -49.59 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 1.0 110.293 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 606' ' ' ILE . . . . . 1.239 HG21 ' CD2' ' A' ' 651' ' ' TYR . 1.1 mp -46.15 134.9 2.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.556 1.16 . . . . 1.0 109.273 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 607' ' ' GLN . . . . . 0.518 ' HG3' ' HA ' ' A' ' 625' ' ' ARG . 0.0 OUTLIER -88.3 -37.63 15.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 1.0 110.369 179.898 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 608' ' ' SER . . . . . 0.515 ' O ' ' CD ' ' A' ' 623' ' ' LYS . 0.8 OUTLIER -176.23 135.1 0.26 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 1.0 109.994 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 609' ' ' VAL . . . . . 0.946 HG22 ' CD ' ' A' ' 644' ' ' LYS . 4.1 p -107.38 142.44 20.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 1.0 109.255 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 610' ' ' GLU . . . . . 0.92 ' CD ' HD23 ' A' ' 621' ' ' LEU . 0.1 OUTLIER -163.92 173.7 12.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.579 1.174 . . . . 1.0 110.313 179.925 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 611' ' ' GLU . . . . . 0.604 ' HA ' ' HA ' ' A' ' 620' ' ' LEU . 20.4 tt0 -119.9 145.13 46.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 1.0 110.298 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 612' ' ' THR . . . . . 0.509 HG23 ' HB3' ' A' ' 618' ' ' LYS . 3.2 t -110.77 139.84 45.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.383 1.052 . . . . 1.0 110.452 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -111.58 158.27 19.41 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 1.0 110.298 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 614' ' ' ILE . . . . . 0.735 ' CG2' ' O ' ' A' ' 614' ' ' ILE . 0.0 OUTLIER -146.55 87.93 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 1.0 109.212 179.932 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 615' ' ' LYS . . . . . 0.444 ' CB ' ' O ' ' A' ' 614' ' ' ILE . 2.8 mttp 84.3 -36.97 0.06 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.155 . . . . 1.0 109.274 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 616' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -155.68 -50.24 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 1.0 110.307 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 617' ' ' ARG . . . . . 0.637 ' CZ ' ' OD1' ' A' ' 637' ' ' ASP . 10.4 ttt180 -161.73 133.37 5.48 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.548 1.155 . . . . 1.0 110.343 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 618' ' ' LYS . . . . . 0.534 ' CG ' HD13 ' A' ' 614' ' ' ILE . 0.6 OUTLIER -112.94 -101.95 0.41 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 1.0 109.236 -179.903 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 619' ' ' CYS . . . . . 0.667 ' SG ' ' CG ' ' A' ' 633' ' ' GLN . 0.0 OUTLIER -145.38 -161.31 1.28 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 1.0 108.21 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 620' ' ' LEU . . . . . 1.158 ' CD1' HD12 ' A' ' 640' ' ' LEU . 0.0 OUTLIER -114.51 156.96 23.64 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.499 1.124 . . . . 1.0 109.358 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 621' ' ' LEU . . . . . 0.92 HD23 ' CD ' ' A' ' 610' ' ' GLU . 0.4 OUTLIER -117.34 154.74 30.76 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.523 1.139 . . . . 1.0 109.3 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 622' ' ' LEU . . . . . 0.685 ' H ' HD12 ' A' ' 621' ' ' LEU . 5.9 mt -149.23 87.67 1.54 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 1.0 109.286 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 623' ' ' LYS . . . . . 0.515 ' CD ' ' O ' ' A' ' 608' ' ' SER . 0.0 OUTLIER -86.66 135.66 33.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.428 1.08 . . . . 1.0 109.244 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 624' ' ' ILE . . . . . 0.943 HG22 ' H ' ' A' ' 626' ' ' GLY . 71.8 mt -107.2 143.0 18.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.145 . . . . 1.0 109.234 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 625' ' ' ARG . . . . . 0.518 ' HA ' ' HG3' ' A' ' 607' ' ' GLN . 0.0 OUTLIER -77.9 2.71 16.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 1.0 110.291 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 626' ' ' GLY . . . . . 0.943 ' H ' HG22 ' A' ' 624' ' ' ILE . . . -85.39 -28.04 31.32 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.518 1.136 . . . . 1.0 110.997 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 129.68 -5.23 6.19 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.942 -0.863 . . . . 1.0 110.942 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 628' ' ' LYS . . . . . . . . . . . . . 8.4 mtmt -106.42 168.06 9.42 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.416 0.715 . . . . 1.0 109.228 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 21.3 mp0 -135.55 173.38 11.78 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.42 1.075 . . . . 1.0 110.306 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 630' ' ' PHE . . . . . 0.643 ' CE1' ' HE2' ' A' ' 567' ' ' LYS . 0.3 OUTLIER -152.61 160.59 43.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 1.0 111.036 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 631' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -140.91 114.33 5.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 1.0 109.294 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 632' ' ' LEU . . . . . 0.813 HD13 HD11 ' A' ' 640' ' ' LEU . 0.5 OUTLIER -84.4 149.2 26.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 1.0 109.246 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 633' ' ' GLN . . . . . 0.667 ' CG ' ' SG ' ' A' ' 619' ' ' CYS . 0.5 OUTLIER -154.72 104.77 2.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 1.0 110.346 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 634' ' ' CYS . . . . . 0.418 ' SG ' ' OE1' ' A' ' 639' ' ' GLU . 12.2 t -122.89 148.35 45.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 1.0 108.258 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 635' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.17 -6.21 37.73 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.544 1.153 . . . . 1.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 636' ' ' SER . . . . . 0.494 ' CB ' ' HB2' ' A' ' 639' ' ' GLU . 1.6 m -102.54 143.36 32.34 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.45 1.094 . . . . 1.0 109.978 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 637' ' ' ASP . . . . . 0.648 ' N ' ' CD ' ' A' ' 638' ' ' PRO . 0.4 OUTLIER -81.45 -43.7 1.12 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.567 1.167 . . . . 1.0 109.246 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 638' ' ' PRO . . . . . 0.648 ' CD ' ' N ' ' A' ' 637' ' ' ASP . 18.6 Cg_endo -75.0 -52.45 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.563 1.823 . . . . 1.0 111.007 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 639' ' ' GLU . . . . . 0.561 ' C ' ' O ' ' A' ' 638' ' ' PRO . 2.6 tt0 -25.21 -76.12 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.437 1.086 . . . . 1.0 110.345 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 640' ' ' LEU . . . . . 1.158 HD12 ' CD1' ' A' ' 620' ' ' LEU . 0.2 OUTLIER -53.56 -51.91 61.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 1.0 109.292 179.949 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 641' ' ' VAL . . . . . 0.637 HG12 ' N ' ' A' ' 642' ' ' GLN . 0.8 OUTLIER -41.3 -58.93 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.518 1.136 . . . . 1.0 109.351 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 642' ' ' GLN . . . . . 0.637 ' N ' HG12 ' A' ' 641' ' ' VAL . 0.0 OUTLIER -64.68 -42.16 95.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 1.0 110.231 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 643' ' ' TRP . . . . . 0.825 ' O ' HD12 ' A' ' 647' ' ' LEU . 11.2 m95 -52.25 -42.51 63.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 1.0 107.993 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 644' ' ' LYS . . . . . 0.946 ' CD ' HG22 ' A' ' 609' ' ' VAL . 0.0 OUTLIER -58.18 -59.35 5.44 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.465 1.103 . . . . 1.0 109.322 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 645' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 644' ' ' LYS . 7.9 tmtm? -39.18 -55.12 1.7 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.42 1.075 . . . . 1.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 646' ' ' GLU . . . . . 0.855 ' HB3' HD23 ' A' ' 583' ' ' LEU . 1.0 OUTLIER -64.98 -37.42 87.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 1.0 110.368 179.914 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 647' ' ' LEU . . . . . 0.825 HD12 ' O ' ' A' ' 643' ' ' TRP . 0.6 OUTLIER -64.69 -62.72 1.4 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.564 1.165 . . . . 1.0 109.347 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 648' ' ' ARG . . . . . 0.485 ' HG3' ' CG1' ' A' ' 609' ' ' VAL . 6.3 ttp180 -36.97 -50.84 0.9 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.363 1.039 . . . . 1.0 110.321 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 649' ' ' ASP . . . . . 0.435 ' O ' ' C ' ' A' ' 650' ' ' ALA . 43.3 t0 -64.23 -58.49 6.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 1.0 109.309 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 650' ' ' ALA . . . . . 0.513 ' O ' ' HB2' ' A' ' 603' ' ' MET . . . -37.42 -50.81 1.09 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.586 1.179 . . . . 1.0 109.349 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 651' ' ' TYR . . . . . 1.239 ' CD2' HG21 ' A' ' 606' ' ' ILE . 10.9 m-30 -69.95 -47.86 60.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 1.0 111.05 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 652' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' A' ' 655' ' ' GLN . 23.3 mtp180 -57.02 -62.52 1.69 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 1.0 110.297 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 653' ' ' GLU . . . . . 0.676 ' O ' HD13 ' A' ' 657' ' ' LEU . 0.3 OUTLIER -39.57 -54.54 1.98 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 1.0 110.307 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 654' ' ' ALA . . . . . 0.478 ' HB1' ' HB3' ' A' ' 604' ' ' GLU . . . -47.97 -45.27 31.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 1.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 655' ' ' GLN . . . . . 0.663 ' HA ' HG12 ' A' ' 658' ' ' VAL . 55.7 mt-30 -61.1 -67.87 0.36 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 1.0 110.248 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 656' ' ' GLN . . . . . 0.6 ' HG3' HD13 ' A' ' 657' ' ' LEU . 11.9 pt20 -50.77 -21.8 1.82 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 1.0 110.338 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 657' ' ' LEU . . . . . 0.676 HD13 ' O ' ' A' ' 653' ' ' GLU . 6.8 mp -86.43 -28.94 23.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.158 . . . . 1.0 109.312 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 658' ' ' VAL . . . . . 0.663 HG12 ' HA ' ' A' ' 655' ' ' GLN . 4.7 p -105.76 14.26 7.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 1.0 109.372 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 659' ' ' GLN . . . . . 0.453 ' O ' ' N ' ' A' ' 661' ' ' VAL . 0.6 OUTLIER -62.85 -58.5 7.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 1.0 110.24 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 660' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.84 66.19 0.09 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 1.0 110.335 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 661' ' ' VAL . . . . . 0.472 ' CG2' ' HD2' ' A' ' 662' ' ' PRO . 14.8 p -116.99 140.67 27.28 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 1.0 109.319 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 662' ' ' PRO . . . . . 0.472 ' HD2' ' CG2' ' A' ' 661' ' ' VAL . 18.1 Cg_endo -75.05 -171.52 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.543 1.812 . . . . 1.0 110.989 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -65.39 174.77 1.99 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.145 . . . . 1.0 109.299 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 664' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -80.88 59.19 3.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 1.0 111.057 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 665' ' ' LYS . . . . . 0.45 ' O ' ' CB ' ' A' ' 666' ' ' ASN . 0.1 OUTLIER -178.4 37.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 1.0 109.324 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 666' ' ' ASN . . . . . 0.45 ' CB ' ' O ' ' A' ' 665' ' ' LYS . 1.0 OUTLIER 79.51 -46.29 0.35 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 1.0 109.302 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 5.2 mttt -157.64 168.34 12.67 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 1.0 109.354 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 668' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -45.82 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.426 1.751 . . . . 1.0 111.015 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.75 -56.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.403 1.064 . . . . 1.0 110.317 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 10.7 t . . . . . 0 C--O 1.249 1.078 0 CA-C-O 117.048 -1.453 . . . . 1.0 110.116 -179.909 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.952 0 N-CA-C 111.025 -0.83 . . . . 1.0 111.025 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 553' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -176.99 105.57 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 0.74 . . . . 1.0 110.043 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 554' ' ' HIS . . . . . . . . . . . . . 4.4 t-160 -153.67 74.78 1.01 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.558 1.161 . . . . 1.0 109.598 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 555' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -158.69 -174.27 4.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 1.0 110.98 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . -50.83 173.91 0.1 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.474 1.109 . . . . 1.0 111.001 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 14.9 tttt -151.02 60.33 0.92 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.442 0.73 . . . . 1.0 109.312 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 558' ' ' ASP . . . . . 0.485 ' O ' ' HG3' ' A' ' 585' ' ' PRO . 0.4 OUTLIER -155.69 111.57 3.07 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.433 1.083 . . . . 1.0 109.34 179.934 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 559' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -67.99 142.57 55.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 1.0 108.224 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 560' ' ' ILE . . . . . 0.93 HD11 ' HA ' ' A' ' 585' ' ' PRO . 49.4 mt -75.49 -59.79 2.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 1.0 109.337 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 561' ' ' MET . . . . . 0.53 ' CE ' ' HB3' ' A' ' 642' ' ' GLN . 0.0 OUTLIER -137.02 142.52 42.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.1 . . . . 1.0 111.039 179.902 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 562' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -141.45 148.37 39.4 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.554 1.159 . . . . 1.0 109.601 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 563' ' ' GLY . . . . . . . . . . . . . . . 171.11 -171.36 43.88 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.485 1.115 . . . . 1.0 111.058 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 564' ' ' TYR . . . . . 0.411 ' HE1' ' CA ' ' A' ' 579' ' ' ARG . 0.8 OUTLIER -107.12 120.54 42.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 0.729 . . . . 1.0 110.899 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 565' ' ' MET . . . . . 0.597 ' O ' ' O ' ' A' ' 579' ' ' ARG . 1.8 ptt? -151.87 150.68 30.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 1.0 111.048 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 566' ' ' SER . . . . . 0.446 ' OG ' ' O ' ' A' ' 633' ' ' GLN . 0.2 OUTLIER -96.67 149.01 22.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 1.0 110.022 -179.931 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 567' ' ' LYS . . . . . 0.657 ' HE2' ' CD1' ' A' ' 630' ' ' PHE . 12.1 tttt -160.69 145.23 14.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 1.0 109.215 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 568' ' ' MET . . . . . 0.509 ' N ' ' HG2' ' A' ' 567' ' ' LYS . 51.1 tpp -172.55 160.21 4.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.396 1.06 . . . . 1.0 111.067 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 569' ' ' GLY . . . . . 0.401 ' O ' ' OD1' ' A' ' 570' ' ' ASN . . . -167.5 120.73 0.92 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.55 1.156 . . . . 1.0 111.014 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 570' ' ' ASN . . . . . 0.56 ' CB ' ' CD ' ' A' ' 571' ' ' PRO . 0.0 OUTLIER -165.31 -178.7 0.78 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.501 0.765 . . . . 1.0 109.238 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 571' ' ' PRO . . . . . 0.56 ' CD ' ' CB ' ' A' ' 570' ' ' ASN . 18.3 Cg_endo -75.04 17.5 0.59 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.357 1.714 . . . . 1.0 110.974 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 572' ' ' PHE . . . . . 0.502 ' CE2' ' HG2' ' A' ' 571' ' ' PRO . 7.2 m-85 -141.88 86.43 1.99 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 1.0 110.98 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -86.16 87.03 7.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 1.0 109.345 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 574' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -159.81 -25.71 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 1.0 110.369 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 575' ' ' GLN . . . . . 0.603 ' O ' ' CD1' ' A' ' 576' ' ' TRP . 19.0 pt20 -94.2 147.7 22.91 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.504 1.127 . . . . 1.0 110.339 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 576' ' ' TRP . . . . . 0.603 ' CD1' ' O ' ' A' ' 575' ' ' GLN . 3.9 m0 -146.5 130.38 17.18 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.022 -1.103 . . . . 1.0 108.022 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 577' ' ' GLN . . . . . 0.441 ' O ' ' HB2' ' A' ' 566' ' ' SER . 0.0 OUTLIER -135.0 128.25 32.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 1.0 110.296 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 578' ' ' ARG . . . . . 0.419 ' HA ' ' HB2' ' A' ' 566' ' ' SER . 0.0 OUTLIER -83.96 123.14 29.66 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.494 1.121 . . . . 1.0 110.353 179.942 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 579' ' ' ARG . . . . . 0.597 ' O ' ' O ' ' A' ' 565' ' ' MET . 2.4 mmt85 -136.32 166.52 23.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 1.0 110.278 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 580' ' ' TYR . . . . . 0.407 ' O ' ' HA ' ' A' ' 590' ' ' TRP . 0.5 OUTLIER -89.33 136.29 33.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 1.0 110.965 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 581' ' ' PHE . . . . . 0.585 ' CG ' ' HB3' ' A' ' 590' ' ' TRP . 0.6 OUTLIER -120.44 166.77 13.12 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.442 1.089 . . . . 1.0 111.008 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 582' ' ' TYR . . . . . 0.436 ' O ' ' HA ' ' A' ' 588' ' ' LEU . 0.4 OUTLIER -146.7 114.2 6.35 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.513 1.133 . . . . 1.0 111.051 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 583' ' ' LEU . . . . . 0.827 HD21 ' HG ' ' A' ' 647' ' ' LEU . 5.7 tp -90.28 109.05 20.16 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.591 1.182 . . . . 1.0 109.343 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 584' ' ' PHE . . . . . 0.475 ' C ' ' H ' ' A' ' 586' ' ' ASN . 0.5 OUTLIER -98.16 162.83 20.76 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.524 1.14 . . . . 1.0 110.956 -179.922 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 585' ' ' PRO . . . . . 0.93 ' HA ' HD11 ' A' ' 560' ' ' ILE . 18.4 Cg_endo -74.96 37.2 0.46 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.473 1.775 . . . . 1.0 111.064 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 586' ' ' ASN . . . . . 0.746 ' O ' ' HG3' ' A' ' 603' ' ' MET . 12.9 m-20 167.16 -48.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.424 1.077 . . . . 1.0 109.335 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 587' ' ' ARG . . . . . 0.607 ' HA ' ' HA ' ' A' ' 602' ' ' THR . 0.0 OUTLIER -98.88 -168.28 1.61 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.562 1.164 . . . . 1.0 110.309 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 588' ' ' LEU . . . . . 0.767 ' C ' HD12 ' A' ' 588' ' ' LEU . 0.0 OUTLIER 174.53 119.51 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.604 1.19 . . . . 1.0 109.325 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 589' ' ' GLU . . . . . 0.529 ' N ' HD12 ' A' ' 588' ' ' LEU . 1.1 pt-20 -131.79 173.07 11.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 1.0 110.297 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 590' ' ' TRP . . . . . 0.585 ' HB3' ' CG ' ' A' ' 581' ' ' PHE . 2.7 p-90 -151.11 132.0 14.18 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.542 1.151 . . . . 1.0 107.999 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.48 -178.05 5.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.573 1.17 . . . . 1.0 110.341 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . 138.7 -140.05 10.72 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.535 1.147 . . . . 1.0 111.014 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -82.06 164.87 21.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 0.796 . . . . 1.0 110.272 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 594' ' ' GLY . . . . . 0.4 ' O ' ' CB ' ' A' ' 595' ' ' GLU . . . 76.94 -54.36 3.44 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.408 1.068 . . . . 1.0 110.931 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 595' ' ' GLU . . . . . 0.4 ' CB ' ' O ' ' A' ' 594' ' ' GLY . 0.6 OUTLIER 79.22 177.93 0.12 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.463 0.743 . . . . 1.0 110.332 -179.94 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . -160.11 157.89 25.62 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 1.0 109.294 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 597' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.12 -23.07 13.96 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.484 1.781 . . . . 1.0 110.922 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 598' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -154.7 119.44 4.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.366 1.041 . . . . 1.0 110.33 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 599' ' ' SER . . . . . 0.463 ' HB2' ' CD1' ' A' ' 590' ' ' TRP . 81.6 p -149.27 44.55 0.96 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.448 1.093 . . . . 1.0 109.94 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 600' ' ' LEU . . . . . 0.723 HD13 ' C ' ' A' ' 600' ' ' LEU . 2.0 tm? -139.57 102.39 4.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 1.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -127.7 168.77 14.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.152 . . . . 1.0 109.216 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 602' ' ' THR . . . . . 0.607 ' HA ' ' HA ' ' A' ' 587' ' ' ARG . 0.2 OUTLIER -109.01 -146.52 0.4 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 1.0 110.37 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 603' ' ' MET . . . . . 0.883 ' SD ' ' HB2' ' A' ' 654' ' ' ALA . 0.0 OUTLIER -136.75 26.79 3.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 1.0 110.977 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -125.06 56.76 1.32 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 1.0 110.326 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 605' ' ' GLU . . . . . 0.639 ' HB2' HG23 ' A' ' 624' ' ' ILE . 2.8 pt-20 -158.26 -58.58 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 1.0 110.226 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 606' ' ' ILE . . . . . 1.206 HG21 ' CD2' ' A' ' 651' ' ' TYR . 1.3 mp -33.43 133.71 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 1.0 109.277 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 607' ' ' GLN . . . . . 0.468 ' CG ' ' CB ' ' A' ' 625' ' ' ARG . 0.0 OUTLIER -88.85 -37.07 15.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.57 1.168 . . . . 1.0 110.199 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -174.52 137.41 0.49 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 1.0 109.969 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 609' ' ' VAL . . . . . 0.942 HG22 ' CD ' ' A' ' 644' ' ' LYS . 3.6 p -106.36 141.79 20.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.595 1.184 . . . . 1.0 109.343 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 610' ' ' GLU . . . . . 0.788 ' HG3' HD23 ' A' ' 621' ' ' LEU . 0.4 OUTLIER -159.1 -165.85 1.7 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 1.0 110.273 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 611' ' ' GLU . . . . . 0.534 ' HA ' ' HA ' ' A' ' 620' ' ' LEU . 21.4 tt0 -146.23 144.65 30.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 1.0 110.254 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 612' ' ' THR . . . . . 0.808 HG23 ' HG3' ' A' ' 618' ' ' LYS . 0.0 OUTLIER -106.58 164.81 11.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 1.0 110.404 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -129.53 161.68 29.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.408 1.068 . . . . 1.0 110.274 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 614' ' ' ILE . . . . . 0.764 HG22 ' O ' ' A' ' 614' ' ' ILE . 0.0 OUTLIER -146.42 83.28 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.579 1.174 . . . . 1.0 109.299 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 615' ' ' LYS . . . . . 0.451 ' HB3' ' O ' ' A' ' 614' ' ' ILE . 1.7 ttpm? 81.28 -31.97 0.11 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.503 1.127 . . . . 1.0 109.305 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 616' ' ' GLU . . . . . 0.448 ' H ' ' C ' ' A' ' 614' ' ' ILE . 2.2 tt0 -156.56 -48.55 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.422 1.076 . . . . 1.0 110.309 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 617' ' ' ARG . . . . . 0.588 ' CZ ' ' OD1' ' A' ' 637' ' ' ASP . 1.9 ttt180 -157.74 137.81 12.5 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.437 1.086 . . . . 1.0 110.307 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 618' ' ' LYS . . . . . 0.808 ' HG3' HG23 ' A' ' 612' ' ' THR . 8.6 tptt -115.67 -96.5 0.46 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.59 1.181 . . . . 1.0 109.237 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 619' ' ' CYS . . . . . 0.499 ' O ' ' CG ' ' A' ' 611' ' ' GLU . 1.7 m -158.2 -174.87 5.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.559 1.162 . . . . 1.0 108.264 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 620' ' ' LEU . . . . . 1.048 HD13 ' CD1' ' A' ' 640' ' ' LEU . 0.2 OUTLIER -95.91 153.37 17.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.396 1.06 . . . . 1.0 109.298 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 621' ' ' LEU . . . . . 0.788 HD23 ' HG3' ' A' ' 610' ' ' GLU . 1.1 tp -112.36 157.54 20.88 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.543 1.152 . . . . 1.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 622' ' ' LEU . . . . . 0.917 ' CD1' HD11 ' A' ' 632' ' ' LEU . 9.0 mt -154.87 86.66 1.12 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 1.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 623' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.43 135.21 33.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.552 1.157 . . . . 1.0 109.328 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 624' ' ' ILE . . . . . 0.986 HG22 ' H ' ' A' ' 626' ' ' GLY . 36.3 mt -104.42 142.21 18.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.445 1.091 . . . . 1.0 109.262 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 625' ' ' ARG . . . . . 0.468 ' CB ' ' CG ' ' A' ' 607' ' ' GLN . 0.4 OUTLIER -78.8 3.55 16.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 1.0 110.349 179.892 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 626' ' ' GLY . . . . . 0.986 ' H ' HG22 ' A' ' 624' ' ' ILE . . . -88.03 -25.25 32.24 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.501 1.126 . . . . 1.0 111.018 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 121.26 40.66 0.54 Allowed Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.987 -0.845 . . . . 1.0 110.987 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 628' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.53 172.5 13.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 0.789 . . . . 1.0 109.268 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 5.2 mp0 -144.73 152.69 40.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 1.0 110.311 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 630' ' ' PHE . . . . . 0.657 ' CD1' ' HE2' ' A' ' 567' ' ' LYS . 0.8 OUTLIER -136.37 159.75 40.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 1.0 110.961 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 631' ' ' ILE . . . . . 0.534 ' O ' HG22 ' A' ' 631' ' ' ILE . 0.2 OUTLIER -144.68 108.29 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.613 1.195 . . . . 1.0 109.295 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 632' ' ' LEU . . . . . 0.917 HD11 ' CD1' ' A' ' 622' ' ' LEU . 0.6 OUTLIER -84.07 151.76 24.76 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.389 1.055 . . . . 1.0 109.296 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 633' ' ' GLN . . . . . 0.497 ' HB2' ' SG ' ' A' ' 619' ' ' CYS . 52.2 tt0 -148.86 100.62 3.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.098 . . . . 1.0 110.339 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 634' ' ' CYS . . . . . . . . . . . . . 5.5 t -115.39 159.86 20.58 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.545 1.153 . . . . 1.0 108.317 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 635' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -82.94 -16.35 47.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 1.0 109.362 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 636' ' ' SER . . . . . 0.602 ' HB2' ' HB2' ' A' ' 639' ' ' GLU . 13.4 m -92.95 150.81 20.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 1.0 110.011 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 637' ' ' ASP . . . . . 0.677 ' N ' ' CD ' ' A' ' 638' ' ' PRO . 0.4 OUTLIER -90.13 -41.96 0.41 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 1.0 109.275 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 638' ' ' PRO . . . . . 0.677 ' CD ' ' N ' ' A' ' 637' ' ' ASP . 18.5 Cg_endo -75.02 -54.91 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.541 1.811 . . . . 1.0 110.99 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 639' ' ' GLU . . . . . 0.602 ' HB2' ' HB2' ' A' ' 636' ' ' SER . 74.0 mm-40 -24.8 -79.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 1.0 110.297 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 640' ' ' LEU . . . . . 1.048 ' CD1' HD13 ' A' ' 620' ' ' LEU . 0.1 OUTLIER -50.15 -47.82 54.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.405 1.066 . . . . 1.0 109.278 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 641' ' ' VAL . . . . . 0.617 HG12 ' N ' ' A' ' 642' ' ' GLN . 0.8 OUTLIER -44.94 -57.88 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 1.0 109.337 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 642' ' ' GLN . . . . . 0.617 ' N ' HG12 ' A' ' 641' ' ' VAL . 0.8 OUTLIER -63.07 -38.94 93.17 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.53 1.144 . . . . 1.0 110.324 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 643' ' ' TRP . . . . . 0.891 ' C ' HD12 ' A' ' 647' ' ' LEU . 14.8 m95 -55.23 -47.16 75.78 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 107.948 -1.131 . . . . 1.0 107.948 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 644' ' ' LYS . . . . . 0.942 ' CD ' HG22 ' A' ' 609' ' ' VAL . 1.8 ttpt -54.69 -56.52 18.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 1.0 109.302 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 645' ' ' LYS . . . . . 0.405 ' HD3' ' C ' ' A' ' 645' ' ' LYS . 0.1 OUTLIER -41.02 -52.07 3.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 1.0 109.242 -179.91 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 646' ' ' GLU . . . . . 0.637 ' CG ' HG22 ' A' ' 560' ' ' ILE . 0.2 OUTLIER -71.02 -31.45 67.94 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.513 1.133 . . . . 1.0 110.256 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 647' ' ' LEU . . . . . 0.891 HD12 ' C ' ' A' ' 643' ' ' TRP . 0.5 OUTLIER -70.77 -61.86 1.61 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.548 1.155 . . . . 1.0 109.249 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 648' ' ' ARG . . . . . 0.533 ' N ' ' O ' ' A' ' 644' ' ' LYS . 7.4 ttp180 -39.0 -54.28 1.69 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.452 1.095 . . . . 1.0 110.341 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 649' ' ' ASP . . . . . 0.42 ' O ' ' N ' ' A' ' 653' ' ' GLU . 0.2 OUTLIER -61.86 -51.44 68.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 1.0 109.319 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 650' ' ' ALA . . . . . 0.505 ' O ' ' SD ' ' A' ' 603' ' ' MET . . . -43.96 -51.05 7.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.145 . . . . 1.0 109.339 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 651' ' ' TYR . . . . . 1.206 ' CD2' HG21 ' A' ' 606' ' ' ILE . 12.4 m-30 -71.01 -41.52 70.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 1.0 110.953 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 652' ' ' ARG . . . . . 0.465 ' O ' ' N ' ' A' ' 655' ' ' GLN . 2.5 mmt180 -60.62 -63.34 1.33 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.411 1.069 . . . . 1.0 110.295 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 653' ' ' GLU . . . . . 0.65 ' O ' HD13 ' A' ' 657' ' ' LEU . 1.5 mp0 -40.3 -53.11 2.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 1.0 110.361 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 654' ' ' ALA . . . . . 0.883 ' HB2' ' SD ' ' A' ' 603' ' ' MET . . . -48.48 -42.35 32.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 1.0 109.222 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 655' ' ' GLN . . . . . 0.571 ' HA ' HG12 ' A' ' 658' ' ' VAL . 27.1 mt-30 -63.73 -67.86 0.39 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.489 1.118 . . . . 1.0 110.281 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 656' ' ' GLN . . . . . 0.568 ' HG3' HD13 ' A' ' 657' ' ' LEU . 10.7 pt20 -50.99 -22.2 2.16 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.512 1.133 . . . . 1.0 110.246 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 657' ' ' LEU . . . . . 0.65 HD13 ' O ' ' A' ' 653' ' ' GLU . 7.7 mp -86.95 -29.06 22.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 1.0 109.294 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 658' ' ' VAL . . . . . 0.571 HG12 ' HA ' ' A' ' 655' ' ' GLN . 0.8 OUTLIER -106.33 16.01 6.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.568 1.168 . . . . 1.0 109.317 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 659' ' ' GLN . . . . . 0.465 ' N ' ' O ' ' A' ' 655' ' ' GLN . 0.0 OUTLIER -84.71 46.78 1.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 1.0 110.31 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 660' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -86.72 15.8 5.36 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.509 1.131 . . . . 1.0 110.216 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 661' ' ' VAL . . . . . 0.462 ' O ' HG13 ' A' ' 661' ' ' VAL . 8.8 p -95.06 116.9 66.79 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.451 1.095 . . . . 1.0 109.324 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 662' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 139.13 23.9 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.559 1.821 . . . . 1.0 111.006 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 20.9 ttpp -70.53 -64.57 0.87 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 1.0 109.29 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 664' ' ' MET . . . . . . . . . . . . . 1.7 mtp -66.69 162.98 20.04 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.482 1.113 . . . . 1.0 110.994 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 3.8 mtpt -71.69 77.16 0.84 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 1.0 109.232 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 666' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -99.08 56.19 1.03 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.577 1.173 . . . . 1.0 109.198 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . 0.507 ' CB ' ' HD3' ' A' ' 668' ' ' PRO . 0.2 OUTLIER -81.75 -59.64 0.43 Allowed Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.49 1.118 . . . . 1.0 109.305 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 668' ' ' PRO . . . . . 0.507 ' HD3' ' CB ' ' A' ' 667' ' ' LYS . 18.4 Cg_endo -75.05 -30.36 7.17 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.425 1.75 . . . . 1.0 110.991 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 73.81 -57.61 0.62 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.428 1.08 . . . . 1.0 110.296 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.103 0 CA-C-O 117.023 -1.465 . . . . 1.0 109.986 179.976 . . . . . . . . 1 1 . 1 stop_ save_